LeMaterial
/
LeMat-Bulk
elements
listlengths
1
9
nsites
int32
1
444
chemical_formula_anonymous
stringlengths
1
18
chemical_formula_reduced
stringlengths
1
23
chemical_formula_descriptive
stringlengths
2
34
nelements
int8
1
9
dimension_types
listlengths
3
3
nperiodic_dimensions
int8
3
3
lattice_vectors
listlengths
3
3
immutable_id
stringlengths
4
13
⌀
cartesian_site_positions
listlengths
1
444
species
stringlengths
138
1.25k
species_at_sites
listlengths
1
444
last_modified
stringlengths
19
19
elements_ratios
listlengths
1
9
stress_tensor
listlengths
0
3
energy
float64
-2,749.01
5.19k
magnetic_moments
listlengths
0
444
forces
listlengths
0
444
total_magnetization
float64
-340.3
383
⌀
dos_ef
float64
-14.23
392
⌀
functional
stringclasses
1 value
cross_compatibility
bool
1 class
entalpic_fingerprint
stringlengths
37
62
⌀
[ "Na", "Se", "Zn", "Zr" ]
12
A3BCD
NaSe3ZnZr
Na1 Se3 Zn1 Zr1
4
[ 1, 1, 1 ]
3
[ [ 1.92288006, -7.056532836, 0 ], [ 1.92288006, 7.056532836, 0 ], [ 0, 0, 10.410482431 ] ]
oqmd-4869962
[ [ 1.9228800000000004, 3.386620000000006, 2.6026199999999964 ], [ 1.9228800000000004, -3.3866200000000064, 7.807859999999998 ], [ 1.9228800000000008, -5.167689999999997, 0.6260200000000004 ], [ 1.9228800000000004, -1.1642599999999994, 2.6026199999999964 ], [ 1.9228800000000008, -5.167689999999997, 4.579220000000004 ], [ 1.9228800000000008, 5.167689999999997, 5.831260000000002 ], [ 1.9228800000000008, 1.1642599999999994, 7.807859999999998 ], [ 1.9228800000000008, 5.167689999999997, 9.784459999999996 ], [ 1.9228800000000008, -6.614240000000002, 2.6026199999999964 ], [ 1.9228800000000008, 6.6142400000000015, 7.807859999999998 ], [ 1.9228800000000004, 5.673336184025287e-17, 0 ], [ 1.9228800000000004, 5.673336184025287e-17, 5.2052400000000025 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Na", "Na", "Se", "Se", "Se", "Se", "Se", "Se", "Zn", "Zn", "Zr", "Zr" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]
[ [ 2.94483784, 0, 0 ], [ 0, 0.68991762, 0 ], [ 0, 0, 4.09433501 ] ]
-55.0824
[ 0.005, 0.005, 0.001, 0.006, 0.001, 0.001, 0.006, 0.001, 0.008, 0.008, 0.482, 0.485 ]
[ [ 0, -0.004721, 0 ], [ 0, 0.004721, 0 ], [ 0, -0.030302, -0.011876 ], [ 0, -0.010626, 0 ], [ 0, -0.030302, 0.011876 ], [ 0, 0.030302, -0.011876 ], [ 0, 0.010626, 0 ], [ 0, 0.030302, 0.011876 ], [ 0, -0.00028, 0 ], [ 0, 0.00028, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.62086
null
pbe
true
0a9d90e62636761dcaffe8e4e3cf2d0c_63_Na2Zr2Zn2Se6
[ "Na", "Sn", "Tb", "Te" ]
12
A3BCD
NaSnTbTe3
Na1 Sn1 Tb1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.299039206, -7.565663079, 0 ], [ 2.299039206, 7.565663079, 0 ], [ 0, 0, 11.438271318 ] ]
oqmd-7476591
[ [ 2.29904, -4.10656, 2.85957 ], [ 2.29904, 4.106559999999999, 8.5787 ], [ 2.29904, 0.22704999999999909, 2.85957 ], [ 2.29904, -0.2270500000000007, 8.5787 ], [ 0, 0, 0 ], [ 0, 0, 5.71914 ], [ 2.29904, 2.121469999999998, 0.53595 ], [ 2.29904, 5.832719999999998, 2.85957 ], [ 2.29904, 2.121469999999998, 5.18318 ], [ 2.29904, -2.1214700000000004, 6.25509 ], [ 2.29904, -5.83272, 8.5787 ], [ 2.29904, -2.1214700000000004, 10.90232 ] ]
[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Na", "Na", "Sn", "Sn", "Tb", "Tb", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 4.82828229, 0, 0 ], [ 0, 4.08674796, 0 ], [ 0, 0, 4.96816571 ] ]
-47.4146
[ 0, 0, 0, 0, -0.001, -0.001, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.016601, 0 ], [ 0, -0.016601, 0 ], [ 0, -0.049449, 0 ], [ 0, 0.049449, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00315, 0.00526 ], [ 0, 0.021449, 0 ], [ 0, 0.00315, -0.00526 ], [ 0, -0.00315, 0.00526 ], [ 0, -0.021449, 0 ], [ 0, -0.00315, -0.00526 ] ]
0.00324
null
pbe
true
cd7fa2958f1a417e823321beb74d39f4_63_Na2Tb2Sn2Te6
[ "Co", "Ir", "Pa", "Si" ]
6
A2B2CD
CoIr2PaSi2
Pa1 Co1 Si2 Ir2
4
[ 1, 1, 1 ]
3
[ [ 4.29458059, 0, 0 ], [ 0, 4.29458059, 0 ], [ 0, 0, 5.32506337 ] ]
agm004748562
[ [ 0, 0, 2.662531685 ], [ 0, 0, 0 ], [ 2.147290295, 0, 0 ], [ 0, 2.147290295, 0 ], [ 2.147290295, 2.147290295, 3.942287337511851 ], [ 2.147290295, 2.147290295, 1.3827760324881493 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pa", "Co", "Si", "Si", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]
[ [ 2.275402, 0, 0 ], [ 0, 2.275402, 0 ], [ 0, 0, 2.8033097 ] ]
-47.57238
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01303679 ], [ 0, 0, -0.01303679 ] ]
0.000024
3.180132
pbe
true
7040ce6734ccaa4cb30bd411357aa499_123_Pa1Co1Si2Ir2
[ "Co", "K", "S", "Ta" ]
12
A3BCD
CoKS3Ta
Co1 K1 S3 Ta1
4
[ 1, 1, 1 ]
3
[ [ 1.721762057, -7.350744688, 0 ], [ 1.721762057, 7.350744688, 0 ], [ 0, 0, 9.308325927 ] ]
oqmd-8712994
[ [ 1.7217600000000002, 0.4089999999999999, 2.32708 ], [ 1.7217600000000002, -0.4089999999999998, 6.98124 ], [ 1.72176, -3.63413, 2.32708 ], [ 1.72176, 3.63413, 6.98124 ], [ 1.72176, 1.7405499999999994, 0.53469 ], [ 1.7217600000000002, 6.369950000000001, 2.32708 ], [ 1.72176, 1.7405499999999994, 4.11947 ], [ 1.72176, -1.7405499999999996, 5.18886 ], [ 1.7217600000000002, -6.369950000000001, 6.98124 ], [ 1.72176, -1.7405499999999996, 8.77363 ], [ 0, 0, 0 ], [ 0, 0, 4.65416 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Co", "Co", "K", "K", "S", "S", "S", "S", "S", "S", "Ta", "Ta" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 8.89174961, 0, 0 ], [ 0, 8.50348757, 0 ], [ 0, 0, 5.5510198 ] ]
-76.2639
[ 0.984, 0.984, 0.001, 0.001, 0.023, 0.056, 0.023, 0.023, 0.056, 0.023, -0.099, -0.091 ]
[ [ 0, -0.039063, 0 ], [ 0, 0.039063, 0 ], [ 0, 0.01866, 0 ], [ 0, -0.01866, 0 ], [ 0, -0.043212, 0.015904 ], [ 0, 0.015138, 0 ], [ 0, -0.043212, -0.015904 ], [ 0, 0.043212, 0.015904 ], [ 0, -0.015138, 0 ], [ 0, 0.043212, -0.015904 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.04513
null
pbe
true
1a0134566e53e8b5079777cc59d6d02e_63_K2Ta2Co2S6
[ "Cr", "K", "O", "S" ]
44
A7B2CD
CrK2O7S
K8 Cr4 S4 O28
4
[ 1, 1, 1 ]
3
[ [ 7.52317716, 0, 0 ], [ 0, 7.52611063, 0.06258268 ], [ 0, 0.44443927, 13.22538948 ] ]
agm003276598
[ [ 4.64139729111954, 4.890660956617991, 4.591477794859579 ], [ 5.851267570204208, 2.41040102597049, 1.8173784408645317 ], [ 0.8798087111195388, 6.620724623382009, 2.1150909651404204 ], [ 5.433498169795792, 6.39567597597049, 8.461364520864532 ], [ 1.6719095897957916, 5.56014887402951, 11.470593719135469 ], [ 2.0896789902042086, 1.5748739240295098, 4.826607639135468 ], [ 2.8817798688804612, 3.0798889433820094, 8.69649436514042 ], [ 6.643368448880461, 1.3498252766179906, 11.172881194859581 ], [ 5.03700363730991, 6.203528003313633, 1.097503083362019 ], [ 2.48617352269009, 1.7670218966863669, 12.190469076637982 ], [ 1.2754150573099106, 5.307857576686366, 5.609065676637981 ], [ 6.24776210269009, 2.662692323313633, 7.678906483362019 ], [ 2.140504672315909, 2.994162209587114, 1.561418877274098 ], [ 5.902093252315909, 0.9911127404128852, 5.082567202725902 ], [ 5.382672487684091, 4.976387690412886, 11.726553282725902 ], [ 1.6210839076840908, 6.979437159587114, 8.205404957274098 ], [ 2.1243484236694945, 6.313567413629599, 4.637354249606145 ], [ 6.89485028094585, 0.6399882929276927, 4.063869547661995 ], [ 6.796178997659067, 1.7428452908828314, 6.1964785197322065 ], [ 1.1594294827164744, 2.0088784056866955, 2.038628331380071 ], [ 6.012169446481937, 7.4447370378994355, 0.6670818570022616 ], [ 5.885937003669494, 5.197818166370401, 2.0692145103938553 ], [ 3.133261700945849, 3.345286657072307, 2.580116532338005 ], [ 1.511007713518063, 0.5258128621005632, 12.62089030299774 ], [ 0.0371307161049516, 3.212992422938498, 8.450895210608532 ], [ 4.488586742340933, 5.728120240882831, 12.840464599732208 ], [ 5.290144029011992, 7.366752885843789, 5.8102873429813355 ], [ 0.6283268790541512, 7.330561607072307, 9.224102612338005 ], [ 1.5285554490119917, 4.14463269415621, 0.8962814170186645 ], [ 2.6021590972835256, 5.994153355686695, 8.68261441138007 ], [ 5.272596293518063, 3.903901357899437, 7.248485257002261 ], [ 2.2330331309880083, 0.6037970141562099, 7.477684817018664 ], [ 7.486046443895049, 4.757557477061503, 4.8370769493914665 ], [ 0.7269981623409337, 6.227704609117168, 7.091493640267794 ], [ 3.798719296104952, 1.2167217970615019, 11.418480349391467 ], [ 4.921018062716475, 1.9763965443133042, 4.605357748619928 ], [ 5.398828736330506, 1.6569824863704012, 8.650617910393855 ], [ 5.9946217109880084, 3.82591720584379, 12.391690742981336 ], [ 3.724457863895049, 6.753828102938497, 1.8694918106085332 ], [ 4.389915459054151, 4.6252632429276925, 10.707855627661996 ], [ 3.0345904176590666, 2.2424296591171684, 0.4475075602677936 ], [ 2.250580866481937, 4.066648542100563, 6.039486902997739 ], [ 6.363747677283526, 5.961671494313305, 11.24934382861993 ], [ 1.6372401563305057, 2.7727317336295987, 11.218757649606145 ] ]
[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "K", "K", "K", "K", "K", "K", "K", "K", "Cr", "Cr", "Cr", "Cr", "S", "S", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.18181818181818182, 0.6363636363636364, 0.09090909090909091 ]
[ [ 0.70885724, 0, 0 ], [ 0, 0.7894336, 0.19448431 ], [ 0, 0.19448434, 0.78148 ] ]
-264.878015
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001, -0.001, -0.001, 0, 0.008, 0, 0.008, 0, 0, 0.008, 0, 0, 0, 0.009, 0.008, 0.009, 0.008, 0, 0.009, 0, 0, 0, 0.008, 0, 0.009, 0, 0.008, 0, 0, 0.008, 0 ]
[ [ -0.00076159, -0.00086806, 0.00028557 ], [ -0.0020255, 0.00019024, 0.00017128 ], [ -0.00076159, 0.00086806, -0.00028557 ], [ 0.0020255, 0.00019024, 0.00017128 ], [ 0.0020255, -0.00019024, -0.00017128 ], [ -0.0020255, -0.00019024, -0.00017128 ], [ 0.00076159, 0.00086806, -0.00028557 ], [ 0.00076159, -0.00086806, 0.00028557 ], [ 0.00132075, 0.00235744, -0.00241747 ], [ -0.00132075, -0.00235744, 0.00241747 ], [ 0.00132075, -0.00235744, 0.00241747 ], [ -0.00132075, 0.00235744, -0.00241747 ], [ 0.00057585, -0.0017382, -0.00310192 ], [ 0.00057585, 0.0017382, 0.00310192 ], [ -0.00057585, 0.0017382, 0.00310192 ], [ -0.00057585, -0.0017382, -0.00310192 ], [ -0.00112748, 0.00116204, -0.00040771 ], [ -0.00141726, -0.00134822, -0.00541985 ], [ -0.00264825, -0.00281082, -0.00260007 ], [ -0.00315503, -0.00123847, 0.00285068 ], [ -0.00049245, 0.00271493, -0.00045489 ], [ -0.00112748, -0.00116204, 0.00040771 ], [ -0.00141726, 0.00134822, 0.00541985 ], [ 0.00049245, -0.00271493, 0.00045489 ], [ 0.00023982, 0.0000736, 0.00073503 ], [ 0.00264825, -0.00281082, -0.00260007 ], [ -0.0016401, -0.00385198, 0.00009824 ], [ 0.00141726, 0.00134822, 0.00541985 ], [ -0.0016401, 0.00385198, -0.00009824 ], [ 0.00315503, -0.00123847, 0.00285068 ], [ 0.00049245, 0.00271493, -0.00045489 ], [ 0.0016401, 0.00385198, -0.00009824 ], [ -0.00023982, -0.0000736, -0.00073503 ], [ 0.00264825, 0.00281082, 0.00260007 ], [ 0.00023982, -0.0000736, -0.00073503 ], [ -0.00315503, 0.00123847, -0.00285068 ], [ 0.00112748, -0.00116204, 0.00040771 ], [ 0.0016401, -0.00385198, 0.00009824 ], [ -0.00023982, 0.0000736, 0.00073503 ], [ 0.00141726, -0.00134822, -0.00541985 ], [ -0.00264825, 0.00281082, 0.00260007 ], [ -0.00049245, -0.00271493, 0.00045489 ], [ 0.00315503, 0.00123847, -0.00285068 ], [ 0.00112748, 0.00116204, -0.00040771 ] ]
0.11818
0
pbe
true
428964545098f714795b6939dc8ec9bd_14_K8Cr4S4O28
[ "Nb", "Ni", "O", "P" ]
36
A24B6C5D
NbNi5O24P6
Nb1 Ni5 O24 P6
4
[ 1, 1, 1 ]
3
[ [ 8.5325377, -0.10222042, -0.07215081 ], [ 4.32379274, -7.52523348, -5e-8 ], [ 4.32379271, -2.52044967, -7.09058969 ] ]
mp-772023
[ [ 6.102799008799449, -1.4982868140335583, -1.057542587003632 ], [ 8.726319769761838, -10.000444615221403, -7.058658822985573 ], [ 6.205401312834348, -6.444117347707323, -4.548480352569061 ], [ 8.594941264007634, -5.0711580588410365, -3.579398366790127 ], [ 11.087667302898236, -8.64367390844115, -6.101003296389941 ], [ 10.997967899284198, -3.6904397810092133, -2.6048398191818327 ], [ 5.5528644988615845, -3.3227202190180516, -3.9434979365286247 ], [ 7.2724556458468275, -7.821436342442083, -1.8099981020082683 ], [ 8.573449145826913, -6.589394587232074, -6.763456244445466 ], [ 8.610505891997173, -3.638823700210759, -0.3860846892847971 ], [ 9.840210859276398, -2.299374136699244, -5.3159332236674155 ], [ 11.616693562643462, -6.8145893288867105, -3.299339486494449 ], [ 2.3767274534991265, -1.6186698614746355, -2.277800649569622 ], [ 3.1981498007023053, -4.118008859161053, -0.7622676726167962 ], [ 4.122311368480302, -3.7059311786513036, -3.6248515322529005 ], [ 5.536335013073044, -2.5977812228336816, -5.309531750412995 ], [ 6.06538642763056, -2.3548131500305676, -2.7908494040545953 ], [ 6.58085677680025, -4.46526175353652, -3.9553363282839644 ], [ 6.361898183327517, -7.30977680977864, -0.6694003363221589 ], [ 7.449923210521741, -6.734992144636062, -2.882583447035873 ], [ 7.519322707185818, -4.663255620170558, -0.10415501083335818 ], [ 8.104080526593673, -6.110374097719965, -5.380518770168529 ], [ 7.988560057015984, -2.165902490434745, -0.5259785388284991 ], [ 8.405642472100936, -2.176676267146619, -5.812505825720055 ], [ 4.425140265384589, -0.5636362284632959, -1.2840556921783204 ], [ 9.19141835033451, -8.003588545246673, -6.66337317106401 ], [ 9.135560306511268, -4.014108537599186, -1.7917483989108414 ], [ 5.343972689251581, -2.99782976384414, -0.1010089732791049 ], [ 9.780416236614697, -3.4086213429462897, -4.239644792693389 ], [ 10.799493363413035, -2.8595965119477444, -6.474287267014849 ], [ 10.62827066194434, -5.63066750064106, -3.1821452585394683 ], [ 11.000235704827288, -7.7182829507318615, -4.359029638895421 ], [ 11.615797736716818, -7.533963600572569, -1.8646364541259988 ], [ 13.062980198431239, -6.448082187419582, -3.5441473097912994 ], [ 13.979297714437452, -6.033265410389623, -6.391270209532572 ], [ 14.799136126591762, -8.520768210698563, -4.888600696662732 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Nb", "Ni", "Ni", "Ni", "Ni", "Ni", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-18 20:11:46
[ 0.027777777777777776, 0.1388888888888889, 0.6666666666666666, 0.16666666666666666 ]
[]
-238.630596
[ 0.009, 1.818, 1.807, 1.82, 1.745, 1.724, 0.009, 0.01, 0.01, 0.021, 0.021, 0.021, 0.034, 0.034, 0.033, 0.085, 0.001, 0.081, 0.091, 0.083, -0.149, 0.084, 0.018, -0.143, 0, 0.088, -0.058, 0, -0.051, 0.017, -0.053, -0.144, 0.018, -0.066, -0.072, -0.069 ]
[]
8.877
1.236268
pbe
true
ebc0b6e3dc95025c95c6261b2414b5a3_146_Nb1Ni5P6O24
[ "Nb", "Ni", "P", "Th" ]
5
A2BCD
NbNiP2Th
Th1 Nb1 Ni1 P2
4
[ 1, 1, 1 ]
3
[ [ 3.83556541, 0, 0 ], [ 0, 3.83556541, 0 ], [ -1.91778271, -1.9177827, 6.03621113 ] ]
agm005021590
[ [ 0, 0, 0 ], [ 1.9177827024999998, 2.4999999848063226e-9, 3.018105565 ], [ -2.4999999848063226e-9, 1.9177827074999998, 3.018105565 ], [ 1.917782722934427, 1.9177827254212279, 1.5010855270674017 ], [ -2.293442642872006e-8, -1.542122737438131e-8, 4.535125602932598 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Th", "Nb", "Ni", "P", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ -1.8181694, 0, 0 ], [ 0, -1.8181694, 0 ], [ 0, 0, -1.7640504 ] ]
-38.446011
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00106404 ], [ 0, 0, 0.00106404 ] ]
0.000456
5.237395
pbe
true
ae994eb924a7245e201b133f33286eb0_119_Th1Nb1Ni1P2
[ "Be", "Ta", "Zn" ]
4
A2BC
BeTaZn2
Ta1 Be1 Zn2
3
[ 1, 1, 1 ]
3
[ [ 4.98034163, -0.00143632, -0.00508393 ], [ -2.28358481, 4.70332033, 0.00150827 ], [ 0.41317813, 0.69467484, 2.45884082 ] ]
agm004302110
[ [ -0.9352033399999999, 2.6989975850000003, 1.230174545 ], [ 0, 0, 0 ], [ 2.69675988, 0.34661926, 1.2268784449999999 ], [ 1.34837841, 2.3509420050000003, -0.0017878300000000002 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Be", "Zn", "Zn", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 3.8407803, 0.01395425, 0.04940082 ], [ 0.01395366, 3.5972433, -0.04386502 ], [ 0.04939875, -0.04386502, 3.454371 ] ]
-17.465517
[ 0.001, 0.002, 0.002, 0.137 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.179969
1.597936
pbe
true
7503c2c6dd10af6ba6c1874ab6f69aa3_12_Ta1Be1Zn2
[ "Bi", "Ca", "Rh" ]
12
A3B2C
Bi3CaRh2
Ca2 Bi6 Rh4
3
[ 1, 1, 1 ]
3
[ [ 6.06961401, 0, 0 ], [ 0, 7.74545911, 0 ], [ 0, -3.87272956, 6.70776436 ] ]
agm003434859
[ [ 1.7237674047291351, 3.872729592060629, 2.2359214309741184 ], [ 4.345846605270864, -4.206062926908109e-8, 4.471842929025881 ], [ 4.484378079423882, 1.9482790355010222, 1.1248350000972964 ], [ 4.484378079423882, 3.87272951294963, 4.458081011354331 ], [ 4.484378079423882, 5.797179995367472, 1.1248350000972964 ], [ 1.5852359305761172, -1.9244504453674713, 5.582929359902703 ], [ 1.5852359305761172, 1.9244505144989779, 5.582929359902703 ], [ 1.5852359305761172, 3.70503707582041e-8, 2.2496833486456693 ], [ 0, 0, 0 ], [ 0, 1.936364775, 3.35388218 ], [ 0, 3.872729555, 0 ], [ 0, -1.93636478, 3.35388218 ] ]
[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Ca", "Ca", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.16666666666666666, 0.3333333333333333 ]
[ [ 3.1306164, 0, 0 ], [ 0, 2.8754616, 0 ], [ 0, 0, 2.8754616 ] ]
-59.437247
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00653619, 0, 0 ], [ 0.00653619, 0, 0 ], [ 0.00163922, -0.00027001, -0.00015589 ], [ 0.00163922, 0, 0.00031178 ], [ 0.00163922, 0.00027001, -0.00015589 ], [ -0.00163922, -0.00027001, 0.00015589 ], [ -0.00163922, 0.00027001, 0.00015589 ], [ -0.00163922, 0, -0.00031178 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
9.556157
pbe
true
5308959dae289f9b8c5523c037706ed8_164_Ca2Bi6Rh4
[ "Nb", "O", "P", "Sb" ]
34
A24B6C3D
NbO24P6Sb3
Nb1 O24 P6 Sb3
4
[ 1, 1, 1 ]
3
[ [ 9.08129554, -0.02065427, -0.01438944 ], [ 4.79604452, 7.71157048, -0.01438944 ], [ 4.79604452, 2.65800082, 7.23902977 ] ]
mp-774502
[ [ 16.030310964496113, 8.884107614553802, 6.189695467554862 ], [ 2.6773715811635115, 1.4838175818227106, 1.0337987065623278 ], [ 6.683830646500812, 3.7042245077141858, 2.5807906253458506 ], [ 12.034707111082854, 6.669716721110205, 4.646895011818714 ], [ 6.170577496060661, 7.012154502211888, 3.3376636507109363 ], [ 7.985571396765907, 2.2852471436629322, 5.42168095157916 ], [ 9.216788979217371, 3.6560398552548854, 0.2655188535997807 ], [ 9.478948205021636, 6.696774687552785, 6.944466833746668 ], [ 10.702966180086907, 8.069271691217715, 1.8045043771625193 ], [ 12.515589094255299, 3.3551329471507554, 3.8763352809502143 ], [ 4.953165924421747, 3.4834003853344657, 3.7515026031625682 ], [ 5.579237198865319, 4.334593863165459, 0.9083557940670908 ], [ 6.337467163065333, 7.841496359685267, 2.0381760018584862 ], [ 6.632869993764534, 1.695117127994657, 1.9680737400366097 ], [ 6.887203554854337, 5.653940729322592, 3.2179324039150887 ], [ 6.787202214720254, 7.726307937304407, 4.564366023390354 ], [ 7.283971810697792, 2.92061994033385, 6.649845389864027 ], [ 7.8711927929965935, 3.2018563402507443, 4.189050559576379 ], [ 8.444920154755968, 4.003639112311832, 1.552385529516514 ], [ 8.551421262768104, 5.475067957054767, 7.120139561412407 ], [ 8.601659063545823, 7.971857618583394, 6.745527927861458 ], [ 9.175364010177532, 8.185932832873073, 1.6133076476869335 ], [ 9.49799137367032, 2.0670347864495917, 5.666648338899611 ], [ 10.00850218412612, 2.3337581741078406, 0.4360773239865048 ], [ 10.149209272444436, 4.8567835440559985, -0.024044332973824103 ], [ 10.270896641812957, 6.414877745795962, 5.642778293503734 ], [ 10.883701293328732, 7.13259243849776, 3.025572809034649 ], [ 11.319183180113981, 7.390804067748461, 0.5415683706448502 ], [ 11.804805134849673, 2.7056079298191795, 2.6694227478006534 ], [ 11.81711672742562, 4.725678848646271, 4.062835039540313 ], [ 12.042798396458682, 8.648001066509556, 5.20935794491486 ], [ 12.266899311062305, 2.476004105924982, 5.141378635844617 ], [ 13.067548213810504, 6.033643244359116, 6.307824816851272 ], [ 13.716511984843079, 6.836465403784846, 3.4748177800720303 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Nb", "Sb", "Sb", "Sb", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-02-20 03:06:24
[ 0.029411764705882353, 0.7058823529411765, 0.17647058823529413, 0.08823529411764706 ]
[]
-240.235971
[ 0.036, -0.045, 0.267, -0.037, 0.005, 0.005, 0.005, 0.007, 0.006, 0.007, 0.054, 0.056, -0.009, 0.054, 0.059, 0.007, -0.006, 0.058, 0.057, -0.011, 0.005, -0.008, 0.005, -0.006, 0.005, -0.007, -0.004, 0.003, -0.008, -0.004, -0.007, 0.003, -0.007, -0.01 ]
[]
0.535
2.795419
pbe
true
4b8c0877733d2f6894d35ebc48c0ad8a_146_Nb1Sb3P6O24
[ "Bi", "Cd", "La" ]
4
A2BC
BiCdLa2
La2 Cd1 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.3430508, 0, 0 ], [ 0, 5.36952489, 0 ], [ 0, 0, 5.36952489 ] ]
agm001200951
[ [ 2.1715254, 0, 0 ], [ 2.1715254, 2.684762445, 2.684762445 ], [ 0, 0, 2.684762445 ], [ 0, 2.684762445, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Cd", "Bi", "La", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.6200701, 0, 0 ], [ 0, 1.8651576, 0 ], [ 0, 0, 1.8651576 ] ]
-17.108365
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000382
3.642543
pbe
true
ddca5bf0623cb95e34936fecaf5f197d_123_La2Cd1Bi1
[ "Cs", "F", "Mg", "Rb" ]
10
A6B2CD
Cs2F6MgRb
Cs2 Rb1 Mg1 F6
4
[ 1, 1, 1 ]
3
[ [ 6.67143467, 0, 0 ], [ 3.33571734, 5.7776319, 0 ], [ 3.33571734, 1.9258773, 5.4472036 ] ]
agm002210357
[ [ 10.0071520125, 5.7776319, 4.0854026999999995 ], [ 3.3357173375, 1.9258773, 1.3618009 ], [ 0, 0, 0 ], [ 6.671434675, 3.8517546, 2.7236018 ], [ 6.6714346778767455, 6.067858296601044, 4.290623753332452 ], [ 8.590636774975343, 2.743702751699478, 4.290623753332452 ], [ 4.752232575024658, 4.959806448300522, 1.156579846667548 ], [ 8.590636774975343, 4.959806448300522, 1.156579846667548 ], [ 6.6714346721232545, 1.6356509033989561, 1.156579846667548 ], [ 4.752232575024658, 2.743702751699478, 4.290623753332452 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Mg", "Rb", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 1.5857722, 0, 0 ], [ 0, 1.5857722, 0 ], [ 0, 0, 1.5857722 ] ]
-42.572243
[ -0.001, -0.001, -0.003, 0, 0.19, 0.187, 0.187, 0.068, 0.19, 0.068 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.01684313, -0.01190989 ], [ -0.01458658, 0.00842157, -0.01190989 ], [ 0.01458658, -0.00842157, 0.01190989 ], [ -0.01458658, -0.00842157, 0.01190989 ], [ 0, 0.01684313, 0.01190989 ], [ 0.01458658, 0.00842157, -0.01190989 ] ]
1.000064
21.597729
pbe
true
797344037d3b2cdab2620c4c336f04a0_225_Cs2Rb1Mg1F6
[ "Nb", "O", "Pb", "V" ]
20
A6B2CD
NbO6Pb2V
Nb2 V2 Pb4 O12
4
[ 1, 1, 1 ]
3
[ [ 5.77563673, 0, -0.02136567 ], [ 0, 5.73865406, 0 ], [ 0.01707084, 0, 7.99502312 ] ]
agm004935667
[ [ 2.896353785, 0, 3.986828725 ], [ 0, 2.86932703, 0 ], [ 2.887818365, 0, -0.010682835 ], [ 0.00853542, 2.86932703, 3.99751156 ], [ 0.06162006889401731, 5.702579560688407, 1.9976767905849317 ], [ 2.9579738538940172, 2.9054015293115936, 5.984505515584932 ], [ 5.731087501105983, 0.0360744993115938, 5.975980659415068 ], [ 2.8347337161059825, 2.833252530688406, 1.9891519344150683 ], [ 1.470655880055121, 4.279755577652674, 0.2294682257483507 ], [ 4.367009665055122, 4.328225512347326, 4.216296950748351 ], [ 4.322051689944879, 1.4588984823473266, 7.74418922425165 ], [ 1.425697904944879, 1.4104285476526734, 3.757360499251649 ], [ 1.5186148574746128, 4.299076191209179, 3.7431991061215877 ], [ 4.414968642474613, 4.308904898790821, 7.730027831121587 ], [ 4.274092712525388, 1.4395778687908216, 4.2304583438784125 ], [ 1.3777389275253875, 1.4297491612091784, 0.2436296188784126 ], [ 5.478545302630024, 2.889501727440255, 1.9765911365974154 ], [ 2.599262357630023, 5.718479362559745, 5.984785531597415 ], [ 0.314162267369977, 2.849152332559745, 5.997066313402584 ], [ 3.193445212369977, 0.0201746974402548, 1.9888719184025847 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Nb", "Nb", "V", "V", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 1.2248759, 0, -0.0195852 ], [ 0, 1.1894591, 0 ], [ -0.01958522, 0, 1.0959607 ] ]
-147.088307
[ 0.063, 0.063, 1.852, 1.852, 0.002, 0.002, 0.002, 0.002, -0.007, -0.007, -0.007, -0.007, -0.003, -0.003, -0.003, -0.003, -0.017, -0.017, -0.017, -0.017 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00008689, 0.00037617, -0.00000328 ], [ 0.00008689, -0.00037617, -0.00000328 ], [ -0.00008689, -0.00037617, 0.00000328 ], [ -0.00008689, 0.00037617, 0.00000328 ], [ 0.00119648, 0.00163402, 0.00010768 ], [ 0.00119648, -0.00163402, 0.00010768 ], [ -0.00119648, -0.00163402, -0.00010768 ], [ -0.00119648, 0.00163402, -0.00010768 ], [ -0.0031016, -0.00169635, 0.00007804 ], [ -0.0031016, 0.00169635, 0.00007804 ], [ 0.0031016, 0.00169635, -0.00007804 ], [ 0.0031016, -0.00169635, -0.00007804 ], [ -0.00024777, -0.00079821, 0.00409453 ], [ -0.00024777, 0.00079821, 0.00409453 ], [ 0.00024777, 0.00079821, -0.00409453 ], [ 0.00024777, -0.00079821, -0.00409453 ] ]
4.000001
-0.000229
pbe
true
f0c897b9a4d3adfe669689be60a57ae7_14_Nb2V2Pb4O12
[ "Nb", "O", "Pr", "Sc" ]
22
A7B2CD
NbO7Pr2Sc
Pr4 Sc2 Nb2 O14
4
[ 1, 1, 1 ]
3
[ [ 7.56368908, -0.00240372, 0.00556417 ], [ -0.00325727, 7.56368876, -0.00556417 ], [ -3.72093448, -3.83991726, 5.34968329 ] ]
agm003228405
[ [ 1.919748665, 1.8606838899999998, 2.674841645 ], [ 3.78184454, -0.00120186, 0.002782085 ], [ 3.780215905, 3.78064252, 0 ], [ -1.862095875, 1.86188575, 2.6720595599999997 ], [ -1.86046724, -1.91995863, 2.674841645 ], [ -0.001628635, 3.78184438, -0.002782085 ], [ 0, 0, 0 ], [ 1.9213772999999998, -1.92116049, 2.67762373 ], [ 1.476988421383993, -0.4442222067782112, 1.338811865 ], [ 5.937064665041892, 4.016357377290528, 1.338811865 ], [ 1.5732317846334556, 4.105262825080961, 1.4255776795192387 ], [ 6.026455000104268, -0.347465439681551, 1.2520460449165913 ], [ 0.10768615471413591, -1.9897963399635794, 3.538836142945338 ], [ 3.7710661500235876, 1.907676465362989, 4.488470871490492 ], [ 2.362508908616007, 4.165589986778211, 4.0108714249999995 ], [ -2.0975673350418917, -0.29498959729052787, 4.0108714249999995 ], [ 2.266265545366544, -0.38389504508096056, 3.9241056104807615 ], [ -2.186957670104268, 4.068833219681551, 4.097637245083408 ], [ 3.7318111752858636, 5.71116411996358, 1.8108471470546619 ], [ 0.06843117997641181, 1.8136913146370108, 0.8612124185095081 ], [ 0.05935143141436805, 1.8621725875107886, 4.0108714249999995 ], [ 3.7801458985856318, 1.8591951924892114, 1.338811865 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Pr", "Pr", "Pr", "Pr", "Sc", "Sc", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.6363636363636364, 0.18181818181818182, 0.09090909090909091 ]
[ [ 0.71188855, 0.01914385, 0.07328952 ], [ 0.01914385, 0.71189284, -0.07328125 ], [ 0.07328952, -0.07328125, 0.68971425 ] ]
-191.808584
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00047032, -0.00047037, 0 ], [ 0.00005228, 0.00005228, 0 ], [ -0.00071834, -0.00136341, 0.00042249 ], [ -0.00136333, -0.0007185, -0.00042249 ], [ -0.00073739, -0.00134437, 0.00044982 ], [ -0.00134429, -0.00073754, -0.00044982 ], [ 0.00047032, 0.00047037, 0 ], [ -0.00005228, -0.00005228, 0 ], [ 0.00071834, 0.00136341, -0.00042249 ], [ 0.00136333, 0.0007185, 0.00042249 ], [ 0.00073739, 0.00134437, -0.00044982 ], [ 0.00134429, 0.00073754, 0.00044982 ], [ 0.00136175, 0.0013619, 0 ], [ -0.00136175, -0.0013619, 0 ] ]
-0
0
pbe
true
a9fe0b82b9e20d145f0095731bab1b05_74_Pr4Sc2Nb2O14
[ "Np", "Pb", "Rh" ]
3
ABC
NpPbRh
Np1 Rh1 Pb1
3
[ 1, 1, 1 ]
3
[ [ 4.7217078, 0, 0 ], [ 2.3608539, 4.08909757, 0.00008362 ], [ 2.3608539, 1.36315744, 3.85544417 ] ]
agm002308947
[ [ 4.7217078, 2.7261495591522866, 1.92777272435431 ], [ 7.0825617236085385, 1.363173318670586, 3.855423852280841 ], [ 2.3608539, 1.3630258605681027, 0.9638934358656854 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Np", "Pb", "Rh" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 6.226336, 0, 0 ], [ 0, 4.7691593, 0.5142424 ], [ 0, 0.5142447, 5.9689164 ] ]
-24.014185
[ 3.861, 0.054, -0.09 ]
[ [ 0, 0.0128762, -0.00645194 ], [ 0, -0.00417948, 0.00166039 ], [ 0, -0.00869671, 0.00479156 ] ]
4.240472
16.830393
pbe
true
d7f0be0fbd33404bd6c56adb6b232bce_216_Np1Rh1Pb1
[ "Nb", "O", "Rb", "Ti" ]
32
A5BCD
NbO5RbTi
Nb4 O20 Rb4 Ti4
4
[ 1, 1, 1 ]
3
[ [ 0, -3.85656767, 0 ], [ -6.52568235, 0, 0 ], [ 0, 0, -19.38431429 ] ]
mp-1219566
[ [ -4.5900248585899455, -2.8924257525, -5.933210040041785 ], [ -1.3271836835899455, -2.8924257525, -3.7589471049582155 ], [ -1.9356574914100546, -0.9641419175, -13.451104249958215 ], [ -5.198498666410055, -0.9641419175, -15.625367185041783 ], [ -1.2128089626370244, -2.8924257525, -10.316260730861412 ], [ -4.475650137637025, -2.8924257525, -18.760210704138586 ], [ -5.312873387362975, -0.9641419175, -9.068053559138587 ], [ -2.0500322123629755, -0.9641419175, -0.6241035858614128 ], [ -4.78754988930339, -2.8924257525, -11.744505343003755 ], [ -1.5247087143033902, -2.8924257525, -17.331966091996243 ], [ -1.73813246069661, -0.9641419175, -7.639808946996242 ], [ -5.00097363569661, -0.9641419175, -2.0523481980037577 ], [ -1.6939835440690967, -2.8924257525, -8.199397076508248 ], [ -4.956824719069097, -2.8924257525, -1.4927600684917515 ], [ -4.831698805930904, -0.9641419175, -11.18491721349175 ], [ -1.5688576309309037, -0.9641419175, -17.891554221508247 ], [ -4.366010451797264, -2.8924257525, -13.507323995164073 ], [ -1.1031692767972636, -2.8924257525, -15.569147439835925 ], [ -2.1596718982027365, -0.9641419175, -5.876990294835926 ], [ -5.422513073202737, -0.9641419175, -3.8151668501640734 ], [ -0.2549678716539075, -2.8924257525, -11.925582751884935 ], [ -3.5178090466539076, -2.8924257525, -17.150888683115063 ], [ -6.270714478346092, -0.9641419175, -7.458731538115065 ], [ -3.0078733033460927, -0.9641419175, -2.2334256068849347 ], [ -2.8506710511847095, -2.8924257525, -11.049029487299137 ], [ -6.11351222618471, -2.8924257525, -18.02744194770086 ], [ -3.6750112988152903, -0.9641419175, -8.335284802700864 ], [ -0.4121701238152905, -0.9641419175, -1.356872342299136 ], [ -5.56675773471949, -2.8924257525, -9.50552167168245 ], [ -2.303916559719489, -2.8924257525, -0.1866354733175493 ], [ -0.958924615280511, -0.9641419175, -9.878792618317549 ], [ -4.221765790280511, -0.9641419175, -19.197678816682448 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Rb", "Rb", "Rb", "Rb", "Ti", "Ti", "Ti", "Ti", "Nb", "Nb", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 20:33:03
[ 0.125, 0.625, 0.125, 0.125 ]
[ [ -6.65939563, 0, 0 ], [ 0, -5.54842213, 0 ], [ 0, 0, -2.23826144 ] ]
-260.48342
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.08200989, 0, -0.03978577 ], [ -0.08200989, 0, 0.03978577 ], [ 0.08200989, 0, 0.03978577 ], [ 0.08200989, 0, -0.03978577 ], [ -0.01637336, 0, 0.0345131 ], [ -0.01637336, 0, -0.0345131 ], [ 0.01637336, 0, -0.0345131 ], [ 0.01637336, 0, 0.0345131 ], [ 0.04579378, 0, 0.09944706 ], [ 0.04579378, 0, -0.09944706 ], [ -0.04579378, 0, -0.09944706 ], [ -0.04579378, 0, 0.09944706 ], [ -0.05833744, 0, -0.01196482 ], [ -0.05833744, 0, 0.01196482 ], [ 0.05833744, 0, 0.01196482 ], [ 0.05833744, 0, -0.01196482 ], [ 0.08408382, 0, -0.04783307 ], [ 0.08408382, 0, 0.04783307 ], [ -0.08408382, 0, 0.04783307 ], [ -0.08408382, 0, -0.04783307 ], [ 0.05460919, 0, -0.0792653 ], [ 0.05460919, 0, 0.0792653 ], [ -0.05460919, 0, 0.0792653 ], [ -0.05460919, 0, -0.0792653 ], [ 0.0428552, 0, -0.0106553 ], [ 0.0428552, 0, 0.0106553 ], [ -0.0428552, 0, 0.0106553 ], [ -0.0428552, 0, -0.0106553 ], [ -0.02354248, 0, 0.01761138 ], [ -0.02354248, 0, -0.01761138 ], [ 0.02354248, 0, -0.01761138 ], [ 0.02354248, 0, 0.01761138 ] ]
0
0.599139
pbe
true
89d71641325944c71dfa1dbc58e02127_62_Rb4Ti4Nb4O20
[ "Nb", "O", "Rb", "Zr" ]
10
A6B2CD
NbO6Rb2Zr
Rb2 Zr1 Nb1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.91955961, 0, 0 ], [ 2.95977981, 5.126489, 0 ], [ 2.95977981, 1.70882967, 4.83330018 ] ]
agm004934883
[ [ 8.879339422500001, 5.1264890025000005, 3.624975135 ], [ 2.9597798075000004, 1.7088296675, 1.208325045 ], [ 0, 0, 0 ], [ 5.919559615000001, 3.417659335, 2.41665009 ], [ 5.919559617432974, 5.080674185463338, 3.5925791672155216 ], [ 4.4793465079155625, 4.249166759015183, 1.240721012784479 ], [ 4.479346507915563, 2.5861519109848183, 3.5925791672155216 ], [ 7.359772722084437, 4.249166759015183, 1.240721012784479 ], [ 5.919559612567026, 1.7546444845366624, 1.240721012784479 ], [ 7.359772722084437, 2.5861519109848183, 3.5925791672155216 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Rb", "Rb", "Zr", "Nb", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 0.80982023, 0, 0 ], [ 0, 0.80982023, 0 ], [ 0, 0, 0.80982023 ] ]
-73.948133
[ -0.002, -0.002, -0.042, -0.077, 0.15, 0.15, 0.15, 0.15, 0.15, 0.15 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00193856, -0.00137077 ], [ 0.00167884, -0.00096928, 0.00137077 ], [ 0.00167884, 0.00096928, -0.00137077 ], [ -0.00167884, -0.00096928, 0.00137077 ], [ 0, 0.00193856, 0.00137077 ], [ -0.00167884, 0.00096928, -0.00137077 ] ]
0.962345
5.04755
pbe
true
22cf7597cdc99fad40379028fc83e9b3_225_Rb2Zr1Nb1O6
[ "Ce", "Ir", "Pm" ]
12
A7B4C
CeIr4Pm7
Ce1 Pm7 Ir4
3
[ 1, 1, 1 ]
3
[ [ 5.35819137, 0, 0 ], [ 2.67909568, 8.43832419, 0.02994969 ], [ 2.67909569, 0.45229821, 7.05758756 ] ]
agm003667743
[ [ 0, 0, 0 ], [ 8.037287026573908, 7.58034221507096, 3.8528858396245633 ], [ 2.6790957134260918, 1.3102801849290397, 3.2346514103754367 ], [ 2.6790956827225454, 5.380130563459778, 1.23856804752488 ], [ 8.037287057277455, 3.5104918365402216, 5.84896920247512 ], [ 5.3581913704111885, 5.52294989952669, 4.953602179246773 ], [ 2.679095685, 0, 0 ], [ 5.358191369588811, 3.3676725004733097, 2.133935070753227 ], [ 5.358191345413107, 2.1089506692392006, 4.633370349946772 ], [ 5.3581913945868935, 6.7816717307608, 2.4541669000532274 ], [ 8.0372870293325, 6.1647300919006005, 6.419239294093352 ], [ 2.6790957106674997, 2.7258923080993993, 0.668297955906648 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Ce", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ir", "Ir", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.3333333333333333, 0.5833333333333334 ]
[ [ 0.45958695, 0, 0 ], [ 0, 0.3863695, 0.05709294 ], [ 0, 0.05709248, 0.43185088 ] ]
-78.054609
[ 0.878, -0.003, -0.003, 0.015, 0.015, 0.004, 0.168, 0.004, 0.003, 0.003, 0.005, 0.005 ]
[ [ 0, 0, 0 ], [ 0, -0.00071244, 0.00284761 ], [ 0, 0.00071244, -0.00284761 ], [ 0, -0.00017717, -0.00280713 ], [ 0, 0.00017717, 0.00280713 ], [ 0, -0.00054212, 0.0044307 ], [ 0, 0, 0 ], [ 0, 0.00054212, -0.0044307 ], [ 0, -0.00266844, -0.00184705 ], [ 0, 0.00266844, 0.00184705 ], [ 0, -0.00174816, 0.00220444 ], [ 0, 0.00174816, -0.00220444 ] ]
1.248691
13.468815
pbe
true
1fd7eb9a24711e1e158761c7f33ec95b_12_Ce1Pm7Ir4
[ "Dy", "Er", "In", "Tb" ]
12
A2B2CD
DyEr2InTb2
Tb4 Dy2 Er4 In2
4
[ 1, 1, 1 ]
3
[ [ 5.30816557, 0, 0 ], [ 0, 9.94256683, 0 ], [ 0, 0, 6.65057282 ] ]
agm004757219
[ [ 2.654082785, 8.301926875592422, 1.6185783716550695 ], [ 2.654082785, 1.6406399544075794, 5.03199444834493 ], [ 0, 6.61192336940758, 4.94386478165507 ], [ 0, 3.330643460592421, 1.7067080383449305 ], [ 2.654082785, 4.971283415, 0 ], [ 0, 0, 3.32528641 ], [ 2.654082785, 1.582056958685863, 1.603760695894925 ], [ 0, 6.553340373685863, 1.7215257141050748 ], [ 2.654082785, 8.360509871314138, 5.046812124105075 ], [ 0, 3.389226456314137, 4.929047105894925 ], [ 0, 0, 0 ], [ 2.654082785, 4.971283415, 3.32528641 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Tb", "Tb", "Tb", "Tb", "Dy", "Dy", "Er", "Er", "Er", "Er", "In", "In" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]
[ [ 1.2080842, 0, 0 ], [ 0, 1.0150983, 0 ], [ 0, 0, 1.1079609 ] ]
-51.868749
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00128775, 0.00294083 ], [ 0, 0.00128775, -0.00294083 ], [ 0, 0.00128775, 0.00294083 ], [ 0, -0.00128775, -0.00294083 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00459664, 0.00448676 ], [ 0, 0.00459664, -0.00448676 ], [ 0, -0.00459664, -0.00448676 ], [ 0, -0.00459664, 0.00448676 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000066
13.592552
pbe
true
226fc30c108b2b4d70cf26d2f331200e_58_Tb4Dy2Er4In2
[ "Be", "P", "Pb" ]
5
A3BC
BePPb3
Be1 P1 Pb3
3
[ 1, 1, 1 ]
3
[ [ 5.03499473, 0, 0 ], [ 0, 5.03499473, 0 ], [ 0, 0, 5.03499473 ] ]
agm002417446
[ [ 0, 2.517497365, 0 ], [ 0, 0, 2.517497365 ], [ 2.517497365, 0, 0 ], [ 2.517497365, 2.517497365, 2.517497365 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Pb", "Pb", "Pb", "P", "Be" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 1.107396, 0, 0 ], [ 0, 1.107396, 0 ], [ 0, 0, 1.107396 ] ]
-17.617061
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.628916
pbe
true
5a7529e2129dea694dee8d0663d1e9d6_221_Be1P1Pb3
[ "F", "Hg", "Pd", "Rb" ]
10
A6B2CD
F6HgPdRb2
Rb2 Hg1 Pd1 F6
4
[ 1, 1, 1 ]
3
[ [ 6.36235058, 0, 0 ], [ 3.18117529, 5.50995723, 0 ], [ 3.18117529, 1.83665241, 5.1948375 ] ]
agm003205541
[ [ 9.54352587, 5.50995723, 3.896128125 ], [ 3.18117529, 1.8366524100000001, 1.298709375 ], [ 6.36235058, 3.6733048200000002, 2.59741875 ], [ 0, 0, 0 ], [ 6.36235058, 1.7742373776848739, 1.2545752823610001 ], [ 4.71770993143646, 2.723771098842437, 3.940262217639 ], [ 6.36235058, 5.572372262315127, 3.940262217639 ], [ 4.71770993143646, 4.622838541157563, 1.2545752823610001 ], [ 8.00699122856354, 2.723771098842437, 3.940262217639 ], [ 8.00699122856354, 4.622838541157563, 1.2545752823610001 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Rb", "Rb", "Hg", "Pd", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.1, 0.2 ]
[ [ 1.39113, 0, 0 ], [ 0, 1.39113, 0 ], [ 0, 0, 1.39113 ] ]
-37.656822
[ 0, 0, 0.052, 1.113, 0.054, 0.054, 0.054, 0.054, 0.054, 0.054 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00045741, -0.00032344 ], [ -0.00039613, -0.0002287, 0.00032344 ], [ 0, 0.00045741, 0.00032344 ], [ -0.00039613, 0.0002287, -0.00032344 ], [ 0.00039613, -0.0002287, 0.00032344 ], [ 0.00039613, 0.0002287, -0.00032344 ] ]
1.537751
2.83113
pbe
true
cbc74c95176973c52c9013350cd2f554_225_Rb2Hg1Pd1F6
[ "Nb", "O", "Se", "Sm" ]
44
A4B3C3D
NbO4Se3Sm3
Sm12 Nb4 Se12 O16
4
[ 1, 1, 1 ]
3
[ [ 6.94387008, 0, 0 ], [ 0, 7.81425178, 0 ], [ 0, 0, 14.98700657 ] ]
agm003249293
[ [ 4.955931249110151, 3.961236926730895, 12.68903806197717 ], [ 1.968155606154528, 1.953562945, 13.751410756449832 ], [ 1.9879388308898498, 3.853014853269105, 2.2979685080228305 ], [ 5.459873870889849, 3.853014853269105, 5.19553477697717 ], [ 1.4839962091101504, 7.760140743269106, 9.791471793022831 ], [ 5.459873870889849, 0.054111036730894804, 5.19553477697717 ], [ 1.4839962091101504, 3.961236926730895, 9.791471793022831 ], [ 4.955931249110151, 7.760140743269106, 12.68903806197717 ], [ 1.9879388308898498, 0.054111036730894804, 2.2979685080228305 ], [ 5.440090646154528, 1.953562945, 8.729099098550169 ], [ 4.975714473845472, 5.860688835, 1.235595813550168 ], [ 1.503779433845472, 5.860688835, 6.257907471449832 ], [ 4.688993953914278, 1.953562945, 1.0130308228721858 ], [ 2.2548761260857213, 5.860688835, 13.973975747127815 ], [ 5.726811166085722, 5.860688835, 8.506534107872186 ], [ 1.2170589139142785, 1.953562945, 6.480472462127814 ], [ 6.92344301963086, 1.953562945, 11.56089249125101 ], [ 0.3531987017225856, 5.860688835, 11.950492465993745 ], [ 0.0204270603691392, 5.860688835, 3.426114078748989 ], [ 3.1187363382774147, 1.953562945, 4.456989180993745 ], [ 3.4515079796308608, 1.953562945, 10.919617363748989 ], [ 3.8251337417225857, 5.860688835, 10.530017389006254 ], [ 3.47193504, 0, 7.493503285 ], [ 6.590671378277414, 1.953562945, 3.0365141040062547 ], [ 3.492362100369139, 5.860688835, 4.067389206251011 ], [ 0, 3.90712589, 0 ], [ 0, 0, 0 ], [ 3.47193504, 3.90712589, 7.493503285 ], [ 2.481386556869338, 5.860688835, 0.9324425412739161 ], [ 2.682547834416307, 4.116339197181474, 13.280952434250436 ], [ 5.953321596869338, 5.860688835, 6.561060743726084 ], [ 2.682547834416307, 7.605038472818526, 13.280952434250436 ], [ 6.025263285078375, 1.953562945, 6.474261546865075 ], [ 4.261322245583693, 3.697912582818526, 1.7060541357495633 ], [ 4.390541834921625, 5.860688835, 13.967764831865075 ], [ 6.154482874416307, 7.605038472818526, 9.199557420749564 ], [ 0.7893872055836928, 0.20921330718147402, 5.7874491492504365 ], [ 2.553328245078374, 1.953562945, 1.0192417381349252 ], [ 0.9186067949216256, 5.860688835, 8.512745023134926 ], [ 4.261322245583693, 0.20921330718147402, 1.7060541357495633 ], [ 0.7893872055836928, 3.697912582818526, 5.7874491492504365 ], [ 4.462483523130662, 1.953562945, 14.054564028726084 ], [ 0.9905484831306625, 1.953562945, 8.425945826273917 ], [ 6.154482874416307, 4.116339197181474, 9.199557420749564 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Nb", "Nb", "Nb", "Nb", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.36363636363636365, 0.2727272727272727, 0.2727272727272727 ]
[ [ 0.29625127, 0, 0 ], [ 0, 0.2637168, 0 ], [ 0, 0, 0.25410193 ] ]
-330.035792
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00058779, -0.00008595, 0.00287089 ], [ -0.00211019, 0, -0.00119955 ], [ 0.00058779, 0.00008595, -0.00287089 ], [ 0.00058779, 0.00008595, 0.00287089 ], [ -0.00058779, 0.00008595, -0.00287089 ], [ 0.00058779, -0.00008595, 0.00287089 ], [ -0.00058779, -0.00008595, -0.00287089 ], [ -0.00058779, 0.00008595, 0.00287089 ], [ 0.00058779, -0.00008595, -0.00287089 ], [ -0.00211019, 0, 0.00119955 ], [ 0.00211019, 0, 0.00119955 ], [ 0.00211019, 0, -0.00119955 ], [ -0.00256409, 0, 0.00039875 ], [ 0.00256409, 0, -0.00039875 ], [ 0.00256409, 0, 0.00039875 ], [ -0.00256409, 0, -0.00039875 ], [ 0.00030233, 0, -0.00054173 ], [ 0.00073009, 0, 0.00082127 ], [ -0.00030233, 0, 0.00054173 ], [ -0.00073009, 0, 0.00082127 ], [ 0.00030233, 0, 0.00054173 ], [ 0.00073009, 0, -0.00082127 ], [ 0, 0, 0 ], [ -0.00073009, 0, -0.00082127 ], [ -0.00030233, 0, -0.00054173 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0006482, 0, -0.00051289 ], [ 0.00235293, -0.00158378, 0.00274953 ], [ -0.0006482, 0, 0.00051289 ], [ 0.00235293, 0.00158378, 0.00274953 ], [ 0.00347689, 0, 0.00330461 ], [ -0.00235293, 0.00158378, -0.00274953 ], [ -0.00347689, 0, 0.00330461 ], [ 0.00235293, 0.00158378, -0.00274953 ], [ -0.00235293, -0.00158378, 0.00274953 ], [ 0.00347689, 0, -0.00330461 ], [ -0.00347689, 0, -0.00330461 ], [ -0.00235293, -0.00158378, -0.00274953 ], [ -0.00235293, 0.00158378, 0.00274953 ], [ 0.0006482, 0, 0.00051289 ], [ 0.0006482, 0, -0.00051289 ], [ 0.00235293, -0.00158378, -0.00274953 ] ]
-0.000002
0
pbe
true
e5cade7880c95485afe1f79f709e8ba3_62_Sm12Nb4Se12O16
[ "Al", "Hg", "In" ]
8
A2BC
Al2HgIn
Al4 In2 Hg2
3
[ 1, 1, 1 ]
3
[ [ 7.81354082, 0, 0 ], [ 0, 7.81354082, 0 ], [ 3.90677041, 3.90677041, 3.00442147 ] ]
agm002787253
[ [ 5.968599669905372, 1.953385205, 0.7511053675 ], [ 1.8449411500946282, 5.860155615, 0.7511053675 ], [ 5.860155615, 5.751711560094629, 2.2533161025 ], [ 9.766926025, 9.875370079905373, 2.2533161025 ], [ 0, 0, 0 ], [ 7.81354082, 3.90677041, 1.502210735 ], [ 3.90677041, 3.90677041, 0 ], [ 3.90677041, 7.81354082, 1.502210735 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Al", "Al", "Al", "Al", "Hg", "Hg", "In", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 3.3079271, 0, 0 ], [ 0, 3.3079271, 0 ], [ 0, 0, 5.842157 ] ]
-19.138029
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00914321, 0, 0 ], [ 0.00914321, 0, 0 ], [ 0, 0.00914321, 0 ], [ 0, -0.00914321, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.02841
pbe
true
faa91a8934d43744e69ab2cf84e707dc_122_Al4In2Hg2
[ "Al", "Hg", "Li" ]
6
ABC
AlHgLi
Li2 Al2 Hg2
3
[ 1, 1, 1 ]
3
[ [ 2.74319712, 0, -1.55130385 ], [ 0, 4.0926686, 0 ], [ -1.48852357, 0, 10.61364802 ] ]
agm005675634
[ [ -0.39831780109595827, 1.02316715, 7.612678426315105 ], [ 1.6529913510959586, 3.0695014499999997, 1.4496657436848943 ], [ 1.0449742943275215, 1.02316715, 3.63423066623716 ], [ 0.20969925567247866, 3.0695014499999997, 5.428113503762839 ], [ 2.4563371788752133, 1.02316715, -0.3463069099830142 ], [ -1.2016636288752127, 3.0695014499999997, 9.408651079983013 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Li", "Li", "Al", "Al", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.8478658, 0, -0.3337575 ], [ 0, 2.7406802, 0 ], [ -0.33375746, 0, 3.3571389 ] ]
-12.859362
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0.00015837, 0, -0.00101188 ], [ -0.00015837, 0, 0.00101188 ], [ -0.00256533, 0, -0.00162612 ], [ 0.00256533, 0, 0.00162612 ], [ -0.00281537, 0, 0.00038402 ], [ 0.00281537, 0, -0.00038402 ] ]
0
2.165113
pbe
true
3a0e1643e9b6a7f0d4480ab1052ab00a_11_Li2Al2Hg2
[ "Al", "Hg", "Ni" ]
4
A2BC
Al2HgNi
Al2 Ni1 Hg1
3
[ 1, 1, 1 ]
3
[ [ 4.08121063, 0.38083798, 0 ], [ -0.80773009, 4.01856813, 0 ], [ 0, 0, 3.77647344 ] ]
agm004199862
[ [ -0.403865045, 2.009284065, 1.88823672 ], [ 2.040605315, 0.19041899, 1.88823672 ], [ 0, 0, 0 ], [ 1.6367402700000002, 2.199703055, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Ni", "Hg", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ -3.0342906, 0.19055285, 0 ], [ 0.19055285, -2.9199817, 0 ], [ 0, 0, -2.8209622 ] ]
-13.477311
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.21611
pbe
true
a6b52f2840fed4518530c79cc3a099e7_65_Al2Ni1Hg1
[ "Al", "Hf", "Rb" ]
6
ABC
AlHfRb
Rb2 Hf2 Al2
3
[ 1, 1, 1 ]
3
[ [ 5.38736605, -3.11039724, 0 ], [ 0, 6.22079448, 0 ], [ 0, 0, 10.65754156 ] ]
agm003033664
[ [ 0, 0, 0 ], [ 0, 0, 5.32877078 ], [ 0, 0, 2.66438539 ], [ 0, 0, 7.993156170000001 ], [ 1.7957886653754462, 3.1103972711039725, 2.66438539 ], [ 3.5915773846245536, -3.1103972466417444e-8, 7.993156170000001 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Hf", "Hf", "Al", "Al", "Rb", "Rb" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.7564062, 0, 0 ], [ 0, 0.7564062, 0 ], [ 0, 0, 1.0777107 ] ]
-19.261855
[ 0.434, 0.433, 0.026, 0.026, 0.003, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.642198
7.190272
pbe
true
10836ee44af258ceb73575468f8ad4d0_194_Rb2Hf2Al2
[ "Nb", "O", "Ti", "Zn" ]
26
A8B2C2D
Nb2O8TiZn2
Ti2 Nb4 Zn4 O16
4
[ 1, 1, 1 ]
3
[ [ 2.95383199, 9.68920234, 0.01515384 ], [ -2.95383199, 9.68920234, 0.01515384 ], [ 0, 0.04915162, 5.3089848 ] ]
agm005265903
[ [ 0.7791466196257715, 9.726066055, 3.9968924400000003 ], [ -0.7791466196257715, 9.701490245, 1.34240004 ], [ -2.114594827743661, 11.938440341519627, 3.9159238992016254 ], [ -2.114594827743661, 7.513691768480372, 4.077860980798375 ], [ 2.1145948277436615, 7.489115958480372, 1.4233685807983754 ], [ 2.114594827743661, 11.913864531519627, 1.261431499201625 ], [ 0.8774789185765539, 5.496452439306778, 4.124184843098779 ], [ 0.8774789185765542, 13.95567967069322, 3.8696000369012213 ], [ -0.8774789185765539, 13.93110386069322, 1.2151076369012208 ], [ -0.877478918576554, 5.471876629306778, 1.4696924430987794 ], [ -2.120514070745062, 10.959768014668711, 0.4924927538341704 ], [ -2.120514070745062, 8.443212475331288, 2.1923073261658295 ], [ 2.1205140707450614, 8.467788285331288, 4.84679972616583 ], [ 2.120514070745062, 10.984343824668711, 3.14698515383417 ], [ -0.7476472802059303, 10.772834163160347, 3.104186435499449 ], [ -0.7476472802059303, 8.679297946839652, 4.889598444500551 ], [ 0.7476472802059302, 8.654722136839652, 2.2351060445005513 ], [ 0.7476472802059303, 10.748258353160347, 0.44969403549944886 ], [ 0.6172869059090965, 3.433047658604649, 2.259164774319163 ], [ 0.6172869059090963, 15.96993283139535, 0.42563530568083685 ], [ 0.8958549141545832, 13.449835934944852, 1.9265964853988666 ], [ 0.8958549141545833, 5.953144555055145, 0.7582035946011336 ], [ -0.8958549141545833, 5.977720365055146, 3.4126959946011337 ], [ -0.8958549141545835, 13.474411744944852, 4.5810888853988665 ], [ -0.6172869059090965, 3.457623468604649, 4.913657174319163 ], [ -0.6172869059090963, 15.99450864139535, 3.080127705680837 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ti", "Ti", "Nb", "Nb", "Nb", "Nb", "Zn", "Zn", "Zn", "Zn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15384615384615385, 0.6153846153846154, 0.07692307692307693, 0.15384615384615385 ]
[ [ 0.8158668, 0, 0 ], [ 0, 0.8726583, -0.020486 ], [ 0, -0.02048586, 0.9191989 ] ]
-197.470716
[ 0.725, 0.725, 0.551, 0.551, 0.551, 0.551, 0.014, 0.014, 0.014, 0.014, -0.011, -0.011, -0.011, -0.011, -0.028, -0.028, -0.028, -0.028, 0.012, 0.012, 0.003, 0.003, 0.003, 0.003, 0.012, 0.012 ]
[ [ 0.00111225, 0, 0 ], [ -0.00111225, 0, 0 ], [ -0.00105855, 0.0015143, -0.00339707 ], [ -0.00105855, -0.0015143, 0.00339707 ], [ 0.00105855, -0.0015143, 0.00339707 ], [ 0.00105855, 0.0015143, -0.00339707 ], [ -0.00198116, 0.00040231, -0.00166264 ], [ -0.00198116, -0.00040231, 0.00166264 ], [ 0.00198116, -0.00040231, 0.00166264 ], [ 0.00198116, 0.00040231, -0.00166264 ], [ 0.0014381, -0.00231922, -0.00135345 ], [ 0.0014381, 0.00231922, 0.00135345 ], [ -0.0014381, 0.00231922, 0.00135345 ], [ -0.0014381, -0.00231922, -0.00135345 ], [ -0.00020988, 0.00280904, 0.00242567 ], [ -0.00020988, -0.00280904, -0.00242567 ], [ 0.00020988, -0.00280904, -0.00242567 ], [ 0.00020988, 0.00280904, 0.00242567 ], [ -0.00123273, 0.00005676, -0.00205733 ], [ -0.00123273, -0.00005676, 0.00205733 ], [ 0.00049833, -0.00051071, -0.0031482 ], [ 0.00049833, 0.00051071, 0.0031482 ], [ -0.00049833, 0.00051071, 0.0031482 ], [ -0.00049833, -0.00051071, -0.0031482 ], [ 0.00123273, 0.00005676, -0.00205733 ], [ 0.00123273, -0.00005676, 0.00205733 ] ]
4.054615
9.822745
pbe
true
cf9a7d0f5388eaa49b3eaa744e8771ba_15_Ti2Nb4Zn4O16
[ "Nb", "O", "Tl", "Zr" ]
10
A6B2CD
NbO6Tl2Zr
Zr1 Nb1 Tl2 O6
4
[ 1, 1, 1 ]
3
[ [ 5.8771435, 0, 0 ], [ 2.93857175, 5.08975557, 0 ], [ 2.93857175, 1.69658519, 4.79866757 ] ]
agm004935490
[ [ 0, 0, 0 ], [ 5.8771435, 3.39317038, 2.399333785 ], [ 8.81571525, 5.08975557, 3.5990006775000003 ], [ 2.93857175, 1.69658519, 1.1996668925 ], [ 5.877143499999999, 5.046392888445828, 3.568338631327971 ], [ 4.44541080882195, 4.219781634222914, 1.230328938672029 ], [ 4.44541080882195, 2.566559125777086, 3.568338631327971 ], [ 7.308876191178049, 4.219781634222914, 1.230328938672029 ], [ 5.877143499999999, 1.739947871554172, 1.230328938672029 ], [ 7.308876191178049, 2.566559125777086, 3.568338631327971 ] ]
[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Zr", "Nb", "Tl", "Tl", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.2, 0.1 ]
[ [ 0.6771086, 0, 0 ], [ 0, 0.6771086, 0 ], [ 0, 0, 0.6771086 ] ]
-73.586611
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00119225, -0.00084305 ], [ 0.00103252, -0.00059613, 0.00084305 ], [ 0.00103252, 0.00059613, -0.00084305 ], [ -0.00103252, -0.00059613, 0.00084305 ], [ 0, 0.00119225, 0.00084305 ], [ -0.00103252, 0.00059613, -0.00084305 ] ]
0.000001
4.55397
pbe
true
3b0a319eab92cd21958dcf48e6565154_225_Zr1Nb1Tl2O6
[ "Nb", "Os", "Pu", "Si" ]
5
A2BCD
NbOsPuSi2
Pu1 Nb1 Si2 Os1
4
[ 1, 1, 1 ]
3
[ [ 3.99903269, 0, 0 ], [ 0, 3.99903269, 0 ], [ -1.99951635, -1.99951634, 5.5421994 ] ]
agm005019405
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 1.9995163475, 2.7710997 ], [ 1.9995163239314417, 1.9995163260782316, 1.189793769570606 ], [ 1.6068558590000083e-8, 2.3921768642272423e-8, 4.352405630429394 ], [ 1.9995163425, 2.4999999848063226e-9, 2.7710997 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pu", "Nb", "Si", "Si", "Os" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.87768, 0, 0 ], [ 0, 5.87768, 0 ], [ 0, 0, 5.1928368 ] ]
-48.896434
[ 5.147, 0.013, -0.022, -0.022, -0.035 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0063434 ], [ 0, 0, -0.0063434 ], [ 0, 0, 0 ] ]
5.4354
10.93286
pbe
true
80fb98d137e1c23d11f98e71b5cb2ea0_119_Pu1Nb1Si2Os1
[ "Nb", "P", "Rh", "Sr" ]
5
A2BCD
NbP2RhSr
Sr1 Nb1 P2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.08155941, 0, 0 ], [ 0, 4.08155941, 0 ], [ -2.0407797, -2.0407797, 6.0362903 ] ]
agm005022778
[ [ 0, 0, 0 ], [ 2.4999999848063226e-9, 2.0407797074999996, 3.01814515 ], [ 2.0407797063610307, 2.0407797063610307, 1.643115765385666 ], [ 3.638968804283646e-9, 3.638968804283646e-9, 4.393174534614333 ], [ 2.0407797074999996, 2.4999999848063226e-9, 3.01814515 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Sr", "Nb", "P", "P", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.8463416, 0, 0 ], [ 0, 2.8463416, 0 ], [ 0, 0, 3.2893584 ] ]
-34.386206
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00176742 ], [ 0, 0, -0.00176742 ], [ 0, 0, 0 ] ]
0.000011
2.933557
pbe
true
e87d738a7ff3d7b4bd46f96c9afe8e46_119_Sr1Nb1P2Rh1
[ "Nb", "P", "S", "Te" ]
12
ABCD
NbPSTe
Nb3 Te3 P3 S3
4
[ 1, 1, 1 ]
3
[ [ 3.31749607, 0, 0 ], [ -1.65874804, 2.87303588, 0 ], [ 0, 0, 26.19255598 ] ]
agm002124968
[ [ 0, 0, 18.374715808708114 ], [ -0.0000016620813701691998, 1.9153582110119602, 9.643872546226772 ], [ 1.65874969208137, 0.9576776689880401, 0.9130030911894531 ], [ 0, 0, 5.707977663916487 ], [ -0.0000016620813701691998, 1.9153582110119602, 23.169690381435146 ], [ 1.65874969208137, 0.9576776689880401, 14.438820926397826 ], [ 0, 0, 25.388702770015964 ], [ -0.0000016620813701691998, 1.9153582110119602, 16.657859507534624 ], [ 1.65874969208137, 0.9576776689880401, 7.926990052497303 ], [ 0, 0, 11.206016753142078 ], [ -0.0000016620813701691998, 1.9153582110119602, 2.475173490660738 ], [ 1.65874969208137, 0.9576776689880401, 19.93686001562342 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Nb", "Nb", "Nb", "Te", "Te", "Te", "P", "P", "P", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.37632054, 0, 0 ], [ 0, 0.37632054, 0 ], [ 0, 0, 0.18834612 ] ]
-72.957171
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00086103 ], [ 0, 0, -0.00086103 ], [ 0, 0, -0.00086103 ], [ 0, 0, -0.00053697 ], [ 0, 0, -0.00053697 ], [ 0, 0, -0.00053697 ], [ 0, 0, 0.00189499 ], [ 0, 0, 0.00189499 ], [ 0, 0, 0.00189499 ], [ 0, 0, -0.00049698 ], [ 0, 0, -0.00049698 ], [ 0, 0, -0.00049698 ] ]
0
3.579777
pbe
true
c6d0bf425374855a95b97b09472c98a8_160_Nb3Te3P3S3
[ "Nb", "P", "S", "Tl" ]
28
A10B2CD
Nb2PS10Tl
Nb2 P1 S10 Tl1
4
[ 1, 1, 1 ]
3
[ [ 7.071115, 0, 0.013006 ], [ 0, 7.547892, 0 ], [ -3.252422, 0, 12.552217 ] ]
oqmd-2028770
[ [ 5.438849999999996, 3.352010000000004, 2.0045000000000055 ], [ -0.87492, 4.247499999999999, 4.6492 ], [ 0.27707999999999916, 4.195880000000001, 8.274099999999999 ], [ 1.03443, 3.3003899999999984, 10.93181 ], [ 0.6735199999999992, 6.79189, 6.163570000000001 ], [ 2.582870000000002, 0.7559999999999965, 12.44618 ], [ 4.436089999999998, 5.015310000000004, 0.30508 ], [ 3.1911000000000005, 3.421439999999998, 0.6970099999999998 ], [ 5.428750000000001, 0.7405900000000002, 1.9200499999999976 ], [ 0.3070399999999994, 4.861149999999998, 2.4682200000000054 ], [ 0.6119800000000032, 2.941180000000001, 3.114489999999995 ], [ 4.0245799999999985, 4.765150000000001, 3.552869999999998 ], [ 4.193410000000001, 2.8188500000000003, 4.09859 ], [ -1.0696500000000004, 6.788929999999999, 5.045440000000001 ], [ 1.9281799999999996, 0.6617299999999998, 5.5684599999999955 ], [ 1.3768000000000002, 4.8312800000000005, 5.935690000000004 ], [ -0.7256800000000035, 2.5325800000000007, 6.574690000000002 ], [ 5.100450000000001, 4.126449999999999, 6.979620000000006 ], [ 0.26699000000000345, 6.8073, 8.189659999999996 ], [ 2.2163899999999965, 2.68674, 8.750830000000004 ], [ 2.521329999999999, 4.606709999999996, 9.397099999999991 ], [ -1.137189999999996, 2.7827400000000035, 9.82248 ], [ -0.9683599999999988, 4.729049999999997, 10.368190000000006 ], [ 0.839690000000002, 0.7589599999999975, 11.328059999999995 ], [ 3.837530000000003, 6.886170000000001, 11.851069999999993 ], [ 3.286149999999996, 2.7166100000000037, 12.218300000000005 ], [ 2.2565899999999988, 0.05436999999999999, 1.3861600000000014 ], [ 4.165940000000001, 7.493530000000003, 7.66877 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Nb", "Nb", "Nb", "Nb", "P", "P", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "Tl", "Tl" ]
2024-11-01 00:00:00
[ 0.14285714285714285, 0.07142857142857142, 0.7142857142857143, 0.07142857142857142 ]
[ [ 7.55827, 0, 0.09362 ], [ 0, 7.51427, 0 ], [ 0.09362, 0, 7.37703 ] ]
-155.09
[ 0.001, 0.001, 0.001, 0.001, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.010726, 0.013559, -0.00713 ], [ 0.005732, -0.015619, 0.019967 ], [ -0.010726, -0.013559, -0.00713 ], [ 0.005732, 0.015619, 0.019967 ], [ -0.008995, -0.01554, 0.011622 ], [ -0.008995, 0.01554, 0.011622 ], [ -0.012389, -0.051552, 0.012597 ], [ 0.071407, 0.043489, -0.010966 ], [ 0.006823, -0.006502, -0.036694 ], [ -0.020913, -0.048679, 0.038455 ], [ -0.041803, 0.035986, -0.019058 ], [ 0.023789, -0.027973, 0.006386 ], [ 0.007838, 0.033687, -0.007859 ], [ 0.02611, 0.018332, 0.006271 ], [ -0.022291, -0.01041, 0.007763 ], [ -0.033661, 0.009524, 0.003391 ], [ -0.012389, 0.051552, 0.012597 ], [ 0.071407, -0.043489, -0.010966 ], [ 0.006823, 0.006502, -0.036694 ], [ -0.020913, 0.048679, 0.038455 ], [ -0.041803, -0.035986, -0.019058 ], [ 0.023789, 0.027973, 0.006386 ], [ 0.007838, -0.033687, -0.007859 ], [ 0.02611, -0.018332, 0.006271 ], [ -0.022291, 0.01041, 0.007763 ], [ -0.033661, -0.009524, 0.003391 ], [ 0.009078, -0.007959, -0.024744 ], [ 0.009078, 0.007959, -0.024744 ] ]
0.015519
null
pbe
true
57df23e69083050875f7f4857500d997_7_Nb4Tl2P2S20
[ "Nb", "P", "S", "Tl" ]
28
A10B2CD
Nb2PS10Tl
Nb4 Tl2 P2 S20
4
[ 1, 1, 1 ]
3
[ [ 7.81287097, 0, 0 ], [ 0, 7.37764895, 0.04591181 ], [ 0, 3.95471866, 12.57957622 ] ]
agm005233194
[ [ 4.327279764363244, 5.658559101939773, 2.0476710371410816 ], [ 3.485591205636755, 7.635918431939774, 8.337459147141082 ], [ 4.358086070855373, 8.439142907785415, 10.99691741203019 ], [ 3.4547848991446255, 6.461783577785416, 4.707129302030189 ], [ 0.033052428767294695, 4.451374750404084, 7.48729077987639 ], [ 7.779818541232705, 2.4740154204040845, 1.1975026698763906 ], [ 6.930535325022408, 10.011344163510302, 12.50543080610455 ], [ 0.8823356449775919, 8.033984833510303, 6.215642696104551 ], [ 0.8889121291165895, 6.31546081016583, 5.046996772607743 ], [ 2.8521706608723947, 8.721178912552254, 5.983052794296594 ], [ 5.170610979211177, 6.629351896001901, 6.6430850179287955 ], [ 4.790643406376843, 7.906112353357967, 3.1494643156855457 ], [ 2.940020066504559, 6.415063403441969, 10.447704690628786 ], [ 2.862393177506962, 7.638481832468873, 2.52096517327406 ], [ 4.950477792493038, 9.615841162468874, 8.81075328327406 ], [ 6.929902951246096, 5.57082048473096, 1.9337643634742439 ], [ 7.26321182426146, 1.9097439729477697, 5.619235496527239 ], [ 4.960700309127605, 10.698538242552255, 12.272840904296594 ], [ 4.872850903495441, 4.437704073441969, 4.157916580628786 ], [ 4.231740384221438, 3.4103539514074352, 0.7549561147116968 ], [ 6.92395884088341, 8.29282014016583, 11.336784882607745 ], [ 2.921606692202463, 4.27175828439846, 3.6330053443655097 ], [ 4.891264277797537, 6.24911761439846, 9.92279345436551 ], [ 2.6422599907888236, 4.651992566001901, 0.3532969079287955 ], [ 3.022227563623157, 9.883471683357968, 9.439252425685545 ], [ 0.8829680187539037, 7.548179814730959, 8.223552473474243 ], [ 3.581130585778561, 5.387713281407435, 7.044744224711697 ], [ 0.549659145738539, 3.88710330294777, 11.909023606527239 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Nb", "Nb", "Nb", "Nb", "Tl", "Tl", "P", "P", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.07142857142857142, 0.7142857142857143, 0.07142857142857142 ]
[ [ 0.5179027, 0, 0 ], [ 0, 0.5595767, -0.01641468 ], [ 0, -0.01641463, 0.4752207 ] ]
-155.253805
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00468527, -0.00059981, -0.00215279 ], [ -0.00468527, -0.00059981, -0.00215279 ], [ -0.00065356, 0.00212477, 0.00035167 ], [ 0.00065356, 0.00212477, 0.00035167 ], [ -0.00170611, 0.00080023, -0.00336292 ], [ 0.00170611, 0.00080023, -0.00336292 ], [ -0.00369162, 0.0021023, -0.00279364 ], [ 0.00369162, 0.0021023, -0.00279364 ], [ 0.00220133, 0.00300505, 0.00139477 ], [ -0.00318687, -0.00296672, 0.0023584 ], [ -0.00031628, -0.00082343, 0.0008949 ], [ -0.00364541, -0.00218265, -0.00125055 ], [ 0.00447523, 0.00129868, -0.00012682 ], [ 0.00297908, -0.00057549, 0.00229186 ], [ -0.00297908, -0.00057549, 0.00229186 ], [ -0.00191755, -0.00144274, -0.00292491 ], [ 0.00193457, -0.0024113, 0.00152048 ], [ 0.00318687, -0.00296672, 0.0023584 ], [ -0.00447523, 0.00129868, -0.00012682 ], [ -0.00209906, 0.00044186, 0.00133051 ], [ -0.00220133, 0.00300505, 0.00139477 ], [ 0.00527483, 0.00122926, 0.00246904 ], [ -0.00527483, 0.00122926, 0.00246904 ], [ 0.00031628, -0.00082343, 0.0008949 ], [ 0.00364541, -0.00218265, -0.00125055 ], [ 0.00191755, -0.00144274, -0.00292491 ], [ 0.00209906, 0.00044186, 0.00133051 ], [ -0.00193457, -0.0024113, 0.00152048 ] ]
0
-0.001517
pbe
true
af19275a32b0ee9b5c05ca31e023ee63_7_Nb4Tl2P2S20
[ "Al", "Hf", "Sm" ]
4
A2BC
Al2HfSm
Sm1 Hf1 Al2
3
[ 1, 1, 1 ]
3
[ [ 3.61018174, 0, 0 ], [ 0, 3.61018174, 0 ], [ 0, 0, 6.68814343 ] ]
agm001157862
[ [ 1.80509087, 1.80509087, 0 ], [ 0, 0, 5.296492937480033 ], [ 0, 0, 1.3916504925199675 ], [ 1.80509087, 1.80509087, 3.344071715 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Hf", "Al", "Al", "Sm" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.3857523, 0, 0 ], [ 0, 1.3857523, 0 ], [ 0, 0, 1.3064573 ] ]
-23.273249
[ -0.001, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00506746 ], [ 0, 0, -0.00506746 ], [ 0, 0, 0 ] ]
-0.001027
4.088688
pbe
true
64dd7909c5baa62d6e63351d96d9d47a_123_Sm1Hf1Al2
[ "Nb", "Pa", "Pt", "Si" ]
5
A2BCD
NbPaPtSi2
Pa1 Nb1 Si2 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.09978951, 0, 0 ], [ 0, 4.09978951, 0 ], [ -2.04989475, -2.04989475, 5.3689373 ] ]
agm005017825
[ [ 0, 0, 0 ], [ 2.0498947574999997, 2.4999999848063226e-9, 2.68446865 ], [ 2.049894735590831, 2.049894735590831, 1.170190755924475 ], [ 2.440916879179437e-8, 2.440916879179437e-8, 4.198746544075525 ], [ 2.4999999848063226e-9, 2.0498947574999997, 2.68446865 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Pa", "Nb", "Si", "Si", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.0287194, 0, 0 ], [ 0, 4.0287194, 0 ], [ 0, 0, 3.512492 ] ]
-39.767736
[ 0.001, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00085837 ], [ 0, 0, -0.00085837 ], [ 0, 0, 0 ] ]
0.001463
5.299888
pbe
true
cf88a12c411a03611d69bb0964f9bbe7_119_Pa1Nb1Si2Pt1
[ "Nb", "Pa", "Rh", "Si" ]
5
A2BCD
NbPaRhSi2
Pa1 Nb1 Si2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.07761121, 0, 0 ], [ 0, 4.07761121, 0 ], [ -2.03880561, -2.0388056, 5.36008268 ] ]
agm005019375
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.0388056074999996, 2.68004134 ], [ 2.038805583516953, 2.0388055857069345, 1.1738482979686955 ], [ 1.6483046782575078e-8, 2.4293065035109918e-8, 4.186234382031304 ], [ 2.0388056024999996, 2.4999999848063226e-9, 2.68004134 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Pa", "Nb", "Si", "Si", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.0584345, 0, 0 ], [ 0, 4.0584345, 0 ], [ 0, 0, 3.9019883 ] ]
-40.950529
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00053658 ], [ 0, 0, -0.00053658 ], [ 0, 0, 0 ] ]
0.000186
6.918261
pbe
true
6a935f31c0d55b56c5be9081422fb6a7_119_Pa1Nb1Si2Rh1
[ "Nb", "Pd", "Pt", "Rh" ]
10
A2BCD
NbPdPt2Rh
Nb2 Pd2 Pt4 Rh2
4
[ 1, 1, 1 ]
3
[ [ 3.95839185, 0, 0 ], [ 0, 6.2900923, 0.4649523 ], [ 0, -0.41272885, 6.24284165 ] ]
agm005005425
[ [ 2.9687938875, 4.649480247151995, 1.8568838884385306 ], [ 0.9895979625, 1.2278832028480047, 4.8509100615614695 ], [ 2.9687938875, 5.705437711908851, 4.51286426187614 ], [ 0.9895979625, 0.17192573809115003, 2.19492968812386 ], [ 0.9895979625, 2.7843332245422303, 1.11951940099868 ], [ 0.9895979625, 3.8562049690261073, 3.7190520863408465 ], [ 2.9687938875, 2.021158480973893, 2.9887418636591527 ], [ 2.9687938875, 3.09303022545777, 5.58827454900132 ], [ 2.9687938875, 0.9107125091019805, 0.36860808760855546 ], [ 0.9895979625, 4.9666509408980195, 6.339185862391444 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Nb", "Nb", "Pd", "Pd", "Pt", "Pt", "Pt", "Pt", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 8.990349, 0, 0 ], [ 0, 8.914155, -0.04545827 ], [ 0, -0.04545837, 9.045855 ] ]
-73.658452
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00566244, -0.00013524 ], [ 0, -0.00566244, 0.00013524 ], [ 0, -0.00128688, -0.00010969 ], [ 0, 0.00128688, 0.00010969 ], [ 0, -0.00116969, 0.00110645 ], [ 0, 0.00109495, 0.00388836 ], [ 0, -0.00109495, -0.00388836 ], [ 0, 0.00116969, -0.00110645 ], [ 0, 0.00230314, 0.00224456 ], [ 0, -0.00230314, -0.00224456 ] ]
0.000019
11.612315
pbe
true
9ab678d3f20d32b681bba6e75dd58ed1_11_Nb2Pd2Pt4Rh2
[ "Nb", "Pd", "S", "Ta" ]
20
A6B2CD
NbPd2S6Ta
Ta2 Nb2 Pd4 S12
4
[ 1, 1, 1 ]
3
[ [ 6.03702379, -0.29865424, -0.30993568 ], [ 1.42188702, 8.17252365, 0.63234811 ], [ 1.42188702, 0.32902941, 8.19034472 ] ]
agm004979879
[ [ 2.9311429675, 7.30645050152975, 1.3174670304885594 ], [ 5.949654862500001, 0.8964483184702513, 7.195290119511442 ], [ 2.9311429675, 2.234758494460837, 6.204553043876253 ], [ 5.9496548625, 5.968140325539164, 2.308204106123748 ], [ 3.0669574932123833, 6.385562229613025, 5.454198396535858 ], [ 2.7953284417876163, 3.1384317867846674, 2.0844100443685476 ], [ 5.8138403367876155, 1.8173365903869758, 3.0585587534641423 ], [ 6.085469388212384, 5.064467033215333, 6.428347105631453 ], [ 3.2163013221269567, 8.100116179841605, 7.197114804303802 ], [ 2.6459846128730438, 1.4602563550159187, 0.3064392704235934 ], [ 5.664496507873043, 0.10278264015839564, 1.3156423456961983 ], [ 6.234813217126957, 6.7426424649840815, 8.206317879576407 ], [ 4.052584973729236, 7.200894102033384, 3.385420425901945 ], [ 1.809700961270764, 5.2360057458886295, 1.346309890755881 ], [ 4.828212856270764, 1.0020047179666163, 5.127336724098056 ], [ 7.071096868729236, 2.966893074111371, 7.166447259244119 ], [ 7.011816335459147, 5.550719437913367, 4.352123322486128 ], [ 4.887493389540854, 3.9101551369354417, 2.649587939657673 ], [ 1.8689814945408532, 2.6521793820866337, 4.160633827513872 ], [ 3.9933044404591467, 4.292743683064559, 5.863169210342328 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Ta", "Ta", "Nb", "Nb", "Pd", "Pd", "Pd", "Pd", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.6, 0.1 ]
[ [ 2.1270914, 0.02470662, 0.0256399 ], [ 0.02470665, 2.051276, -0.14561595 ], [ 0.02563993, -0.14561595, 2.0404751 ] ]
-125.689589
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00114548, 0.00110379 ], [ 0, 0.00114548, -0.00110379 ], [ 0, -0.00591908, 0.00570363 ], [ 0, 0.00591908, -0.00570363 ], [ 0.00272519, 0.00408197, -0.00001489 ], [ -0.00272519, 0.00016616, -0.00407862 ], [ -0.00272519, -0.00408197, 0.00001489 ], [ 0.00272519, -0.00016616, 0.00407862 ], [ 0.00171943, 0.00291927, 0.00017391 ], [ -0.00171943, -0.0000656, -0.00292371 ], [ -0.00171943, -0.00291927, -0.00017391 ], [ 0.00171943, 0.0000656, 0.00292371 ], [ -0.00046203, -0.00144236, 0.00175547 ], [ 0.00046203, -0.00180772, 0.00137631 ], [ 0.00046203, 0.00144236, -0.00175547 ], [ -0.00046203, 0.00180772, -0.00137631 ], [ -0.00006033, 0.00305016, -0.00101009 ], [ 0.00006033, 0.00112244, -0.00301063 ], [ 0.00006033, -0.00305016, 0.00101009 ], [ -0.00006033, -0.00112244, 0.00301063 ] ]
-0.000029
14.20275
pbe
true
86512aeff72450e59996ee44ccd1107c_15_Ta2Nb2Pd4S12
[ "Al", "Hf", "Sn" ]
4
A2BC
AlHfSn2
Al1 Hf1 Sn2
3
[ 1, 1, 1 ]
3
[ [ 0, 3.585779831, 3.585779831 ], [ 3.585779831, 0, 3.585779831 ], [ 3.585779831, 3.585779831, 0 ] ]
oqmd-5397735
[ [ 3.5857799999999984, 3.5857799999999984, 3.5857799999999984 ], [ 1.7928899999999992, 1.7928899999999992, 1.7928899999999992 ], [ 0, 0, 0 ], [ 5.378669999999997, 5.378669999999997, 5.378669999999997 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Al", "Hf", "Sn", "Sn" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.5 ]
[ [ 7.07914408, 0, 0 ], [ 0, 7.07914408, 0 ], [ 0, 0, 7.07914408 ] ]
-20.5927
[ 0.001, 0.014, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.032922
null
pbe
true
685e576c5532b18bbffcc7f122257d4a_216_Hf1Al1Sn2
[ "Nb", "Rb", "Se", "Tm" ]
12
A3BCD
NbRbSe3Tm
Nb1 Rb1 Se3 Tm1
4
[ 1, 1, 1 ]
3
[ [ 2.048691207, -7.829593991, 0 ], [ 2.048691207, 7.829593991, 0 ], [ 0, 0, 10.699766149 ] ]
oqmd-7490142
[ [ 2.04869, 7.3295499999999985, 2.67494 ], [ 2.0486899999999997, -7.329549999999999, 8.02482 ], [ 2.04869, -4.00183, 2.67494 ], [ 2.04869, 4.001829999999998, 8.02482 ], [ 2.04869, 5.91637, 0.55634 ], [ 2.04869, 1.0738299999999992, 2.67494 ], [ 2.04869, 5.91637, 4.793539999999999 ], [ 2.04869, -5.91637, 5.90622 ], [ 2.04869, -1.0738300000000005, 8.02482 ], [ 2.04869, -5.91637, 10.143430000000002 ], [ 2.04869, -4.697900680227035e-16, 0 ], [ 2.04869, -4.697900680227035e-16, 5.34988 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Nb", "Nb", "Rb", "Rb", "Se", "Se", "Se", "Se", "Se", "Se", "Tm", "Tm" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 4.20387745, 0, 0 ], [ 0, 5.02403011, 0 ], [ 0, 0, 4.13633221 ] ]
-65.6942
[ 0.872, 0.872, 0.005, 0.005, 0.011, 0.005, 0.011, 0.011, 0.006, 0.011, 0.065, 0.065 ]
[ [ 0, 0.020754, 0 ], [ 0, -0.020754, 0 ], [ 0, -0.018101, 0 ], [ 0, 0.018101, 0 ], [ 0, 0.047989, 0.026064 ], [ 0, -0.034613, 0 ], [ 0, 0.047989, -0.026064 ], [ 0, -0.047989, 0.026064 ], [ 0, 0.034613, 0 ], [ 0, -0.047989, -0.026064 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.64442
null
pbe
true
ce3eb8af7828422e64114eaf011f32b8_63_Rb2Tm2Nb2Se6
[ "Nb", "Rh", "Si", "Th" ]
5
A2BCD
NbRhSi2Th
Th1 Nb1 Si2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.17113802, 0, 0 ], [ 0, 4.17113802, 0 ], [ -2.08556901, -2.085569, 5.36862653 ] ]
agm005019374
[ [ 0, 0, 0 ], [ 0, 2.085569015, 2.684313265 ], [ 2.08556901, 2.0855690122721873, 1.2198524483046418 ], [ 4.115049334571381e-17, 7.727812794184935e-9, 4.148774081695358 ], [ 2.0855690099999995, 4.999999969612645e-9, 2.684313265 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Th", "Nb", "Si", "Si", "Rh" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.2421145, 0, 0 ], [ 0, 3.2421145, 0 ], [ 0, 0, 3.5527806 ] ]
-39.392714
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0061577 ], [ 0, 0, -0.0061577 ], [ 0, 0, 0 ] ]
0.000156
6.145956
pbe
true
95bc15b11b399c115663f2bd60bbc470_119_Th1Nb1Si2Rh1
[ "Nb", "Ru", "Si", "Sm" ]
5
A2BCD
NbRuSi2Sm
Sm1 Nb1 Si2 Ru1
4
[ 1, 1, 1 ]
3
[ [ 4.06456571, 0, 0 ], [ 0, 4.06456571, 0 ], [ -2.03228285, -2.03228285, 5.51491173 ] ]
agm005018274
[ [ 0, 0, 0 ], [ 2.0322828575000003, 2.4999999848063226e-9, 2.757455865 ], [ 2.0322828357842435, 2.0322828357842435, 1.2210804857070907 ], [ 2.4215756718199575e-8, 2.4215756718199575e-8, 4.2938312442929085 ], [ 2.4999999848063226e-9, 2.0322828575000003, 2.757455865 ] ]
[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Sm", "Nb", "Si", "Si", "Ru" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 3.6421318, 0, 0 ], [ 0, 3.6421318, 0 ], [ 0, 0, 3.7189183 ] ]
-38.273133
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0016438 ], [ 0, 0, -0.0016438 ], [ 0, 0, 0 ] ]
-0.000017
3.274741
pbe
true
56a78878f8c08d7dff5f55cebb8305ea_119_Sm1Nb1Si2Ru1
[ "Nb", "Si", "Sm", "Ta" ]
5
A2BCD
NbSi2SmTa
Sm1 Ta1 Nb1 Si2
4
[ 1, 1, 1 ]
3
[ [ 4.04620643, 0, 0 ], [ 0, 4.04620643, 0 ], [ -2.02310322, -2.02310322, 5.87993079 ] ]
agm005019193
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.0231032124999997, 2.939965395 ], [ 2.0231032124999997, -2.4999999848063226e-9, 2.939965395 ], [ 2.023103193741323, 2.023103193741323, 1.208496354137218 ], [ 1.6258677395244026e-8, 1.6258677395244026e-8, 4.671434435862782 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Sm", "Ta", "Nb", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.8747191, 0, 0 ], [ 0, 2.8747191, 0 ], [ 0, 0, 2.8713658 ] ]
-40.725598
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00320177 ], [ 0, 0, 0.00320177 ] ]
0
2.214599
pbe
true
52eb447edceeab5cd1668fd5487edb94_119_Sm1Ta1Nb1Si2
[ "Nb", "Si", "Ta", "Th" ]
5
A2BCD
NbSi2TaTh
Th1 Ta1 Nb1 Si2
4
[ 1, 1, 1 ]
3
[ [ 4.10817379, 0, 0 ], [ 0, 4.10817379, 0 ], [ -2.0540869, -2.05408689, 5.8140526 ] ]
agm005019196
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.0540868975000004, 2.9070263 ], [ 2.0540868925, 2.4999999848063226e-9, 2.9070263 ], [ 2.0540868734121234, 2.054086875506139, 1.217471742502582 ], [ 1.658787687426488e-8, 2.449386112621649e-8, 4.596580857497418 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}]
[ "Th", "Ta", "Nb", "Si", "Si" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.5276418, 0, 0 ], [ 0, 2.5276418, 0 ], [ 0, 0, 2.4090974 ] ]
-43.446526
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0007362 ], [ 0, 0, -0.0007362 ] ]
0
2.013987
pbe
true
eccf66b0211e5d4be6f83dc6c2fe87dd_119_Th1Ta1Nb1Si2
[ "F", "La", "Pr", "Se" ]
6
A2B2CD
F2LaPrSe2
F2 La1 Pr1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.059896254, 0, 0 ], [ 0, 4.059896254, 0 ], [ 0, 0, 7.197630638 ] ]
oqmd-6513201
[ [ 2.02995, 0, 7.1896 ], [ 0, 2.02995, 7.1896 ], [ 0, 0, 1.5732 ], [ 2.02995, 2.02995, 5.61586 ], [ 2.02995, 2.02995, 2.57742 ], [ 0, 0, 4.64482 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "F", "F", "La", "Pr", "Se", "Se" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.3333333333333333 ]
[ [ 36.91614523, 0, 0 ], [ 0, 36.91614523, 0 ], [ 0, 0, 32.73688308 ] ]
-38.0584
[ 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.000364 ], [ 0, 0, -0.000364 ], [ 0, 0, -0.000583 ], [ 0, 0, 0.014545 ], [ 0, 0, -0.086394 ], [ 0, 0, 0.073161 ] ]
0.006303
null
pbe
true
48db7b443a1514e19660f39ff42efd75_99_La1Pr1Se2F2
[ "F", "Li", "Mn", "O" ]
19
A8B6C4D
F8LiMn6O4
F8 Li1 Mn6 O4
4
[ 1, 1, 1 ]
3
[ [ -5.13587289, -0.27672958, -0.10115041 ], [ 0.13403344, 4.88414718, -6.23343903 ], [ -0.35563538, -5.08789892, -3.25885369 ] ]
mp-1235365
[ [ -4.243608115722806, 0.9715935333189818, -4.46131040941388 ], [ -2.799152888563564, 1.9243348806824043, -7.894092789807817 ], [ -2.410684370421209, 2.5607320889957976, -4.808398941410362 ], [ -2.779763209907333, -2.724690168981917, -4.860831303388352 ], [ -5.00105240190119, -0.3637051238194102, -6.547793797386466 ], [ -0.7935645375076481, -0.6607954779452756, -3.218166517038278 ], [ -5.033838602039011, -0.3782540009537696, -0.1794264396996153 ], [ -4.126656615047463, -1.2444528784042843, -8.140167776231007 ], [ -3.563117709958507, 1.241644440507073, -6.3195624089694356 ], [ -3.137051817216007, 1.794673165647064, -3.240344608979051 ], [ -2.049171974871536, -2.1692574914399447, -3.184516975483394 ], [ -4.2491189171772925, -1.0068110326778286, -4.6128164732143695 ], [ -4.363320271870817, -1.5709392394763448, -1.8408857498061915 ], [ -3.996169145946947, -3.8106448430439612, -3.6410440060551172 ], [ -1.5125995667148384, -1.5167753564584103, -5.871611945495801 ], [ -1.4930434339322889, 3.2282593181020403, -6.439140318352258 ], [ -0.9392399452139418, 1.1001738979366493, -4.671816640522202 ], [ -0.9875648951900624, 0.7343827345725625, -1.6881373348245428 ], [ -1.3244152215596854, 0.5678628892004394, -7.925943385475923 ] ]
[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Li", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F" ]
2019-03-27 07:30:49
[ 0.42105263157894735, 0.05263157894736842, 0.3157894736842105, 0.21052631578947367 ]
[ [ -1.94640945, 0.45716583, 0.29756923 ], [ 0.45716609, -2.00745065, -0.02300883 ], [ 0.29756892, -0.02300955, -2.64895403 ] ]
-122.622634
[ -0.007, 3.993, 4.014, 4.01, 4.622, 4.638, 4.639, -0.039, 0.027, -0.084, -0.057, 0.05, 0.025, 0.029, 0.023, 0.035, 0.021, 0.052, 0.021 ]
[ [ -0.02697212, 0.01901967, 0.03644864 ], [ 0.00369742, -0.02288766, -0.00258466 ], [ -0.00219165, -0.00347186, -0.03896003 ], [ 0.02433975, 0.00728229, 0.01198655 ], [ 0.01193452, 0.01599487, 0.01769076 ], [ -0.01090627, -0.03210871, -0.01491441 ], [ -0.00027881, 0.02019194, -0.01270145 ], [ 0.00727652, 0.01768852, -0.00992103 ], [ -0.00035926, 0.0062226, 0.01004054 ], [ 0.00202539, 0.0287223, -0.00355914 ], [ 0.00209961, -0.02035929, -0.00180705 ], [ 0.00467366, 0.01909309, 0.01407581 ], [ -0.00089266, -0.00914544, 0.0016603 ], [ -0.00764029, 0.01497351, -0.01777153 ], [ 0.0190354, -0.00774278, 0.0348498 ], [ -0.00580835, -0.01684116, -0.00667582 ], [ -0.01327993, -0.00402719, -0.00759087 ], [ -0.00505824, -0.02592654, -0.02104357 ], [ -0.00169469, -0.00667816, 0.01077717 ] ]
26.012
1.472953
pbe
true
cd2c936d6fed61bcfbd0ce876c387e9b_1_Li1Mn6O4F8
[ "F", "Li", "Rb", "Sb" ]
10
A6B2CD
F6LiRb2Sb
Rb2 Li1 Sb1 F6
4
[ 1, 1, 1 ]
3
[ [ 6.17460983, 0, 0 ], [ 3.08730492, 5.34736897, 0 ], [ 3.08730492, 1.78245632, 5.04154782 ] ]
agm003204602
[ [ 9.2619147525, 5.3473689675000005, 3.781160865 ], [ 3.0873049174999996, 1.7824563224999999, 1.260386955 ], [ 6.174609834999999, 3.5649126449999997, 2.52077391 ], [ 0, 0, 0 ], [ 6.17460983253726, 1.8090230497060804, 1.2791724679940146 ], [ 4.653964838171956, 2.686967846121671, 3.762375352005985 ], [ 6.1746098374627385, 5.3208022402939195, 3.762375352005985 ], [ 4.653964838171956, 4.442857443878329, 1.2791724679940146 ], [ 7.695254831828042, 2.686967846121671, 3.762375352005985 ], [ 7.695254831828042, 4.442857443878329, 1.2791724679940146 ] ]
[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Rb", "Rb", "Li", "Sb", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.6, 0.1, 0.2, 0.1 ]
[ [ 1.2187531, 0, 0 ], [ 0, 1.2187531, 0 ], [ 0, 0, 1.2187531 ] ]
-45.68157
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00351874, -0.00248813 ], [ -0.00304732, -0.00175937, 0.00248813 ], [ 0, 0.00351874, 0.00248813 ], [ -0.00304732, 0.00175937, -0.00248813 ], [ 0.00304732, -0.00175937, 0.00248813 ], [ 0.00304732, 0.00175937, -0.00248813 ] ]
-0.000018
0
pbe
true
0a8e9d655fa8c4a83a1aa6364402c4da_225_Rb2Li1Sb1F6
[ "F", "Mg", "Mn", "O" ]
19
A8B6C4D
F8MgMn6O4
Mg1 Mn6 O4 F8
4
[ 1, 1, 1 ]
3
[ [ 5.30648888, 0.04071755, 0.01421509 ], [ 1.09187602, 5.93098305, 0.00914851 ], [ 0.92678911, 0.68795649, 7.98810299 ] ]
agm005218726
[ [ 3.744207546367838, 5.0113012564336605, 1.4871411230777583 ], [ 3.682382630588853, 3.3537195669687283, 7.721924050956957 ], [ 4.905730679594056, 5.502509493628595, 5.303724450505706 ], [ 3.462069156924104, 1.669514149044274, 2.8849160511338607 ], [ 6.0416538043812045, 2.4342959636341495, 5.317369048959819 ], [ 1.091415225622865, 4.251871985334914, 2.619829711479772 ], [ 6.194286661498238, 0.7241399504197613, 7.770167205647392 ], [ 5.243162207609675, 0.855810521567858, 5.976266430390023 ], [ 4.728833062622529, 3.5937242284272832, 5.999519916770349 ], [ 4.918112317964734, 5.441538285761419, 3.150858498941725 ], [ 2.6425926930490893, 3.317610371294331, 1.8694887653437253 ], [ 5.343250660345573, 2.516775927696436, 3.1924497743980966 ], [ 5.441986675169526, 4.234209388718576, 0.7789531938277496 ], [ 3.4925318405949306, 0.8920552693564584, 0.798812108535841 ], [ 2.3842678647329705, 1.3333345264531926, 4.662982695531877 ], [ 3.828662391716893, 5.575415133804361, 7.545478679863944 ], [ 1.6961642880721695, 4.028209070652807, 4.527583730936062 ], [ 2.0469302839504766, 5.961978398099461, 1.833698235385412 ], [ 1.8695609018975978, 2.4909854084137764, 7.267446586656684 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}]
[ "Mg", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F" ]
2023-11-16 06:57:59
[ 0.42105263157894735, 0.05263157894736842, 0.3157894736842105, 0.21052631578947367 ]
[ [ 2.127999, 0.47194502, 0.1732951 ], [ 0.4719453, 2.0752225, 0.10895452 ], [ 0.17329499, 0.10895489, 1.5756193 ] ]
-124.778488
[ 0.004, 4.654, 4.609, 4.644, 4.049, 4.04, 4.664, -0.02, -0.042, -0.028, -0.021, 0.067, 0.027, 0.052, 0.03, 0.046, 0.02, 0.027, 0.075 ]
[ [ -0.00033163, 0.00595058, -0.00214287 ], [ 0.00147772, -0.00400265, -0.0038088 ], [ -0.0035706, -0.00015339, -0.00419494 ], [ 0.00238241, 0.00566341, 0.00105063 ], [ -0.00698246, -0.004462, 0.00066096 ], [ 0.00054188, 0.0017706, -0.00078125 ], [ 0.00285075, -0.00010326, -0.0007922 ], [ 0.00138476, -0.00132575, 0.00180464 ], [ -0.00184331, -0.00217968, 0.00079564 ], [ -0.00132787, 0.00201583, 0.00236231 ], [ 0.00135464, -0.00025667, 0.00097164 ], [ -0.00141073, 0.00301902, -0.0001325 ], [ 0.00179652, -0.00286408, -0.00077354 ], [ -0.00039867, 0.00260877, -0.00034569 ], [ 0.00004784, -0.00179306, 0.00112806 ], [ 0.00262073, 0.00049713, 0.00138161 ], [ 0.00002606, -0.003587, 0.00168602 ], [ 0.00330827, 0.00034177, -0.00059003 ], [ -0.00192632, -0.00113957, 0.0017203 ] ]
28.000002
0.390918
pbe
true
697953cc20991d996becd63672f1c7c2_1_Mg1Mn6O4F8
[ "Nd", "Np", "O", "Tl" ]
20
A6B2CD
NdNpO6Tl2
Nd2 Np2 Tl4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.24793498, -0.00000215, -0.01789939 ], [ -0.00000176, 6.24710459, 0.0000178 ], [ 0.0248518, 0.00002296, 8.83414286 ] ]
agm004935562
[ [ 3.12396749, -0.000001075, -0.008949695 ], [ 0.01242502, 3.123563775, 4.41708033 ], [ 3.1363933900000003, 0.000010405, 4.408121735 ], [ -8.8e-7, 3.123552295, 0.0000089 ], [ 0.006324811343522, 6.246586007847587, 2.2075435256739473 ], [ 3.142878934195732, 3.124058336868233, 6.6162887887037005 ], [ 6.266460208656479, 0.0005393921524131, 6.608717744326053 ], [ 3.1299060858042678, 3.123067063131767, 2.1999724812962995 ], [ 1.4449901762307127, 4.560133753862934, 0.0328034177358512 ], [ 4.581282096919778, 4.810706090995152, 4.440972448440647 ], [ 4.827794843769287, 1.686991646137065, 8.783457852264148 ], [ 1.6915029230802225, 1.4364193090048483, 4.375288821559352 ], [ 1.6998765701571457, 4.802281608156084, 4.3754479239914525 ], [ 4.83603839286982, 4.56844508422122, 8.783583967707536 ], [ 4.5729084498428545, 1.4448437918439159, 4.4408133460085475 ], [ 1.436746627130181, 1.6786803157787804, 0.0326773022924633 ], [ 6.20178195183875, 3.124177669339195, 2.019523951715005 ], [ 3.0901557657987895, 6.246462674651916, 6.445400850947138 ], [ 0.0710030681612506, 3.122947730660805, 6.796737318284994 ], [ 3.182629254201211, 0.0006627253480841, 2.3708604190528617 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "Nd", "Nd", "Np", "Np", "Tl", "Tl", "Tl", "Tl", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.66784364, 0.00036604, 0.00580206 ], [ 0.00036613, 0.64489466, -0.00064279 ], [ 0.00580204, -0.00064298, 0.6897121 ] ]
-149.144955
[ 0.001, 0.001, -0.087, -0.089, 0, 0, 0, 0, 0.004, 0.003, 0.004, 0.003, 0.003, 0.004, 0.003, 0.004, 0.004, 0.003, 0.004, 0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00013222, 0.00017257, 0.00166717 ], [ -0.00000604, -0.00008303, 0.00042675 ], [ -0.00013222, -0.00017257, -0.00166717 ], [ 0.00000604, 0.00008303, -0.00042675 ], [ -0.00154539, 0.00093719, -0.00307232 ], [ 0.00113606, -0.00326621, -0.00313001 ], [ 0.00154539, -0.00093719, 0.00307232 ], [ -0.00113606, 0.00326621, 0.00313001 ], [ -0.00197642, -0.00198328, 0.00168747 ], [ 0.00068349, -0.00031715, 0.00183754 ], [ 0.00197642, 0.00198328, -0.00168747 ], [ -0.00068349, 0.00031715, -0.00183754 ], [ 0.00268944, -0.00117194, -0.00138577 ], [ 0.00268034, 0.00127445, 0.00202762 ], [ -0.00268944, 0.00117194, 0.00138577 ], [ -0.00268034, -0.00127445, -0.00202762 ] ]
-0.13043
-0.551797
pbe
true
8400e81fce88cca6d6142695fa6a4dc1_14_Nd2Np2Tl4O12
[ "Nd", "O", "P", "Rb" ]
72
A12B4CD
NdO12P4Rb
Nd1 O12 P4 Rb1
4
[ 1, 1, 1 ]
3
[ [ 10.401104, 0.000066, 0.037684 ], [ 0.000057, 9.013273, 0.0001 ], [ -3.001288, 0.000097, 10.472645 ] ]
oqmd-3779040
[ [ 4.6515, 2.4514, 1.945689999999996 ], [ 9.44953, 6.9581100000000005, 3.3472800000000023 ], [ -2.049660000000001, 2.0553300000000028, 7.163140000000005 ], [ 2.7483600000000044, 6.562039999999999, 8.564749999999998 ], [ 4.481020000000004, 6.718229999999998, 0.14590000000000009 ], [ 3.2432600000000034, 3.081320000000004, 0.16512000000000024 ], [ 9.45244, 6.400370000000001, 0.95277 ], [ 8.397719999999996, 4.048670000000002, 1.0073499999999995 ], [ 1.1373999999999995, 4.08305, 1.1391599999999993 ], [ 2.7592000000000043, 5.912510000000003, 1.7290599999999985 ], [ 5.098210000000003, 4.824270000000002, 1.8382500000000024 ], [ 5.736310000000003, 0.3074300000000005, 1.8418900000000047 ], [ 2.844809999999999, 0.8246900000000004, 1.9659 ], [ 0.8698600000000044, 8.245670000000002, 2.1919799999999956 ], [ 7.166759999999996, 7.341389999999999, 2.605209999999998 ], [ 9.45619, 2.64505, 2.6401200000000027 ], [ 4.644860000000005, 7.15164, 2.652879999999996 ], [ 6.93436, 2.834809999999997, 2.687759999999997 ], [ 2.829969999999994, 3.7391799999999984, 3.0632100000000047 ], [ 0.8550200000000022, 5.331410000000003, 3.2894000000000023 ], [ 8.364759999999995, 4.81424, 3.4510700000000045 ], [ 9.002829999999994, 0.31767999999999985, 3.454620000000002 ], [ 0.940719999999998, 1.4058699999999995, 3.5261800000000005 ], [ 2.562550000000002, 8.589709999999998, 4.116129999999997 ], [ 5.703380000000004, 8.555339999999996, 4.285659999999996 ], [ 4.648750000000002, 1.893660000000001, 4.340210000000002 ], [ 0.456530000000003, 7.587920000000001, 5.090109999999998 ], [ -0.7810700000000014, 2.211640000000001, 5.109470000000003 ], [ 8.180939999999996, 6.801800000000004, 5.400960000000003 ], [ 6.943339999999996, 1.425520000000002, 5.420309999999999 ], [ 2.751119999999995, 7.119769999999998, 6.17023 ], [ 1.6964899999999947, 0.4580999999999999, 6.22477 ], [ 4.837310000000007, 0.4237200000000004, 6.394299999999996 ], [ 6.459150000000001, 7.6075700000000035, 6.984239999999996 ], [ -1.6029599999999982, 8.695760000000005, 7.055799999999995 ], [ -0.9648900000000024, 4.199200000000005, 7.059360000000001 ], [ 6.5448499999999985, 3.682020000000005, 7.221030000000002 ], [ 4.569909999999998, 5.274249999999997, 7.447219999999999 ], [ 0.4655099999999987, 6.178629999999997, 7.822669999999999 ], [ 2.754999999999999, 1.8617999999999977, 7.857559999999998 ], [ -2.0563100000000003, 6.3683800000000055, 7.870310000000002 ], [ 0.233109999999996, 1.6720400000000002, 7.9052199999999955 ], [ 6.530009999999999, 0.7677600000000002, 8.318449999999999 ], [ 4.555060000000001, 8.188740000000001, 8.544530000000004 ], [ 1.663570000000001, 8.706000000000003, 8.66853 ], [ 2.3016699999999943, 4.189169999999998, 8.672180000000004 ], [ 4.640670000000004, 3.1009300000000004, 8.781369999999997 ], [ 6.262469999999998, 4.930390000000004, 9.371269999999996 ], [ -0.9978399999999944, 4.964769999999999, 9.50308 ], [ -2.0525600000000006, 2.6130700000000004, 9.557659999999998 ], [ 4.156609999999999, 5.932110000000003, 10.3453 ], [ 2.9188500000000017, 2.2952099999999955, 10.364530000000004 ], [ 8.527420000000001, 5.464649999999997, 0.23399999999999976 ], [ 4.350080000000003, 6.072920000000003, 1.4863900000000012 ], [ 1.901690000000006, 4.725420000000002, 2.412189999999995 ], [ 8.183580000000003, 3.640569999999996, 2.540900000000004 ], [ 5.917389999999999, 8.147400000000001, 2.7520499999999983 ], [ 1.798490000000003, 0.21897000000000025, 2.8430000000000017 ], [ -0.6501200000000009, 1.56625, 3.768760000000003 ], [ 5.573419999999998, 0.9580299999999958, 5.05883 ], [ 1.826459999999996, 8.0554, 5.4516000000000036 ], [ 8.050000000000002, 7.447180000000005, 6.741670000000001 ], [ 5.60138, 8.794459999999999, 7.667419999999994 ], [ 1.4824900000000014, 0.8660299999999997, 7.758390000000003 ], [ -0.7837099999999979, 5.372869999999999, 7.969530000000002 ], [ 5.498180000000002, 4.288020000000001, 8.09824 ], [ 3.0497999999999994, 2.940519999999997, 9.024029999999996 ], [ -1.1275399999999984, 3.548790000000003, 10.276419999999996 ], [ 8.277630000000002, 0.6359100000000003, 0.5040600000000004 ], [ 5.823379999999999, 5.1425699999999965, 4.788859999999997 ], [ 1.5764900000000026, 3.8708600000000017, 5.721569999999996 ], [ -0.8777500000000009, 8.377530000000004, 10.00637 ] ]
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Nd", "Nd", "Nd", "Nd", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "P", "Rb", "Rb", "Rb", "Rb" ]
2024-11-01 00:00:00
[ 0.05555555555555555, 0.6666666666666666, 0.2222222222222222, 0.05555555555555555 ]
[ [ 38.12177, -0.07589, 1.29003 ], [ -0.07589, 38.18568, -0.16373 ], [ 1.29003, -0.16373, 38.09989 ] ]
-523.162
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.017729, 0.019551, -0.02193 ], [ -0.016263, 0.018087, 0.020889 ], [ 0.016263, -0.018087, -0.020889 ], [ -0.017729, -0.019551, 0.02193 ], [ -0.025057, -0.006652, 0.057365 ], [ -0.009708, -0.016767, -0.028803 ], [ -0.025583, -0.04312, -0.029266 ], [ 0.002235, 0.038981, -0.049059 ], [ 0.00201, -0.011936, 0.026067 ], [ -0.023501, -0.014402, 0.027237 ], [ -0.045331, 0.042395, -0.025236 ], [ 0.018397, -0.057565, 0.046321 ], [ -0.023901, -0.033626, 0.021022 ], [ 0.028605, 0.0113, 0.018375 ], [ -0.051602, 0.025724, 0.021269 ], [ -0.000333, 0.009003, -0.002025 ], [ 0.00056, 0.009391, 0.000146 ], [ 0.039621, 0.017745, -0.020964 ], [ -0.011804, -0.005873, -0.00916 ], [ 0.039944, -0.043497, -0.031949 ], [ -0.022573, -0.073896, -0.057083 ], [ 0.045194, 0.044104, 0.024903 ], [ 0.026934, -0.014085, -0.028164 ], [ 0.001726, -0.01131, -0.025254 ], [ -0.003763, 0.039528, 0.048354 ], [ 0.014116, -0.033582, 0.020497 ], [ 0.031819, -0.0091, 0.035906 ], [ 0.027251, -0.011578, -0.068864 ], [ -0.027251, 0.011578, 0.068864 ], [ -0.031819, 0.0091, -0.035906 ], [ -0.014116, 0.033582, -0.020497 ], [ 0.003763, -0.039528, -0.048354 ], [ -0.001726, 0.01131, 0.025254 ], [ -0.026934, 0.014085, 0.028164 ], [ -0.045194, -0.044104, -0.024903 ], [ 0.022573, 0.073896, 0.057083 ], [ -0.039944, 0.043497, 0.031949 ], [ 0.011804, 0.005873, 0.00916 ], [ -0.039621, -0.017745, 0.020964 ], [ -0.00056, -0.009391, -0.000146 ], [ 0.000333, -0.009003, 0.002025 ], [ 0.051602, -0.025724, -0.021269 ], [ -0.028605, -0.0113, -0.018375 ], [ 0.023901, 0.033626, -0.021022 ], [ -0.018397, 0.057565, -0.046321 ], [ 0.045331, -0.042395, 0.025236 ], [ 0.023501, 0.014402, -0.027237 ], [ -0.00201, 0.011936, -0.026067 ], [ -0.002235, -0.038981, 0.049059 ], [ 0.025583, 0.04312, 0.029266 ], [ 0.009708, 0.016767, 0.028803 ], [ 0.025057, 0.006652, -0.057365 ], [ 0.030321, 0.015455, 0.021172 ], [ 0.051947, -0.069453, -0.029463 ], [ -0.009943, 0.015566, 0.025524 ], [ 0.012787, 0.042034, 0.067698 ], [ 0.001509, 0.015098, -0.057782 ], [ -0.026023, -0.010892, -0.024258 ], [ -0.054421, -0.067197, 0.042949 ], [ 0.004905, 0.013708, -0.005657 ], [ -0.004905, -0.013708, 0.005657 ], [ 0.054421, 0.067197, -0.042949 ], [ 0.026023, 0.010892, 0.024258 ], [ -0.001509, -0.015098, 0.057782 ], [ -0.012787, -0.042034, -0.067698 ], [ 0.009943, -0.015566, -0.025524 ], [ -0.051947, 0.069453, 0.029463 ], [ -0.030321, -0.015455, -0.021172 ], [ 0.010295, 0.000484, 0.023759 ], [ -0.008699, 0.000648, -0.023793 ], [ 0.008699, -0.000648, 0.023793 ], [ -0.010295, -0.000484, -0.023759 ] ]
0.002487
null
pbe
true
73f3c1324d79f11e8137458adb92c1d6_14_Rb4Nd4P16O48
[ "Nd", "O", "Pb", "Tb" ]
5
A2BCD
NdO2PbTb
Tb1 Nd1 Pb1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.92675456, 0, 0 ], [ 0, 3.92675456, 0 ], [ -1.96337728, -1.96337728, 7.2202824 ] ]
agm005015114
[ [ -1.96337727761338e-8, -1.96337727761338e-8, 2.472982751209176 ], [ 1.96337728, 1.96337728, 4.805274112090561 ], [ 1.9633772603662274, 1.9633772603662274, 0.03822164792676 ], [ 1.9633772799999998, -2.089549462366449e-17, 3.562050364669152 ], [ -2.089549462366449e-17, 1.9633772799999998, 3.562050364669152 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Tb", "Nd", "Pb", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.1210256, 0, 0 ], [ 0, 0.1210256, 0 ], [ 0, 0, 0.2913063 ] ]
-35.456168
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00462183 ], [ 0, 0, -0.00332371 ], [ 0, 0, 0.00192136 ], [ 0, 0, -0.00160974 ], [ 0, 0, -0.00160974 ] ]
0
2.288827
pbe
true
2ec378238af92de9bda1bfe8555d867b_107_Tb1Nd1Pb1O2
[ "Cl", "Hg", "Tc" ]
4
A2BC
Cl2HgTc
Tc1 Hg1 Cl2
3
[ 1, 1, 1 ]
3
[ [ 6.22602595, 0.02758815, 2e-8 ], [ 3.54916658, 5.11542538, 2e-8 ], [ -4.88759802, -2.57150769, 2.87452511 ] ]
agm003948098
[ [ 0, 0, 0 ], [ 1.7745824125, 2.5577122274999997, 1.437262575 ], [ 4.887596265, 2.5715067649999996, 2e-8 ], [ 3.1130120975000004, 0.013793612499999997, 1.437262575 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Cl", "Cl", "Hg", "Tc" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.0959978, 0.02357692, -0.00000124 ], [ 0.02357692, 2.0635903, -6.5e-7 ], [ -0.00000124, -6.5e-7, 2.0511804 ] ]
-12.246017
[ -0.002, 0.089, -0.016, 3.659 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.226596
2.408904
pbe
true
6d203a4427288916364e9897cf571d85_119_Tc1Hg1Cl2
[ "I", "Pd", "Y" ]
4
A2BC
IPdY2
Y2 Pd1 I1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.6993411, 3.6993411 ], [ 3.6993411, 0, 3.6993411 ], [ 3.6993411, 3.6993411, 0 ] ]
agm002750019
[ [ 3.6993411, 3.6993411, 3.6993411 ], [ 1.84967055, 1.84967055, 1.84967055 ], [ 5.54901165, 5.54901165, 5.54901165 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "I", "Y", "Y", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.9430641, 0, 0 ], [ 0, 1.9430641, 0 ], [ 0, 0, 1.9430641 ] ]
-21.567672
[ 0.016, 0.315, 0.315, 0.079 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.338173
5.112077
pbe
true
1ce10e09d69de23062679b019ea322d3_225_Y2Pd1I1
[ "Br", "Cd", "O", "Sr" ]
11
A4B3C2D2
Br2Cd3O4Sr2
Br2 Cd3 O4 Sr2
4
[ 1, 1, 1 ]
3
[ [ -3.080326287, 3.080326287, 6.203932229 ], [ 3.080326287, -3.080326287, 6.203932229 ], [ 3.080326287, 3.080326287, -6.203932229 ] ]
oqmd-5536695
[ [ -1.8016861056734872e-16, 3.0803299999999987, 3.1019699999999997 ], [ 3.0803299999999987, -1.8016861056734872e-16, 3.1019699999999997 ], [ 0, 0, 0 ], [ 4.1875994357682564e-17, 3.0803299999999982, -2.187811152794483e-16 ], [ 3.0803299999999982, 4.1875994357682564e-17, -2.187811152794483e-16 ], [ -1.4455900000000002, 1.4455900000000002, 6.203930000000003 ], [ 1.4455900000000002, -1.4455900000000002, 6.203930000000003 ], [ 1.44559, 1.44559, 6.203930000000003 ], [ 1.6347400000000014, 1.6347400000000014, -3.0959087090484634e-17 ], [ -4.49351921607959e-17, 4.49351921607959e-17, 4.576470000000004 ], [ -4.377658758793937e-18, 4.377658758793937e-18, 7.831390000000003 ] ]
[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Br", "Br", "Cd", "Cd", "Cd", "O", "O", "O", "O", "Sr", "Sr" ]
2024-11-01 00:00:00
[ 0.18181818181818185, 0.2727272727272727, 0.3636363636363637, 0.18181818181818185 ]
[ [ 23.96084007, 0, 0 ], [ 0, 23.96084007, 0 ], [ 0, 0, 21.18299259 ] ]
-46.1109
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.013909, 0.013909, 0 ], [ 0.013909, -0.013909, 0 ], [ 0.013909, 0.013909, 0 ], [ -0.013909, -0.013909, 0 ], [ 0, 0, -0.029353 ], [ 0, 0, 0.029353 ] ]
null
null
pbe
true
2d9062039ecd090ba7bdb837525a0e61_139_Sr2Cd3Br2O4
[ "In", "Mg", "Th" ]
4
A2BC
InMg2Th
Th1 Mg2 In1
3
[ 1, 1, 1 ]
3
[ [ 4.82385542, 0, 0 ], [ 0, 4.66608592, 0 ], [ 0, 0, 4.66608592 ] ]
agm001213268
[ [ 0, 0, 2.33304296 ], [ 0, 2.33304296, 0 ], [ 2.41192771, 2.33304296, 2.33304296 ], [ 2.41192771, 0, 0 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Mg", "Mg", "Th", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.7368568, 0, 0 ], [ 0, 2.168596, 0 ], [ 0, 0, 2.168596 ] ]
-13.93761
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
2.295585
pbe
true
ccca28bd337185768effedfe391273a5_123_Th1Mg2In1
[ "Ce", "Te", "Th" ]
6
A3B2C
Ce2Te3Th
Ce2 Th1 Te3
3
[ 1, 1, 1 ]
3
[ [ 4.25756604, 0.00000102, -1.20625299 ], [ -0.66235427, 5.84213516, -2.33784232 ], [ -0.0908963, -0.31699717, 7.79601968 ] ]
agm005652011
[ [ 2.6959762181917073, 0.865414886959945, 1.3988366411268895 ], [ 0.8083392518082929, 4.659724123040054, 2.8530877288731102 ], [ -0.331177135, 2.92106758, -1.16892116 ], [ 1.133924387896195, 1.730124359922065, 4.002271387052442 ], [ 0, 0, 0 ], [ 2.3703910821038057, 3.795014650077935, 0.24965298294755836 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]
[ "Ce", "Ce", "Th", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.5, 0.16666666666666666 ]
[ [ 1.3320682, -0.02643681, -0.04512186 ], [ -0.02643681, 1.3656397, -0.09331376 ], [ -0.04512186, -0.09331376, 1.1855925 ] ]
-36.18859
[ 0.833, 0.833, 0.004, -0.013, -0.011, -0.013 ]
[ [ 0.00089845, 0.00137084, 0.00317116 ], [ -0.00089845, -0.00137084, -0.00317116 ], [ 0, 0, 0 ], [ 0.00009438, 0.000144, 0.00033312 ], [ 0, 0, 0 ], [ -0.00009438, -0.000144, -0.00033312 ] ]
1.957793
16.126245
pbe
true
602e110f6378c5bcb2c2e9b21e82619b_71_Ce2Th1Te3
[ "Nd", "O", "Rb", "Ta" ]
44
A7B2CD
NdO7RbTa2
Nd1 O7 Rb1 Ta2
4
[ 1, 1, 1 ]
3
[ [ 3.826401321, -3.848810926, 0 ], [ 3.826401321, 3.848810926, 0 ], [ 0, 0, 22.053540336 ] ]
oqmd-9800108
[ [ 3.8264, 1.8478800000000004, 0.01776 ], [ 3.8264, -2.00093, 11.00901 ], [ 3.8264, 2.00093, 11.044530000000002 ], [ 3.8264, -1.8478800000000004, 22.035779999999995 ], [ 2.28657, 3.4607964176064786e-17, 0 ], [ 5.36623, -2.218910704693079e-17, 0 ], [ 3.826400000000001, 3.64544, 1.6124500000000002 ], [ 2.24927, -1.8849300000000004, 1.86253 ], [ 5.40353, -1.88493, 1.86253 ], [ 3.8264, 0.49134, 2.22536 ], [ 1.67084, -0.06001999999999999, 4.06646 ], [ 5.98196, -0.06002000000000017, 4.06646 ], [ 2.15556, -0.060019999999999955, 6.96031 ], [ 5.49724, -0.060019999999999976, 6.96031 ], [ 3.826400000000001, -3.3574700000000006, 8.80141 ], [ 2.24927, 1.96388, 9.16424 ], [ 5.40353, 1.9638800000000003, 9.16424 ], [ 3.826400000000001, -0.2033699999999998, 9.41432 ], [ 1.53983, -3.2594875387161704e-17, 11.02677 ], [ 6.112970000000001, 3.662105296496788e-17, 11.02677 ], [ 3.826400000000001, 0.20337, 12.63922 ], [ 2.2492699999999997, -1.96388, 12.8893 ], [ 5.40353, -1.9638800000000003, 12.8893 ], [ 3.826400000000001, 3.3574700000000006, 13.25213 ], [ 2.15556, 0.06001999999999999, 15.09323 ], [ 5.497240000000001, 0.06002000000000019, 15.09323 ], [ 1.6708400000000003, 0.060019999999999955, 17.98708 ], [ 5.98196, 0.06001999999999999, 17.98708 ], [ 3.8264, -0.4913399999999998, 19.82818 ], [ 2.24927, 1.8849300000000004, 20.19101 ], [ 5.40353, 1.88493, 20.19101 ], [ 3.8264, -3.64544, 20.441089999999996 ], [ 3.8264, 1.8576700000000004, 5.489200000000001 ], [ 3.826400000000001, -1.99114, 5.53757 ], [ 3.826400000000001, 1.99114, 16.51597 ], [ 3.826400000000001, -1.8576700000000004, 16.56434 ], [ 1.90486, 0.02162000000000008, 2.29233 ], [ 5.74794, 0.021620000000000143, 2.29233 ], [ 1.9215400000000005, 0.021619999999999813, 8.734440000000001 ], [ 5.73126, 0.021620000000000195, 8.734440000000001 ], [ 1.92154, -0.02161999999999987, 13.3191 ], [ 5.73126, -0.021620000000000132, 13.3191 ], [ 1.90486, -0.021620000000000035, 19.76121 ], [ 5.74794, -0.02162000000000018, 19.76121 ] ]
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}]
[ "Nd", "Nd", "Nd", "Nd", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Rb", "Rb", "Rb", "Rb", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta", "Ta" ]
2024-11-01 00:00:00
[ 0.09090909090909093, 0.6363636363636364, 0.09090909090909093, 0.18181818181818185 ]
[ [ 36.40912828, 0, 0 ], [ 0, 37.97909861, 0 ], [ 0, 0, 35.89989955 ] ]
-384.805
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.007773, -0.001095 ], [ 0, -0.007773, 0.001095 ], [ 0, 0.007773, -0.001095 ], [ 0, 0.007773, 0.001095 ], [ -0.026501, 0, 0 ], [ 0.026501, 0, 0 ], [ 0, 0.014365, -0.001007 ], [ 0.007061, -0.016404, -0.009488 ], [ -0.007061, -0.016404, -0.009488 ], [ 0, -0.003192, -0.003603 ], [ -0.008018, -0.002077, -0.02117 ], [ 0.008018, -0.002077, -0.02117 ], [ 0.008018, -0.002077, 0.02117 ], [ -0.008018, -0.002077, 0.02117 ], [ 0, -0.003192, 0.003603 ], [ 0.007061, -0.016404, 0.009488 ], [ -0.007061, -0.016404, 0.009488 ], [ 0, 0.014365, 0.001007 ], [ 0.026501, 0, 0 ], [ -0.026501, 0, 0 ], [ 0, -0.014365, -0.001007 ], [ 0.007061, 0.016404, -0.009488 ], [ -0.007061, 0.016404, -0.009488 ], [ 0, 0.003192, -0.003603 ], [ 0.008018, 0.002077, -0.02117 ], [ -0.008018, 0.002077, -0.02117 ], [ -0.008018, 0.002077, 0.02117 ], [ 0.008018, 0.002077, 0.02117 ], [ 0, 0.003192, 0.003603 ], [ 0.007061, 0.016404, 0.009488 ], [ -0.007061, 0.016404, 0.009488 ], [ 0, -0.014365, 0.001007 ], [ 0, -0.013775, -0.019884 ], [ 0, -0.013775, 0.019884 ], [ 0, 0.013775, -0.019884 ], [ 0, 0.013775, 0.019884 ], [ 0.015703, 0.009504, 0.039795 ], [ -0.015703, 0.009504, 0.039795 ], [ -0.015703, 0.009504, -0.039795 ], [ 0.015703, 0.009504, -0.039795 ], [ -0.015703, -0.009504, 0.039795 ], [ 0.015703, -0.009504, 0.039795 ], [ 0.015703, -0.009504, -0.039795 ], [ -0.015703, -0.009504, -0.039795 ] ]
-0.000167
null
pbe
true
9865440233da92849f3941f2865ab440_64_Rb4Nd4Ta8O28
[ "Cl", "Co", "K" ]
4
A2BC
ClCo2K
K1 Co2 Cl1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.35234836, 3.35234836 ], [ 3.35234836, 0, 3.35234836 ], [ 3.35234836, 3.35234836, 0 ] ]
agm002660863
[ [ 3.35234836, 3.35234836, 3.35234836 ], [ 1.67617418, 1.67617418, 1.67617418 ], [ 5.02852254, 5.02852254, 5.02852254 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "Co", "Co", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.7711049, 0, 0 ], [ 0, 1.7711049, 0 ], [ 0, 0, 1.7711049 ] ]
-11.968944
[ -0.032, 1.638, 1.638, 0.076 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.125595
9.660556
pbe
true
2d0c419275b7dff355f6b101cab54db0_225_K1Co2Cl1
[ "Nd", "O", "S", "Sm" ]
5
A2BCD
NdO2SSm
Nd1 Sm1 S1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.89011563, 0, 0 ], [ 0, 3.89011563, 0 ], [ -1.94505782, -1.94505782, 6.17518533 ] ]
agm005014831
[ [ 1.795430114491847e-8, 1.795430114491847e-8, 1.8479576177551351 ], [ 1.945057811523764, 1.945057811523764, 4.293280186659869 ], [ -4.999727343249215e-9, -4.999727343249215e-9, 6.174848535392101 ], [ 1.9450578319366931, 1.6936693429365934e-8, 3.10474096940585 ], [ 1.6936693429365934e-8, 1.9450578319366931, 3.10474096940585 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Nd", "Sm", "S", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.3918096, 0, 0 ], [ 0, 0.3918096, 0 ], [ 0, 0, 0.16308378 ] ]
-38.389492
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.00050035 ], [ 0, 0, -0.00380781 ], [ 0, 0, 0.00408862 ], [ 0, 0, -0.00039058 ], [ 0, 0, -0.00039058 ] ]
0
0
pbe
true
f0b5eae5a4a234da527001c89f29a37a_107_Nd1Sm1S1O2
[ "Al", "I", "Tc" ]
8
A2BC
AlI2Tc
Al2 Tc2 I4
3
[ 1, 1, 1 ]
3
[ [ 9.76352369, 0, 0 ], [ 0, 9.76352369, 0 ], [ 4.88176185, 4.88176185, 2.47628576 ] ]
agm002789657
[ [ 8.763163305672474, 2.44088092375, 0.61907144 ], [ 10.763884076827527, 7.32264276875, 0.61907144 ], [ 7.32264277125, 5.882122234327525, 1.8572143200000002 ], [ 12.204404616249999, 3.8814014631724745, 1.8572143200000002 ], [ 0, 0, 0 ], [ 9.7635236925, 4.8817618475, 1.23814288 ], [ 4.881761845, 4.881761845, 0 ], [ 4.8817618475, 9.7635236925, 1.23814288 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "I", "I", "I", "Tc", "Tc", "Al", "Al" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 1.1398724, 0, 0 ], [ 0, 1.1398724, 0 ], [ 0, 0, 0.2740267 ] ]
-31.919869
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00613667, 0, 0 ], [ -0.00613667, 0, 0 ], [ 0, -0.00613667, 0 ], [ 0, 0.00613667, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.283835
pbe
true
2d34d7a3d9ea6d09996a20236fc9fba3_122_Al2Tc2I4
[ "Nd", "O", "Si", "Te" ]
32
A4B2CD
Nd2O4SiTe
Nd8 Si4 Te4 O16
4
[ 1, 1, 1 ]
3
[ [ 6.47409143, 0, 0 ], [ 0, 8.79437515, 0.000025 ], [ 0, 0.92054239, 9.93351382 ] ]
agm003241201
[ [ 1.9683006021569531, 7.9608246141755, 6.493697774429954 ], [ 1.2687451128430467, 3.563637039175499, 6.493685274429954 ], [ 4.505790827843046, 1.7540929258245015, 3.4398410455700468 ], [ 5.205346317156954, 6.151280500824501, 3.4398535455700467 ], [ 0.9883316253989992, 2.778111363031038, 1.0504809785526927 ], [ 4.225377340398999, 2.539618601968962, 8.883045341447307 ], [ 5.485759804601001, 6.936806176968962, 8.883057841447307 ], [ 2.2487140896010005, 7.175298938031039, 1.0504934785526927 ], [ 5.239553474045644, 8.406803854413734, 1.2461558595256594 ], [ 1.2345379559543557, 1.3081136855862652, 8.68738296047434 ], [ 2.002507759045644, 5.705301260586266, 8.68739546047434 ], [ 4.471583670954355, 4.009616279413735, 1.2461433595256595 ], [ 4.619283463356546, 3.8911229026939944, 5.869867562596357 ], [ 1.382237748356547, 1.4266070623060059, 4.063658757403643 ], [ 1.8548079666434527, 5.823794637306006, 4.063671257403643 ], [ 5.091853681643453, 8.288310477693996, 5.869880062596358 ], [ 5.579750146054426, 3.817307968677007, 2.4634317316659287 ], [ 2.3427044310544263, 1.5004219963229937, 7.470094588334071 ], [ 0.8943412839455737, 5.8976095713229935, 7.47010708833407 ], [ 4.131386998945573, 8.214495543677007, 2.463444231665929 ], [ 3.297795028228833, 2.9243380701913133, 1.5581880192486643 ], [ 0.06074931322883349, 2.393391894808687, 8.375338300751336 ], [ 3.1762964017711663, 6.790579469808687, 8.375350800751336 ], [ 6.413342116771166, 7.321525645191313, 1.5582005192486643 ], [ 5.610613952646837, 1.2066023834104038, 1.2472121839392476 ], [ 1.2578212488913791, 5.098151812089283, 0.191658744238364 ], [ 0.8634774773531633, 8.508315156589596, 8.686326636060754 ], [ 4.100523192353163, 5.603789958410404, 1.2472246839392476 ], [ 1.9792244661086207, 0.7009642370892826, 0.191646244238364 ], [ 5.21627018110862, 4.616765727910718, 9.741880075761635 ], [ 4.494866963891379, 9.013953302910718, 9.741892575761636 ], [ 2.3735682376468366, 4.111127581589597, 8.686314136060753 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Si", "Si", "Si", "Si", "Te", "Te", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.125, 0.125 ]
[ [ 0.37876984, 0, 0 ], [ 0, 0.36101183, 0.03059847 ], [ 0, 0.03059841, 0.41895667 ] ]
-243.389921
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00003086, 0.00275322, -0.00074731 ], [ 0.00003086, 0.00275322, -0.00074731 ], [ 0.00003086, -0.00275322, 0.00074731 ], [ -0.00003086, -0.00275322, 0.00074731 ], [ -0.00205299, -0.00036504, -0.00048227 ], [ -0.00205299, 0.00036504, 0.00048227 ], [ 0.00205299, 0.00036504, 0.00048227 ], [ 0.00205299, -0.00036504, -0.00048227 ], [ 0.00013092, 0.00211945, 0.00044862 ], [ -0.00013092, -0.00211945, -0.00044862 ], [ 0.00013092, -0.00211945, -0.00044862 ], [ -0.00013092, 0.00211945, 0.00044862 ], [ 0.00066051, -0.00378864, -0.0002686 ], [ 0.00066051, 0.00378864, 0.0002686 ], [ -0.00066051, 0.00378864, 0.0002686 ], [ -0.00066051, -0.00378864, -0.0002686 ], [ -0.00343833, -0.00112807, 0.00192116 ], [ -0.00343833, 0.00112807, -0.00192116 ], [ 0.00343833, 0.00112807, -0.00192116 ], [ 0.00343833, -0.00112807, 0.00192116 ], [ 0.00075077, -0.00199234, -0.00049525 ], [ 0.00075077, 0.00199234, 0.00049525 ], [ -0.00075077, 0.00199234, 0.00049525 ], [ -0.00075077, -0.00199234, -0.00049525 ], [ 0.00007622, -0.00088764, 0.00138432 ], [ 0.00122552, -0.00074772, -0.00121183 ], [ -0.00007622, 0.00088764, -0.00138432 ], [ -0.00007622, -0.00088764, 0.00138432 ], [ -0.00122552, -0.00074772, -0.00121183 ], [ -0.00122552, 0.00074772, 0.00121183 ], [ 0.00122552, 0.00074772, 0.00121183 ], [ 0.00007622, 0.00088764, -0.00138432 ] ]
0
0
pbe
true
ebc0464c10c7f7393967d903dadb13f5_14_Nd8Si4Te4O16
[ "Nd", "O", "Ta", "Ti" ]
36
A6BCD
NdO6TaTi
Nd4 Ta4 Ti4 O24
4
[ 1, 1, 1 ]
3
[ [ 5.39022494, 0, 0 ], [ 0, 7.54676006, 0 ], [ 0, 0, 11.11079028 ] ]
agm003244625
[ [ 2.460195632762671, 5.653007937871053, 10.619555131392916 ], [ 0.2349168372373294, 5.653007937871053, 5.064159991392916 ], [ 2.930029307237329, 1.8796279078710534, 0.49123514860708317 ], [ 5.155308102762671, 1.8796279078710534, 6.0466302886070835 ], [ 2.494659167863798, 3.8195877853009716, 7.160339796205873 ], [ 2.895565772136202, 0.046207755300971605, 3.9504504837941266 ], [ 5.189771637863799, 0.046207755300971605, 9.505845623794126 ], [ 0.20045330213620202, 3.8195877853009716, 1.6049446562058731 ], [ 0.1880600430519046, 7.487354681641302, 1.578883853172522 ], [ 5.202164896948096, 3.7139746516413017, 9.531906426827478 ], [ 2.8831725130519046, 3.7139746516413017, 3.9765112868274777 ], [ 2.5070524269480954, 7.487354681641302, 7.134278993172522 ], [ 0.8637108864028088, 5.676806041979459, 1.347344539016963 ], [ 1.8314015835971913, 5.676806041979459, 6.902739679016963 ], [ 4.526514053597191, 1.9034260119794586, 9.763445740983036 ], [ 3.558823356402809, 1.9034260119794586, 4.208050600983038 ], [ 3.3862843582611357, 4.223204436973498, 8.795464358725601 ], [ 4.714342640390173, 7.100897098317197, 3.185170359520511 ], [ 2.0039405817388647, 0.44982440697349824, 2.3153259212743977 ], [ 0.6758822996098278, 3.327517068317197, 7.925619920479488 ], [ 2.0192301703901725, 3.327517068317197, 2.3702247804794894 ], [ 0.6911718882611354, 0.44982440697349824, 7.8707210612743985 ], [ 3.370994769609828, 7.100897098317197, 8.74056549952051 ], [ 4.699053051738865, 4.223204436973498, 3.2400692187256017 ], [ 0.25842716574912983, 5.6513406321709985, 9.513107747429038 ], [ 2.4366853042508705, 5.6513406321709985, 3.9577126074290376 ], [ 5.13179777425087, 1.8779606021709974, 1.5976825325709625 ], [ 2.95353963574913, 1.8779606021709974, 7.153077672570963 ], [ 1.274756503787353, 0.29401777215476826, 10.788901908064078 ], [ 1.457213084600631, 3.4876464118306942, 5.279559104940331 ], [ 4.115468436212647, 4.067397802154768, 0.3218883719359212 ], [ 3.933011855399369, 7.261026441830695, 5.831231175059669 ], [ 4.1523255546006315, 7.261026441830695, 0.2758360350596688 ], [ 3.9698689737873534, 4.067397802154768, 5.8772835119359215 ], [ 1.2378993853993692, 3.4876464118306942, 10.83495424494033 ], [ 1.4203559662126475, 0.29401777215476826, 5.233506768064078 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Nd", "Nd", "Nd", "Nd", "Ta", "Ta", "Ta", "Ta", "Ti", "Ti", "Ti", "Ti", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]
[ [ 0.7025897, 0, 0 ], [ 0, 0.557452, 0 ], [ 0, 0, 0.8641018 ] ]
-330.905175
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0.00303934, -0.00016064, -0.00068803 ], [ -0.00303934, -0.00016064, -0.00068803 ], [ -0.00303934, -0.00016064, 0.00068803 ], [ 0.00303934, -0.00016064, 0.00068803 ], [ -0.00119914, 0.00068419, 0.00080411 ], [ 0.00119914, 0.00068419, -0.00080411 ], [ -0.00119914, 0.00068419, -0.00080411 ], [ 0.00119914, 0.00068419, 0.00080411 ], [ 0.00122601, 0.00163435, -0.0023955 ], [ -0.00122601, 0.00163435, 0.0023955 ], [ 0.00122601, 0.00163435, 0.0023955 ], [ -0.00122601, 0.00163435, -0.0023955 ], [ -0.00123665, -0.00215059, -0.00160978 ], [ 0.00123665, -0.00215059, -0.00160978 ], [ 0.00123665, -0.00215059, 0.00160978 ], [ -0.00123665, -0.00215059, 0.00160978 ], [ 0.00133105, 0.00139912, 0.00465349 ], [ -0.00235748, -0.00114002, -0.00046289 ], [ -0.00133105, 0.00139912, -0.00465349 ], [ 0.00235748, -0.00114002, 0.00046289 ], [ -0.00235748, -0.00114002, 0.00046289 ], [ 0.00133105, 0.00139912, -0.00465349 ], [ 0.00235748, -0.00114002, -0.00046289 ], [ -0.00133105, 0.00139912, 0.00465349 ], [ -0.00109205, 0.00166063, 0.00170997 ], [ 0.00109205, 0.00166063, 0.00170997 ], [ 0.00109205, 0.00166063, -0.00170997 ], [ -0.00109205, 0.00166063, -0.00170997 ], [ -0.00047686, -0.00143341, 0.00175854 ], [ -0.00091559, -0.00049363, -0.00066418 ], [ 0.00047686, -0.00143341, -0.00175854 ], [ 0.00091559, -0.00049363, 0.00066418 ], [ -0.00091559, -0.00049363, 0.00066418 ], [ -0.00047686, -0.00143341, -0.00175854 ], [ 0.00091559, -0.00049363, -0.00066418 ], [ 0.00047686, -0.00143341, 0.00175854 ] ]
-0.000116
0
pbe
true
52d29057a368a83150f6c3e16406d4a2_33_Nd4Ta4Ti4O24
[ "Cl", "Mo", "Rh" ]
4
A2BC
ClMoRh2
Mo1 Rh2 Cl1
3
[ 1, 1, 1 ]
3
[ [ 2.84695428, -0.01448619, 0 ], [ -1.42283868, 2.46594578, 0 ], [ 0, 0, 8.89521165 ] ]
agm003884757
[ [ 0, 0, 4.523950935932689 ], [ 0.7120578, 1.2257297950000001, 6.6342134099855254 ], [ 0, 0, 8.84165713874001 ], [ 0.7120578, 1.2257297950000001, 2.2382077292938933 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Cl", "Mo", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 8.840872, 0.08921212, 0 ], [ 0.08921212, 8.942615, 0 ], [ 0, 0, 9.018048 ] ]
-25.746157
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00167903 ], [ 0, 0, -0.00841636 ], [ 0, 0, 0.0153729 ], [ 0, 0, -0.00527751 ] ]
-0.000011
6.248291
pbe
true
f5899dd0f9baeb3e72140be245d0a44d_35_Mo1Rh2Cl1
[ "Cl", "Mo", "S" ]
56
A7B4C3
Cl4Mo3S7
Mo12 S28 Cl16
3
[ 1, 1, 1 ]
3
[ [ 12.25481402, 0, 0 ], [ 0, 10.0377052, -0.36339084 ], [ 0, 7.61434706, 12.21405699 ] ]
agm005226343
[ [ 9.190568239479616, 3.591941868369784, 3.3198039689792402 ], [ 4.541841427265219, 7.923019166254459, 2.508478602514466 ], [ 1.814517738789254, 7.790838095492378, 2.526121936228597 ], [ 7.941924748789254, 6.054040634507621, 3.2175157187714025 ], [ 10.669248437265217, 5.9218595637455405, 3.235159052485534 ], [ 1.5855655827347817, 11.73019269625446, 8.615507097514465 ], [ 4.312889271210746, 11.59801162549238, 8.633150431228598 ], [ 3.063161229479615, 10.252936861630216, 2.42383368602076 ], [ 7.712972592734781, 9.72903309374554, 9.342187547485533 ], [ 10.440296281210745, 9.86121416450762, 9.324544213771402 ], [ 3.0642457805203853, 14.060110391630216, 8.530862181020758 ], [ 9.191652790520385, 7.399115398369784, 9.42683246397924 ], [ 2.978044193222303, 12.514644658850028, 10.350081534860227 ], [ 0.5735355901797768, 9.974188819675943, 2.53457858195828 ], [ 7.556399574148953, 8.061576672730517, 11.072035878383465 ], [ 3.2261953536612085, 6.665833670266181, 0.9320982996441753 ], [ 0.5574631564962663, 14.021228452493023, 8.605867457529985 ], [ 5.553871419820223, 13.781362349675943, 8.641607076958278 ], [ 10.825821455851047, 4.254403142730517, 4.9650073833834645 ], [ 8.97579355521674, 11.872709762508434, 9.082639603168925 ], [ 6.684870166496267, 7.437997337506977, 9.351827187470015 ], [ 7.603231468474522, 4.4100521950533675, 4.942789515252891 ], [ 3.149362816777697, 8.70747112885003, 4.243053039860227 ], [ 3.2790204647832595, 5.779342497491567, 2.7680265468310754 ], [ 1.4758244584745228, 9.434826534946632, 0.800848139747108 ], [ 9.105451203222303, 8.944581131149972, 7.6076131101397735 ], [ 4.698414445851047, 9.590475587269482, 0.7786302716165345 ], [ 2.9012116563387913, 10.473007200266181, 7.039126794644174 ], [ 10.778989561525476, 8.217225725053368, 11.049818010252892 ], [ 1.4289925641489525, 13.397649117269482, 6.885658766616535 ], [ 9.028618666338792, 10.98621858973382, 10.918567850355824 ], [ 6.700942600179776, 3.8706899103240557, 3.20905907304172 ], [ 9.353602363661208, 7.179045059733819, 4.8115393553558246 ], [ 11.697350863503733, 3.6308238075069763, 3.2447986924700145 ], [ 9.40642747478326, 8.065536232508434, 2.9756111081689247 ], [ 5.569943853503734, 10.214054922493023, 2.4988389625299856 ], [ 4.651582551525477, 13.242000064946632, 6.907876634747108 ], [ 11.681278429820223, 7.677863440324056, 9.31608756804172 ], [ 9.276769826777697, 5.137407601149971, 1.5005846151397735 ], [ 2.84838654521674, 9.586516027491566, 8.875055041831075 ], [ 11.840267852634515, 10.657410779867497, 7.4143196046274085 ], [ 9.251049913305081, 5.743304353335767, 7.558689429134682 ], [ 6.5419531773654835, 6.850237249867497, 1.3072911096274091 ], [ 9.311700090823322, 15.363178669203885, 10.359721150939382 ], [ 9.070520939176676, 11.556005139203885, 4.2526926559393825 ], [ 0.0904933457160262, 11.099396323786012, 10.511934970651048 ], [ 3.1842930808233234, 6.096047120796115, 7.597973494060617 ], [ 6.036913664283974, 7.292222793786013, 4.404906475651049 ], [ 12.164320674283974, 6.552655936213987, 1.3387311793489507 ], [ 0.4145461673654842, 6.994641480132501, 4.436346545372591 ], [ 9.131171116694919, 1.936130823335767, 1.4516609341346818 ], [ 3.1236429033050817, 15.715921436664232, 10.399005215865317 ], [ 2.9431139291766764, 2.2888735907961153, 1.4909449990606176 ], [ 6.217900355716026, 10.359829466213988, 7.445759674348952 ], [ 5.712860842634516, 10.8018150101325, 10.54337504037259 ], [ 3.003764106694918, 11.908747906664232, 4.291976720865319 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.21428571428571427, 0.5 ]
[ [ 0.4379191, 0, 0 ], [ 0, 0.4526116, -0.01518566 ], [ 0, -0.01518568, 0.46315357 ] ]
-315.464899
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00040295, -0.00549493, 0.00270489 ], [ 0.00302602, 0.00203848, -0.00008602 ], [ -0.00276991, 0.00060079, 0.0006153 ], [ -0.00276991, -0.00060079, -0.0006153 ], [ 0.00302602, -0.00203848, 0.00008602 ], [ -0.00302602, 0.00203848, -0.00008602 ], [ 0.00276991, 0.00060079, 0.0006153 ], [ -0.00040295, 0.00549493, -0.00270489 ], [ -0.00302602, -0.00203848, 0.00008602 ], [ 0.00276991, -0.00060079, -0.0006153 ], [ 0.00040295, 0.00549493, -0.00270489 ], [ 0.00040295, -0.00549493, 0.00270489 ], [ -0.00286394, 0.00158564, 0.00060827 ], [ 0.00333755, -0.00144943, -0.00018004 ], [ -0.00126434, 0.00078683, -0.00534303 ], [ 0.00125027, 0.00153759, 0.00315292 ], [ 0.00154094, -0.00212371, -0.00176486 ], [ -0.00333755, -0.00144943, -0.00018004 ], [ 0.00126434, 0.00078683, -0.00534303 ], [ 0.00079487, -0.0021915, 0.00163646 ], [ 0.00154094, 0.00212371, 0.00176486 ], [ -0.00219649, -0.00236986, -0.00168166 ], [ 0.00286394, 0.00158564, 0.00060827 ], [ -0.00079487, 0.0021915, -0.00163646 ], [ -0.00219649, 0.00236986, 0.00168166 ], [ -0.00286394, -0.00158564, -0.00060827 ], [ 0.00126434, -0.00078683, 0.00534303 ], [ -0.00125027, 0.00153759, 0.00315292 ], [ 0.00219649, -0.00236986, -0.00168166 ], [ -0.00126434, -0.00078683, 0.00534303 ], [ -0.00125027, -0.00153759, -0.00315292 ], [ 0.00333755, 0.00144943, 0.00018004 ], [ 0.00125027, -0.00153759, -0.00315292 ], [ -0.00154094, 0.00212371, 0.00176486 ], [ -0.00079487, -0.0021915, 0.00163646 ], [ -0.00154094, -0.00212371, -0.00176486 ], [ 0.00219649, 0.00236986, 0.00168166 ], [ -0.00333755, 0.00144943, 0.00018004 ], [ 0.00286394, -0.00158564, -0.00060827 ], [ 0.00079487, 0.0021915, -0.00163646 ], [ 0.00008085, 0.00035391, 0.00476358 ], [ 0.00008744, 0.00216744, 0.00036375 ], [ -0.00008085, 0.00035391, 0.00476358 ], [ -0.00075022, 0.00335374, -0.00255057 ], [ 0.00075022, 0.00335374, -0.00255057 ], [ 0.00178006, -0.00234257, -0.00316632 ], [ -0.00075022, -0.00335374, 0.00255057 ], [ -0.00178006, -0.00234257, -0.00316632 ], [ -0.00178006, 0.00234257, 0.00316632 ], [ -0.00008085, -0.00035391, -0.00476358 ], [ -0.00008744, 0.00216744, 0.00036375 ], [ 0.00008744, -0.00216744, -0.00036375 ], [ 0.00075022, -0.00335374, 0.00255057 ], [ 0.00178006, 0.00234257, 0.00316632 ], [ 0.00008085, -0.00035391, -0.00476358 ], [ -0.00008744, -0.00216744, -0.00036375 ] ]
0.000005
0
pbe
true
92e376ff2c97d3bb9a9344529310a53e_14_Mo12S28Cl16
[ "Al", "I", "Te" ]
5
A3BC
AlITe3
Al1 Te3 I1
3
[ 1, 1, 1 ]
3
[ [ 5.89816017, 0, 0 ], [ 0, 5.89816017, 0 ], [ 0, 0, 5.89816017 ] ]
agm002393382
[ [ 0, 0, 0 ], [ 0, 2.949080085, 0 ], [ 0, 0, 2.949080085 ], [ 2.949080085, 0, 0 ], [ 2.949080085, 2.949080085, 2.949080085 ] ]
[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Te", "Te", "Te", "Al" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ -0.07751457, 0, 0 ], [ 0, -0.07751457, 0 ], [ 0, 0, -0.07751457 ] ]
-10.574172
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
6.526756
pbe
true
f91cb29eba6eb249f6f292d674c054ad_221_Al1Te3I1
[ "Al", "In", "Ir" ]
4
A2BC
Al2InIr
Al2 In1 Ir1
3
[ 1, 1, 1 ]
3
[ [ 5.48629004, 0.05744105, 0.29016643 ], [ -2.27886241, 4.99093818, 0.29016643 ], [ 0.82647097, 1.30083648, 2.67533157 ] ]
agm004031063
[ [ -0.72619572, 3.14588733, 1.482749 ], [ 0, 0, 0 ], [ 1.603713815, 2.524189615, 0.29016643 ], [ 3.156380505, 0.679138765, 1.482749 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Al", "Al", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.04105, -0.2022038, -0.03295309 ], [ -0.2022038, 3.851256, -0.05186701 ], [ -0.03295295, -0.05186679, 3.8576205 ] ]
-19.087141
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
1.313218
pbe
true
9e742916d2e1b356e1b3b0a7bd66a57a_12_Al2In1Ir1
[ "Nd", "O", "Tl", "V" ]
20
A6B2CD
NdO6TlV2
Nd2 Tl2 V4 O12
4
[ 1, 1, 1 ]
3
[ [ 7.56727529, 0.6153369, 0.65933191 ], [ -0.31574165, 7.58568401, 0.65933191 ], [ -1.39005308, -1.57206116, 5.67483092 ] ]
agm004945509
[ [ 4.130441341696334, 2.9539708790268397, 2.07803964 ], [ 1.7310392183036662, 3.6749888709731597, 4.9154551 ], [ 0.6278917329453267, 6.051006789111947, 2.07803964 ], [ 5.233588827054674, 0.5779529608880528, 4.9154551 ], [ 1.1354288849439051, -0.07838955702522411, 4.792193651129612 ], [ 5.383262646721001, 4.725638836545746, 5.038716548870388 ], [ 4.7260516750560955, 6.707349307025224, 2.201301088870388 ], [ 0.47821791327899904, 1.9033209134542535, 1.9547781911296123 ], [ 6.4611007744518485, 3.1159578926050058, 2.1479583467237777 ], [ 4.255011860322051, 0.6210123800067566, 2.008120933276222 ], [ -0.5996202144518474, 3.513001857394994, 4.845536393276222 ], [ 1.6064686996779498, 6.007947369993243, 4.985373806723778 ], [ 1.193223875216709, 1.1425250016771884, 0.3921953953577527 ], [ 5.568661435875347, 6.090865132479204, 3.7638838846422473 ], [ 4.668256684783292, 5.486434748322812, 6.601299344642247 ], [ 0.29281912412465405, 0.538094617520796, 3.2296108553577523 ], [ 1.7668718689820975, 2.984770108400054, 2.6420157387961773 ], [ 3.81050571976353, 5.295989331451385, 1.5140635412038228 ], [ 4.0946086910179025, 3.644189641599945, 4.351479001203823 ], [ 2.0509748402364703, 1.332970418548614, 5.479431198796177 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Nd", "Nd", "Tl", "Tl", "V", "V", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 0.80663455, 0.08761896, 0.09859446 ], [ 0.08761896, 0.8282513, 0.11150403 ], [ 0.09859451, 0.11150409, 0.59138376 ] ]
-146.397251
[ 0.009, 0.009, -0.004, -0.004, 1.021, 1.021, 1.021, 1.021, -0.033, -0.033, -0.033, -0.033, -0.018, -0.018, -0.018, -0.018, -0.019, -0.019, -0.019, -0.019 ]
[ [ -0.00035478, 0.0003137, 0 ], [ 0.00035478, -0.0003137, 0 ], [ 0.00235062, -0.00207848, 0 ], [ -0.00235062, 0.00207848, 0 ], [ 0.00443142, -0.00672192, 0.00336348 ], [ 0.00721389, -0.00357513, -0.00336348 ], [ -0.00443142, 0.00672192, -0.00336348 ], [ -0.00721389, 0.00357513, 0.00336348 ], [ 0.00358824, -0.00020954, 0.0037816 ], [ 0.00064727, -0.00353559, -0.0037816 ], [ -0.00358824, 0.00020954, -0.0037816 ], [ -0.00064727, 0.00353559, 0.0037816 ], [ 0.00062168, 0.00147348, 0.00115481 ], [ -0.00138629, -0.0007974, -0.00115481 ], [ -0.00062168, -0.00147348, -0.00115481 ], [ 0.00138629, 0.0007974, 0.00115481 ], [ 0.00084692, -0.000376, -0.00095934 ], [ 0.00047686, -0.00079451, 0.00095934 ], [ -0.00084692, 0.000376, 0.00095934 ], [ -0.00047686, 0.00079451, -0.00095934 ] ]
4.000001
-0.000585
pbe
true
84b74839d9e664e1e8e1ca3e9e3b7898_15_Nd2Tl2V4O12
[ "Os", "P", "S" ]
4
A2BC
OsP2S
P2 Os1 S1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.02856252, 3.02856252 ], [ 3.02856252, 0, 3.02856252 ], [ 3.02856252, 3.02856252, 0 ] ]
agm002722483
[ [ 1.51428126, 1.51428126, 1.51428126 ], [ 4.54284378, 4.54284378, 4.54284378 ], [ 0, 0, 0 ], [ 3.02856252, 3.02856252, 3.02856252 ] ]
[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "P", "S", "Os" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 5.2654247, 0, 0 ], [ 0, 5.2654247, 0 ], [ 0, 0, 5.2654247 ] ]
-23.016549
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000001
5.049679
pbe
true
80d89b8e2c92fee5d9a614adcf83ce5f_225_P2Os1S1
[ "Nd", "O", "W", "Yb" ]
10
A6B2CD
Nd2O6WYb
Yb1 Nd2 W1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.85427211, 0, 0 ], [ 2.92713605, 5.06994836, 0 ], [ 2.92713605, 1.68998279, 4.77999316 ] ]
agm002299348
[ [ 5.854272105, 3.379965575, 2.38999658 ], [ 2.9271360525, 1.6899827875, 1.19499829 ], [ 8.7814081575, 5.0699483625, 3.58499487 ], [ 5.854272102404787, 5.13431237095161, 3.630507096873624 ], [ 7.373580998968154, 2.5027921783218017, 3.630507096873624 ], [ 4.334963211031846, 4.257138971678198, 1.149486063126376 ], [ 7.373580998968154, 4.257138971678198, 1.149486063126376 ], [ 5.8542721075952135, 1.6256187790483898, 1.149486063126376 ], [ 4.334963211031846, 2.5027921783218017, 3.630507096873624 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Yb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Yb"]}]
[ "Yb", "Nd", "Nd", "O", "O", "O", "O", "O", "O", "W" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.1, 0.1 ]
[ [ 0.44862974, 0, 0 ], [ 0, 0.44862974, 0 ], [ 0, 0, 0.44862974 ] ]
-73.301862
[ 0.043, 0.155, 0.155, -0.029, -0.022, -0.022, -0.042, -0.029, -0.042, 1.422 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00768115, -0.0054314 ], [ -0.00665208, 0.00384058, -0.0054314 ], [ 0.00665208, -0.00384058, 0.0054314 ], [ -0.00665208, -0.00384058, 0.0054314 ], [ 0, 0.00768115, 0.0054314 ], [ 0.00665208, 0.00384058, -0.0054314 ], [ 0, 0, 0 ] ]
1.971852
6.100303
pbe
true
8fc5e2bea0324b3c4f136ab9a84e951a_225_Yb1Nd2W1O6
[ "Si", "Ta", "Ti" ]
3
ABC
SiTaTi
Ta1 Ti1 Si1
3
[ 1, 1, 1 ]
3
[ [ 2.80297584, 0, 0 ], [ 0, 2.80297584, 0 ], [ -1.40148792, -1.40148792, 6.10669929 ] ]
agm001846030
[ [ 1.4014879199999999, 1.4014879199999999, 5.523317024643379 ], [ 1.4014879340148794, 1.4014879340148794, 1.2576832070875132 ], [ -1.4014879250323671e-8, -1.4014879250323671e-8, 3.6003763478705277 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Si", "Ti", "Ta" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 4.529037, 0, 0 ], [ 0, 4.529037, 0 ], [ 0, 0, 5.1220984 ] ]
-25.81223
[ -0.006, 0.231, 0.028 ]
[ [ 0, 0, 0.00033994 ], [ 0, 0, -0.00568567 ], [ 0, 0, 0.00534573 ] ]
0.319972
3.367916
pbe
true
7272380490defbec491980839d66bdb4_107_Ta1Ti1Si1
[ "Al", "In", "La" ]
4
A2BC
AlIn2La
La1 Al1 In2
3
[ 1, 1, 1 ]
3
[ [ 4.75477727, 0, 0 ], [ 0, 4.64509989, 0 ], [ 0, 0, 4.64509989 ] ]
agm003168857
[ [ 0, 0, 0 ], [ 0, 2.322549945, 2.322549945 ], [ 2.377388635, 0, 2.322549945 ], [ 2.377388635, 2.322549945, 0 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "In", "In", "Al", "La" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 3.3806608, 0, 0 ], [ 0, 3.2010238, 0 ], [ 0, 0, 3.2010238 ] ]
-15.738962
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.029663
pbe
true
d56db5dc8e5669a81c3cf0d8f567828e_123_La1Al1In2
[ "Ga", "Ge", "H", "K" ]
10
A2BCD
GaGeHK2
K4 Ga2 Ge2 H2
4
[ 1, 1, 1 ]
3
[ [ 4.23771765, 0, 0 ], [ 0, 6.97318214, -0.24201194 ], [ 0, -3.28306319, 9.72711615 ] ]
agm005000613
[ [ 3.1782882374999994, 3.6591360862653795, 5.5197283182639385 ], [ 3.1782882374999994, 5.266744995483974, 0.2580219978303856 ], [ 1.0594294125, 0.03098286373462081, 3.9653758917360618 ], [ 1.0594294125, -1.5766260454839747, 9.227082212169615 ], [ 1.0594294125, 1.2713630753926715, 7.288598654282242 ], [ 3.1782882374999994, 2.4187558746073288, 2.196505555717759 ], [ 1.0594294125, 3.587227951710865, 2.640586189061456 ], [ 3.1782882374999994, 0.10289099828913432, 6.844518020938544 ], [ 1.0594294125, 2.843015106626875, 8.009436543001224 ], [ 3.1782882374999994, 0.8471038433731239, 1.475667666998776 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "K", "K", "K", "K", "Ga", "Ga", "Ge", "Ge", "H", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 2.0859513, 0, 0 ], [ 0, 2.085758, -0.05227272 ], [ 0, -0.05227246, 2.231654 ] ]
-27.896849
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00082699, -0.00157703 ], [ 0, 0.0020224, 0.00115893 ], [ 0, 0.00082699, 0.00157703 ], [ 0, -0.0020224, -0.00115893 ], [ 0, 0.00013857, -0.00128012 ], [ 0, -0.00013857, 0.00128012 ], [ 0, 0.00270353, 0.00308886 ], [ 0, -0.00270353, -0.00308886 ], [ 0, -0.00088363, 0.00053269 ], [ 0, 0.00088363, -0.00053269 ] ]
-0.000002
-0.078465
pbe
true
d0c54f63c14975674bb62245d928ff6d_11_K4Ga2Ge2H2
[ "Ga", "Ge", "La", "Pd" ]
5
A2BCD
GaGe2LaPd
La1 Ga1 Ge2 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.42052065, 0, 0 ], [ 0, 4.42052065, 0 ], [ -2.21026033, -2.21026033, 5.20241747 ] ]
agm005016547
[ [ 0, 0, 0 ], [ -2.4999999848063226e-9, 2.2102603225, 2.601208735 ], [ 2.210260345893823, 2.210260345893823, 1.25771652228829 ], [ -2.589382220923126e-8, -2.589382220923126e-8, 3.94470094771171 ], [ 2.2102603225, -2.4999999848063226e-9, 2.601208735 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "La", "Ga", "Ge", "Ge", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 3.5909915, 0, 0 ], [ 0, 3.5909915, 0 ], [ 0, 0, 3.7659376 ] ]
-25.670168
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00506026 ], [ 0, 0, -0.00506026 ], [ 0, 0, 0 ] ]
-0
1.996114
pbe
true
b05e10ac7f47fc624e05d118ef6762f1_119_La1Ga1Ge2Pd1
[ "Cl", "Ir", "Sm" ]
4
A2BC
ClIrSm2
Sm2 Ir1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 4.08632361, 0, 0 ], [ 2.04316181, 3.53886006, 0 ], [ 2.0431618, 1.17962002, 7.60911819 ] ]
agm005120441
[ [ 2.0431617809182745, 1.1796200082037998, 6.068394263327859 ], [ 2.043161825809944, 1.1796200317962002, 1.4704707646122366 ], [ 6.129483390625196, 3.5388588921761803, 7.583950498948302 ], [ 4.086323630348022, 2.3592400517962, 3.899972262902231 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Ir", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.31148556, 0, 0 ], [ 0, 0.31148556, 0 ], [ 0, 0, 0.53113395 ] ]
-24.821331
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00432893 ], [ 0, 0, 0.00211087 ], [ 0, 0, -0.00042137 ], [ 0, 0, 0.00263944 ] ]
-0
1.19501
pbe
true
0c47ad5155199379d472dbde2e28841a_160_Sm2Ir1Cl1
[ "Nd", "Pb", "Rb", "Te" ]
12
A3BCD
NdPbRbTe3
Nd1 Pb1 Rb1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.312085458, -8.512540404, 0 ], [ 2.312085458, 8.512540404, 0 ], [ 0, 0, 12.944200656 ] ]
oqmd-8994947
[ [ 0, 0, 0 ], [ 0, 0, 6.4721 ], [ 2.31209, -1.3879300000000008, 3.23605 ], [ 2.31209, 1.3879300000000006, 9.70815 ], [ 2.31209, 3.65285, 3.23605 ], [ 2.31209, -3.65285, 9.70815 ], [ 2.31209, -2.208569999999999, 0.21152 ], [ 2.31209, -7.891779999999999, 3.23605 ], [ 2.31209, -2.208569999999999, 6.26058 ], [ 2.31209, 2.208569999999999, 6.683620000000001 ], [ 2.31209, 7.89178, 9.70815 ], [ 2.31209, 2.208569999999999, 12.732679999999998 ] ]
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Nd", "Nd", "Pb", "Pb", "Rb", "Rb", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 2.45197433, 0, 0 ], [ 0, 1.82744438, 0 ], [ 0, 0, 3.29912304 ] ]
-48.8151
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.024314, 0 ], [ 0, -0.024314, 0 ], [ 0, -0.021578, 0 ], [ 0, 0.021578, 0 ], [ 0, 0.001982, -0.020702 ], [ 0, 0.021792, 0 ], [ 0, 0.001982, 0.020702 ], [ 0, -0.001982, -0.020702 ], [ 0, -0.021792, 0 ], [ 0, -0.001982, 0.020702 ] ]
-0.00501
null
pbe
true
56ab113ae54407881f1c12a4179977ff_63_Rb2Nd2Te6Pb2
[ "Cl", "Ir", "Tb" ]
4
A2BC
ClIrTb2
Tb2 Ir1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 4.03085941, 0, 0 ], [ 2.01542971, 3.49082665, 0 ], [ 2.01542971, 1.16360888, 7.50927315 ] ]
agm005120449
[ [ 2.0154296891722487, 1.1636088690373652, 5.992128062919238 ], [ 2.0154297274516644, 1.1636088943387215, 1.4208308492879356 ], [ 6.046287107889945, 3.4908254830714642, 7.478452690024992 ], [ 4.0308594150564305, 2.3272177649435686, 3.881763763494684 ] ]
[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Tb", "Tb", "Ir", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.17654477, 0, 0 ], [ 0, 0.17654477, 0 ], [ 0, 0, 0.46784848 ] ]
-24.718061
[ 0, 0, 0, 0 ]
[ [ 0, 0, -0.00452457 ], [ 0, 0, 0.00382431 ], [ 0, 0, -0.00095363 ], [ 0, 0, 0.00165388 ] ]
0
0.718339
pbe
true
9302cb1a11ea06d5d03e52ec11977525_160_Tb2Ir1Cl1
[ "Cl", "Ir", "Tl" ]
3
ABC
ClIrTl
Tl1 Ir1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 3.44046765, 0, 0 ], [ -1.72023383, 2.97953239, 0 ], [ 0, 0, 6.06106244 ] ]
agm004170690
[ [ 1.7202338405356716, 0.9931774534015587, 3.88881608863987 ], [ -2.0535671588925376e-8, 1.9863549365984414, 1.9990240961349013 ], [ 0, 0, 0.1732222552252288 ] ]
[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Tl", "Ir", "Cl" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.8810773, 0, 0 ], [ 0, 2.8810773, 0 ], [ 0, 0, 3.0490537 ] ]
-11.307267
[ 0, 0, 0 ]
[ [ 0, 0, 0.00066347 ], [ 0, 0, -0.00211906 ], [ 0, 0, 0.00145559 ] ]
-0.000002
2.388262
pbe
true
2665a75903bf25bb84589e24a1705dcc_156_Tl1Ir1Cl1
[ "Bi", "Cd", "Pb" ]
5
A3BC
BiCdPb3
Cd1 Bi1 Pb3
3
[ 1, 1, 1 ]
3
[ [ 6.09132841, 0, 0 ], [ 0, 6.09132841, 0 ], [ 0, 0, 6.09132841 ] ]
agm002444343
[ [ 0, 3.045664205, 0 ], [ 0, 0, 3.045664205 ], [ 3.045664205, 0, 0 ], [ 0, 0, 0 ], [ 3.045664205, 3.045664205, 3.045664205 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Pb", "Pb", "Pb", "Bi", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 3.0443635, 0, 0 ], [ 0, 3.0443635, 0 ], [ 0, 0, 3.0443635 ] ]
-12.758578
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
4.76458
pbe
true
4ad85fb8c74a0e498ef25b583c09b10d_221_Cd1Bi1Pb3
[ "Ga", "H", "O", "P" ]
5
A2BCD
GaH2OP
Ga1 P1 H2 O1
4
[ 1, 1, 1 ]
3
[ [ 3.5097731, 0, -0.00278004 ], [ 0, 5.03492543, 0 ], [ -1.72028564, 0, 3.05044128 ] ]
agm002071172
[ [ 0.9837018015777008, 2.517462715, 0.4342319628528804 ], [ 1.3137565365427317, 0, 0.4639811795699988 ], [ 0.6275686058067403, 0, 2.551457628257309 ], [ 2.2372577270284153, 0, 1.5389806186138153 ], [ -0.7352768825987884, 2.517462715, 1.4587167964435968 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Ga", "P", "H", "H", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.28956768, 0, -0.07661218 ], [ 0, 0.82041866, 0 ], [ -0.07661214, 0, 0.26623622 ] ]
-22.237319
[ 0, 0, 0, 0, 0 ]
[ [ 0.00239613, 0, -0.00073123 ], [ 0.00129317, 0, -0.00059179 ], [ -0.00185876, 0, 0.00336145 ], [ -0.00062124, 0, -0.0012611 ], [ -0.0012093, 0, -0.00077733 ] ]
0
-0.00159
pbe
true
a97c340a1638781af79cebea7fdb6320_6_Ga1P1H2O1
[ "Ho", "Sn", "Te", "Tl" ]
12
A3BCD
HoSnTe3Tl
Ho1 Sn1 Te3 Tl1
4
[ 1, 1, 1 ]
3
[ [ 2.168618287, -7.958586097, 0 ], [ 2.168618287, 7.958586097, 0 ], [ 0, 0, 12.403761123 ] ]
oqmd-7474394
[ [ 0, 0, 0 ], [ 0, 0, 6.20188 ], [ 2.16862, -1.99675, 3.10094 ], [ 2.16862, 1.99675, 9.30282 ], [ 2.1686200000000007, 2.1497400000000004, 0.00721 ], [ 2.16862, -7.901880000000001, 3.10094 ], [ 2.1686200000000007, 2.1497400000000004, 6.19467 ], [ 2.16862, -2.149740000000001, 6.20909 ], [ 2.1686200000000007, 7.901880000000001, 9.30282 ], [ 2.16862, -2.149740000000001, 12.39655 ], [ 2.16862, 3.227630000000001, 3.10094 ], [ 2.1686200000000007, -3.227630000000001, 9.30282 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Ho", "Ho", "Sn", "Sn", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 5.12883684, 0, 0 ], [ 0, 6.57500675, 0 ], [ 0, 0, 7.68587976 ] ]
-48.5549
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.001205, 0 ], [ 0, -0.001205, 0 ], [ 0, -0.035152, 0.041533 ], [ 0, 0.000888, 0 ], [ 0, -0.035152, -0.041533 ], [ 0, 0.035152, 0.041533 ], [ 0, -0.000888, 0 ], [ 0, 0.035152, -0.041533 ], [ 0, 0.019904, 0 ], [ 0, -0.019904, 0 ] ]
0.005034
null
pbe
true
9be131c3e9a6ce4988ad5bcb9c84cbfe_63_Ho2Tl2Sn2Te6
[ "Ho", "Sn", "Tm", "Zn" ]
12
A2B2CD
HoSn2TmZn2
Ho1 Sn2 Tm1 Zn2
4
[ 1, 1, 1 ]
3
[ [ 4.488957031, 0, 0 ], [ -2.244478515, 3.887550825, 0 ], [ 0, 0, 15.635667199 ] ]
oqmd-6153744
[ [ 0, 0, 3.9089199999999993 ], [ 0, 0, 11.726749999999996 ], [ 2.2444800000000003, 1.2958500000000002, 1.7513499999999995 ], [ 2.2444800000000003, 1.2958500000000002, 6.066479999999999 ], [ -1.4877771492978661e-16, 2.5917000000000003, 9.56918 ], [ -1.4877771492978661e-16, 2.5917000000000003, 13.88432 ], [ 0, 0, 0 ], [ 0, 0, 7.817829999999999 ], [ -1.4877771492978661e-16, 2.5917000000000003, 2.5107299999999997 ], [ -1.4877771492978661e-16, 2.5917000000000003, 5.307099999999999 ], [ 2.2444800000000003, 1.2958500000000002, 10.328559999999998 ], [ 2.2444800000000003, 1.2958500000000002, 13.12494 ] ]
[{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ho", "Ho", "Sn", "Sn", "Sn", "Sn", "Tm", "Tm", "Zn", "Zn", "Zn", "Zn" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.3333333333333333 ]
[ [ 3.66445776, 0, 0 ], [ 0, 3.66445776, 0 ], [ 0, 0, 3.61540142 ] ]
-45.7516
[ 0, 0, 0, 0, 0, 0, 0.001, 0.001, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.014493 ], [ 0, 0, 0.014493 ], [ 0, 0, -0.014493 ], [ 0, 0, 0.014493 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.002456 ], [ 0, 0, 0.002456 ], [ 0, 0, -0.002456 ], [ 0, 0, 0.002456 ] ]
0.011738
null
pbe
true
7043166c6fdb40bc7ab22f5c0efebcac_194_Ho2Tm2Zn4Sn4
[ "Bi", "Cd", "Tc" ]
8
A2BC
BiCd2Tc
Cd4 Tc2 Bi2
3
[ 1, 1, 1 ]
3
[ [ 8.40603699, 0, 0 ], [ 0, 8.40603699, 0 ], [ 4.20301849, 4.20301849, 2.74421629 ] ]
agm002896188
[ [ 4.203018495, 4.203018495, 0 ], [ 4.2030184925, 8.4060369875, 1.372108145 ], [ 0, 0, 0 ], [ 8.4060369875, 4.2030184925, 1.372108145 ], [ 5.945277929683932, 2.10150924625, 0.6860540725 ], [ 2.4607590578160687, 6.30452774125, 0.6860540725 ], [ 6.30452773875, 6.66377755031607, 2.0581622174999996 ], [ 10.50754623375, 10.148296422183932, 2.0581622174999996 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Tc", "Tc", "Bi", "Bi", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.5809116, 0, 0 ], [ 0, 4.5809116, 0 ], [ 0, 0, 5.679427 ] ]
-26.905557
[ 1.692, 1.69, 0.018, 0.019, 0.009, 0.008, 0.007, 0.007 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0136295, 0, 0 ], [ -0.0136295, 0, 0 ], [ 0, -0.0136295, 0 ], [ 0, 0.0136295, 0 ] ]
3.940824
2.834249
pbe
true
5887b33e0d929b6c0161da02b0580919_122_Cd4Tc2Bi2
[ "Ir", "Ni", "Te", "Tl" ]
12
A3BCD
IrNiTe3Tl
Ir1 Ni1 Te3 Tl1
4
[ 1, 1, 1 ]
3
[ [ 2.002412735, -7.449951569, 0 ], [ 2.002412735, 7.449951569, 0 ], [ 0, 0, 10.368424378 ] ]
oqmd-9029068
[ [ 2.00241, 9.18087990010354e-17, 0 ], [ 2.00241, 9.18087990010354e-17, 5.18421 ], [ 2.0024099999999994, 6.958059999999999, 2.59211 ], [ 2.0024099999999994, -6.958059999999999, 7.776320000000001 ], [ 2.00241, 5.69152, 0.43566 ], [ 2.0024099999999994, 1.01592, 2.59211 ], [ 2.00241, 5.69152, 4.74855 ], [ 2.00241, -5.691520000000001, 5.61987 ], [ 2.0024099999999994, -1.0159199999999995, 7.776320000000001 ], [ 2.00241, -5.691520000000001, 9.93276 ], [ 2.00241, -3.5772500000000007, 2.59211 ], [ 2.00241, 3.5772500000000003, 7.776320000000001 ] ]
[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "Ir", "Ir", "Ni", "Ni", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]
[ [ 3.65634493, 0, 0 ], [ 0, 5.28408675, 0 ], [ 0, 0, 6.12743212 ] ]
-53.7524
[ 0.002, 0.002, 0.01, 0.009, 0.001, 0, 0.001, 0.001, 0, 0.001, 0.001, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.053991, 0 ], [ 0, 0.053991, 0 ], [ 0, -0.075356, -0.028547 ], [ 0, -0.000295, 0 ], [ 0, -0.075356, 0.028547 ], [ 0, 0.075356, -0.028547 ], [ 0, 0.000295, 0 ], [ 0, 0.075356, 0.028547 ], [ 0, 0.042729, 0 ], [ 0, -0.042729, 0 ] ]
0.057802
null
pbe
true
49d4096a8068d665969d09ceda2a39f0_63_Tl2Ni2Te6Ir2
[ "Ir", "Np", "Re", "Si" ]
5
A2BCD
IrNpReSi2
Np1 Re1 Si2 Ir1
4
[ 1, 1, 1 ]
3
[ [ 4.15966217, 0, 0 ], [ 0, 4.15966217, 0 ], [ -2.07983109, -2.07983109, 4.90038669 ] ]
agm005019032
[ [ 0, 0, 0 ], [ 2.0798310824999997, -2.4999999848063226e-9, 2.450193345 ], [ 2.079831083766857, 2.079831083766857, 1.208575508813334 ], [ -3.766857077497644e-9, -3.766857077497644e-9, 3.6918111811866665 ], [ -2.4999999848063226e-9, 2.0798310824999997, 2.450193345 ] ]
[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Np", "Re", "Si", "Si", "Ir" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 5.8775177, 0, 0 ], [ 0, 5.8775177, 0 ], [ 0, 0, 5.5581317 ] ]
-47.49092
[ 3.587, -0.202, -0.014, -0.014, -0.071 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00420336 ], [ 0, 0, -0.00420336 ], [ 0, 0, 0 ] ]
3.533902
12.93824
pbe
true
acd15f60ac10a3e9d608664a352b8491_119_Np1Re1Si2Ir1
[ "Bi", "Cd", "Ti" ]
8
A2BC
BiCd2Ti
Ti2 Cd4 Bi2
3
[ 1, 1, 1 ]
3
[ [ 8.33700023, 0, 0 ], [ 0, 8.33700023, 0 ], [ 4.16850012, 4.16850012, 2.83413242 ] ]
agm002898183
[ [ 4.168500115, 4.168500115, 0 ], [ 4.1685001175, 8.3370002325, 1.41706621 ], [ 0, 0, 0 ], [ 8.3370002325, 4.1685001175, 1.41706621 ], [ 6.116281400135119, 2.08425005875, 0.708533105 ], [ 2.2207188323648817, 6.25275017375, 0.708533105 ], [ 6.252750176249999, 6.3892189498648815, 2.125599315 ], [ 10.421250291249999, 10.284781517635118, 2.125599315 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]
[ "Ti", "Ti", "Bi", "Bi", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 5.8315363, 0, 0 ], [ 0, 5.8315363, 0 ], [ 0, 0, 6.2848787 ] ]
-25.161531
[ 0.681, 0.687, -0.079, -0.077, -0.003, -0.007, -0.002, -0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00584723, 0, 0 ], [ -0.00584723, 0, 0 ], [ 0, -0.00584723, 0 ], [ 0, 0.00584723, 0 ] ]
1.51163
5.012592
pbe
true
f0246e3fe749d066b644bd30689b905c_122_Ti2Cd4Bi2
[ "K", "Nd", "O", "Tc" ]
10
A6B2CD
K2NdO6Tc
K2 Nd1 Tc1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.99163401, 0, 0 ], [ 0, 6.3071314, 0 ], [ 0, -3.1535657, 5.46213602 ] ]
agm004953786
[ [ 0.48690306769451824, -3.153565733199138e-8, 3.6414240315404536 ], [ 5.504730942305482, 3.153565731535657, 1.8207119884595464 ], [ 2.995817005, 0, 0 ], [ 0, 0, 0 ], [ 4.825576830618378, 3.016783627110442e-17, 1.5190588083277419 ], [ 4.825576830618378, -1.8380221827702952, 4.702606615836129 ], [ 4.825576830618378, 1.8380221827702945, 4.702606615836129 ], [ 1.1660571793816223, 4.991587882770295, 0.7595294041638709 ], [ 1.1660571793816223, 1.3155435172297052, 0.7595294041638709 ], [ 1.1660571793816223, 3.1535657000000006, 3.9430772116722577 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "K", "K", "Nd", "Tc", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.6, 0.1 ]
[ [ 0.39529088, 0, 0 ], [ 0, 0.7175198, 0 ], [ 0, 0, 0.7175198 ] ]
-65.328756
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00028118, 0, 0 ], [ 0.00028118, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00159729, 0, 0.00057635 ], [ 0.00159729, 0.00049913, -0.00028817 ], [ 0.00159729, -0.00049913, -0.00028817 ], [ -0.00159729, -0.00049913, 0.00028817 ], [ -0.00159729, 0.00049913, 0.00028817 ], [ -0.00159729, 0, -0.00057635 ] ]
0
-0.002055
pbe
true
5f5d7a5853fd18d92f20e2db26f19634_164_K2Nd1Tc1O6
[ "Ag", "Ga", "Li", "Zn" ]
10
A2BCD
Ag2GaLiZn
Li2 Zn2 Ga2 Ag4
4
[ 1, 1, 1 ]
3
[ [ 4.3710485, 0, 0 ], [ 0, 6.68922611, 0.94654759 ], [ 0, -1.7082864, 5.27389641 ] ]
agm004999210
[ [ 1.092762125, 4.555381441159528, 2.051423179199572 ], [ 3.2782863749999995, 0.4255582688404713, 4.169020820800428 ], [ 1.092762125, 4.879680910334158, 5.375226415150806 ], [ 3.2782863749999995, 0.10125879966584274, 0.8452175848491943 ], [ 1.092762125, 2.558172417582032, 4.014579132045193 ], [ 3.2782863749999995, 2.422767292417968, 2.205864867954807 ], [ 3.2782863749999995, 4.7785400969666405, 3.6837841509203306 ], [ 3.2782863749999995, 2.758955735287976, 5.743717643593408 ], [ 1.092762125, 0.2023996130333589, 2.536659849079669 ], [ 1.092762125, 2.221983974712024, 0.4767263564065922 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Li", "Li", "Zn", "Zn", "Ga", "Ga", "Ag", "Ag", "Ag", "Ag" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 5.673843, 0, 0 ], [ 0, 5.7324204, 0.00172843 ], [ 0, 0.00172858, 5.6406374 ] ]
-25.321156
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00161027, -0.00402934 ], [ 0, -0.00161027, 0.00402934 ], [ 0, 0.00411292, -0.00621684 ], [ 0, -0.00411292, 0.00621684 ], [ 0, -0.00123351, 0.00190111 ], [ 0, 0.00123351, -0.00190111 ], [ 0, -0.00179471, -0.00034974 ], [ 0, 0.00220347, -0.00167428 ], [ 0, 0.00179471, 0.00034974 ], [ 0, -0.00220347, 0.00167428 ] ]
0.000001
2.040552
pbe
true
55009ad16909552d011ce571b326d645_11_Li2Zn2Ga2Ag4
[ "Nd", "Pm", "Sc", "Tm" ]
10
A2BCD
NdPmScTm2
Pm2 Nd2 Tm4 Sc2
4
[ 1, 1, 1 ]
3
[ [ 5.59791104, 0, 0 ], [ 0, 9.40018946, 0.8564303 ], [ 0, -2.53297459, 5.66436768 ] ]
agm005000051
[ [ 1.39947776, 6.246807273658947, 5.672241272356965 ], [ 4.19843328, 0.6204075963410525, 0.8485567076430344 ], [ 1.39947776, 5.849505598572887, 2.098416723851737 ], [ 4.19843328, 1.0177092714271139, 4.422381256148262 ], [ 4.19843328, 7.068635643339391, 3.7800772762780004 ], [ 4.19843328, 4.1385400668964, 5.845016172960094 ], [ 1.39947776, -0.20142077333939098, 2.7407207037219994 ], [ 1.39947776, 2.7286748031035994, 0.6757818070399064 ], [ 1.39947776, 3.044629744591381, 4.13915503947578 ], [ 4.19843328, 3.82258512540862, 2.38164294052422 ] ]
[{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Nd", "Nd", "Tm", "Tm", "Tm", "Tm", "Sc", "Sc" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.7331948, 0, 0 ], [ 0, 0.78398705, -0.05357587 ], [ 0, -0.05357602, 0.741785 ] ]
-49.270868
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00170021, -0.00290022 ], [ 0, 0.00170021, 0.00290022 ], [ 0, -0.00047125, -0.00119316 ], [ 0, 0.00047125, 0.00119316 ], [ 0, 0.0006588, -0.00117733 ], [ 0, 0.00214062, -0.00434341 ], [ 0, -0.0006588, 0.00117733 ], [ 0, -0.00214062, 0.00434341 ], [ 0, -0.00320195, -0.00269629 ], [ 0, 0.00320195, 0.00269629 ] ]
0.000406
16.02514
pbe
true
3b21117db37fadc5876e6613ae385f45_11_Pm2Nd2Tm4Sc2
[ "Al", "In", "Mn" ]
4
A2BC
AlIn2Mn
Mn1 Al1 In2
3
[ 1, 1, 1 ]
3
[ [ 9.54592051, 0.02114919, 0.01244262 ], [ 9.02358616, 3.11447243, 0.01244262 ], [ 9.02358616, 1.52371047, 2.71632099 ] ]
agm004343185
[ [ 13.647688853386285, 2.3045301598007932, 1.3558150201027697 ], [ 20.993364470028826, 3.5449109440143594, 2.0855632903657964 ], [ 0.12387560315821712, 0.0209174657048833, 0.0123062890127751 ], [ 6.624710594357599, 1.1186396120732847, 0.6581247729307208 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Mn", "Al", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.349345, -0.01589824, -0.00935335 ], [ -0.01589824, 4.4408116, -0.00157939 ], [ -0.00935335, -0.00157939, 4.442567 ] ]
-17.670168
[ 3.203, -0.033, -0.014, -0.028 ]
[ [ 0.00282183, 0.00047649, 0.00028033 ], [ -0.00303971, -0.00051328, -0.00030198 ], [ 0.00412245, 0.00069611, 0.00040954 ], [ -0.00390457, -0.00065932, -0.0003879 ] ]
3.1681
2.322843
pbe
true
a2282c52910d0f45668d7eac3fb35374_160_Mn1Al1In2
[ "Nd", "Pm", "Se", "Te" ]
5
A2BCD
NdPmSe2Te
Pm1 Nd1 Te1 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.70422512, 0, 0 ], [ 0, 4.70422512, 0 ], [ -2.35211256, -2.35211256, 7.24377445 ] ]
agm005015318
[ [ 2.3521125599999997, 2.3521125599999997, 5.23887732784636 ], [ 1.955725589799613e-17, 1.955725589799613e-17, 1.982222514494761 ], [ 2.3521125835211256, 2.3521125835211256, 0.0031180827120025 ], [ 2.3521125599999997, -5.566632146299072e-17, 3.6316726950290166 ], [ -5.566632146299072e-17, 2.3521125599999997, 3.6316726950290166 ] ]
[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Pm", "Nd", "Te", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 0.37278122, 0, 0 ], [ 0, 0.37278122, 0 ], [ 0, 0, 0.4879155 ] ]
-26.637838
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00275554 ], [ 0, 0, 0.0006812 ], [ 0, 0, 0.00350308 ], [ 0, 0, -0.00071437 ], [ 0, 0, -0.00071437 ] ]
0
0.021817
pbe
true
05fd70540cb0c77a7e1e08f4b69d2363_107_Pm1Nd1Te1Se2
[ "Al", "In", "Na" ]
4
A2BC
AlInNa2
Na2 Al1 In1
3
[ 1, 1, 1 ]
3
[ [ 5.10437868, 0, 0 ], [ 0, 4.40390869, 0 ], [ 0, 0, 4.40390869 ] ]
agm001244539
[ [ 0, 0, 2.201954345 ], [ 0, 2.201954345, 0 ], [ 2.55218934, 0, 0 ], [ 2.55218934, 2.201954345, 2.201954345 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Na", "Na", "Al", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.8305064, 0, 0 ], [ 0, 1.7227309, 0 ], [ 0, 0, 1.7227309 ] ]
-8.858062
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000001
1.511862
pbe
true
711b6b166d2a2eb0d0b0a1e3c5455a33_123_Na2Al1In1
[ "Al", "In", "Sr" ]
4
A2BC
AlInSr2
Sr2 Al1 In1
3
[ 1, 1, 1 ]
3
[ [ 4.82184762, 0, 0 ], [ 0, 4.44780055, 0.00719892 ], [ 0, 2.20483962, 6.37978578 ] ]
agm003168897
[ [ 0, 6.377906037184375, 5.888107566357073 ], [ 2.41092381, 1.9371314878594323, 2.1060003878461977 ], [ 0, 4.159296615626682, 3.1520993012846454 ], [ 2.41092381, 4.157266262281114, 4.821254430714225 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Al", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.4012502, 0, 0 ], [ 0, 1.5055522, -0.00449608 ], [ 0, -0.00449599, 1.5167298 ] ]
-10.989861
[ 0, 0, 0, 0 ]
[ [ 0, 0.00124486, -0.00061482 ], [ 0, 0.00090973, 0.00275758 ], [ 0, 0.00036662, 0.00604548 ], [ 0, -0.00252122, -0.00818825 ] ]
-0.000004
2.365413
pbe
true
aad2523dfcc462dc4af063e6f5a6ce07_38_Sr2Al1In1
[ "Nd", "Pr", "Si", "Sn" ]
5
A2BCD
NdPrSi2Sn
Nd1 Pr1 Si2 Sn1
4
[ 1, 1, 1 ]
3
[ [ -2.17033089, 3.128974249, 4.462841385 ], [ 2.17033089, -3.128974249, 4.462841385 ], [ 2.17033089, 3.128974249, -4.462841385 ] ]
oqmd-6457151
[ [ 1.9700935854044145e-17, 4.550443806443225e-17, 1.93206 ], [ -1.0281624973406091e-16, -1.9562639362634447e-16, 6.99337 ], [ -7.950499024546048e-18, 1.93273, 4.465770000000001 ], [ 2.1703300000000003, 1.1962399999999995, 0.0029300000000003217 ], [ 2.17033, 1.8322233193687662e-16, 4.45722 ] ]
[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
[ "Nd", "Pr", "Si", "Si", "Sn" ]
2024-11-01 00:00:00
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.28871655, 0, 0 ], [ 0, 2.89634608, 0 ], [ 0, 0, 2.42837226 ] ]
-27.8341
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0.012076 ], [ 0, 0, -0.009846 ], [ 0, 0.013282, 0.002385 ], [ 0, -0.013282, 0.002385 ], [ 0, 0, -0.006999 ] ]
0.002903
null
pbe
true
2cc1660fcfce9bfd1204708bb67bb946_44_Pr1Nd1Si2Sn1
[ "Cl", "La", "Mo" ]
3
ABC
ClLaMo
La1 Mo1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 7.21872649, 0.02101704, -0.01712025 ], [ 6.16164743, 3.28769174, -0.02644267 ], [ 1.0570792, -0.66979726, 3.19728391 ] ]
agm003905614
[ [ 13.280283504119424, 3.276395155017818, -0.017240600004398497 ], [ 5.146589322654387, 0.6504779661711404, 2.1218023753623716 ], [ 9.39095408999324, 2.020747139025981, 1.005596327050495 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Cl", "La", "Mo" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 0.6911797, 0.01249534, -0.01017854 ], [ 0.01249534, 0.59878385, -0.07415134 ], [ -0.01017854, -0.07415134, 0.5681577 ] ]
-17.21201
[ 0.044, 0.074, 2.339 ]
[ [ 0.00064841, 0.00020933, -0.00017052 ], [ -0.00247147, -0.0007979, 0.00064996 ], [ 0.00182307, 0.00058857, -0.00047944 ] ]
2.827554
1.26267
pbe
true
f92af0c161fe679cec9787419e3cf2ab_42_La1Mo1Cl1
[ "Bi", "Cd", "Tl" ]
5
A3BC
BiCd3Tl
Tl1 Cd3 Bi1
3
[ 1, 1, 1 ]
3
[ [ 5.81394025, 0, 0 ], [ 0, 5.81394025, 0 ], [ 0, 0, 5.81394025 ] ]
agm002443920
[ [ 2.906970125, 2.906970125, 2.906970125 ], [ 0, 0, 0 ], [ 0, 2.906970125, 0 ], [ 0, 0, 2.906970125 ], [ 2.906970125, 0, 0 ] ]
[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Tl", "Bi", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 5.3573356, 0, 0 ], [ 0, 5.3573356, 0 ], [ 0, 0, 5.3573356 ] ]
-7.133042
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
2.755629
pbe
true
33fa2017c76e91be1c04307dda960593_221_Tl1Cd3Bi1
[ "Bi", "Ce", "H" ]
11
A4B4C3
Bi3Ce4H4
Ce4 Bi3 H4
3
[ 1, 1, 1 ]
3
[ [ 4.40972084, 0, 0 ], [ 0, 7.13786615, 0 ], [ -2.20486043, -3.56893308, 7.37253307 ] ]
agm003378340
[ [ 1.770728149630667e-8, 3.56893310851867, 3.200654517329169 ], [ 2.204860392292719, -3.851866948461001e-8, 4.171878552670831 ], [ 2.20486042, 5.682136821806049, 0 ], [ -9.99999993922529e-9, -2.1132037518060485, 7.37253307 ], [ -2.462705881884044e-8, -3.697855808731636e-8, 1.900974254524693 ], [ 2.2048604346270593, 3.5689331069785584, 5.471558815475307 ], [ 0, 3.568933075, 0 ], [ -0.0000021892346482419033, -1.3643889491196082, 4.7352545009320774 ], [ 2.2048625992346484, 2.2045369894370737, 2.637278569067923 ], [ 2.2048625992346484, 4.9333220191196085, 2.637278569067923 ], [ -0.0000021892346482419033, 1.3643960805629263, 4.7352545009320774 ] ]
[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Ce", "Ce", "Ce", "Ce", "Bi", "Bi", "Bi", "H", "H", "H", "H" ]
2023-11-16 06:57:59
[ 0.2727272727272727, 0.36363636363636365, 0.36363636363636365 ]
[ [ 3.3415341, 0, 0 ], [ 0, 3.794752, 0 ], [ 0, 0, 3.2717624 ] ]
-54.236858
[ 0.747, 0.747, 0.737, 0.737, -0.052, -0.052, -0.038, -0.007, -0.007, -0.007, -0.007 ]
[ [ 0, 0, -0.00256268 ], [ 0, 0, 0.00256268 ], [ 0, -0.00220115, 0 ], [ 0, 0.00220115, 0 ], [ 0, 0, 0.0013684 ], [ 0, 0, -0.0013684 ], [ 0, 0, 0 ], [ 0, 0.00078456, 0.00076159 ], [ 0, 0.00078456, -0.00076159 ], [ 0, -0.00078456, -0.00076159 ], [ 0, -0.00078456, 0.00076159 ] ]
3.087451
20.187105
pbe
true
72cacb70a5e61be55f64c3f47e76f431_71_Ce4Bi3H4
[ "Al", "Mg", "O", "Sn" ]
16
A8B6CD
AlMg6O8Sn
Mg6 Al1 Sn1 O8
4
[ 1, 1, 1 ]
3
[ [ 4.37806864, 0, 0 ], [ 0, 4.37806864, 0 ], [ 0, 0, 9.21692735 ] ]
agm005276432
[ [ 2.18903432, 2.18903432, 0 ], [ 2.18903432, 2.18903432, 4.608463675 ], [ 0, 2.18903432, 2.2143989629139513 ], [ 0, 2.18903432, 7.002528387086049 ], [ 2.18903432, 0, 2.2143989629139513 ], [ 2.18903432, 0, 7.002528387086049 ], [ 0, 0, 0 ], [ 0, 0, 4.608463675 ], [ 0, 0, 1.7827392862375555 ], [ 0, 0, 7.434188063762445 ], [ 2.18903432, 2.18903432, 2.2653189840903085 ], [ 2.18903432, 2.18903432, 6.951608365909691 ], [ 0, 2.18903432, 0 ], [ 0, 2.18903432, 4.608463675 ], [ 2.18903432, 0, 0 ], [ 2.18903432, 0, 4.608463675 ] ]
[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}]
[ "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Al", "Sn", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.0625, 0.375, 0.5, 0.0625 ]
[ [ 0.76197493, 0, 0 ], [ 0, 0.76197493, 0 ], [ 0, 0, 1.0664259 ] ]
-92.142374
[ 0, 0, 0, 0, 0, 0, 0, 0.001, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00256154 ], [ 0, 0, 0.00256154 ], [ 0, 0, -0.00256154 ], [ 0, 0, 0.00256154 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00097895 ], [ 0, 0, -0.00097895 ], [ 0, 0, 0.00183645 ], [ 0, 0, -0.00183645 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.002517
2.955344
pbe
true
3a6a0f2b7be404fb30f6bb4e8ca58a6d_123_Mg6Al1Sn1O8
[ "Ce", "K", "Te" ]
11
A6B3C2
Ce3K2Te6
K2 Ce3 Te6
3
[ 1, 1, 1 ]
3
[ [ 7.60723955, 0, 2.26449072 ], [ 3.80361977, 6.87340837, 1.13224487 ], [ 0.15634496, 0, 8.73784147 ] ]
agm005604472
[ [ 3.881792251667912, 4.580560034818977, 5.501165768455396 ], [ 7.685412028332088, 2.2928483351810227, 6.633411291544604 ], [ 0, 0, 0 ], [ 3.803623614990706, 2.2892119584828743, 1.1322463403716525 ], [ 7.763580665009295, 4.584196411517126, 11.002330719628347 ], [ 5.724410366687816, 4.584786012487104, 8.584620904281271 ], [ 9.524775081273829, 6.87340837, 9.713438206097806 ], [ 1.92079059335814, 2.288622357512896, 7.4523757079730135 ], [ 2.042429198726172, 0, 2.4211388539021943 ], [ 5.8427939133121845, 2.288622357512896, 3.549956155718729 ], [ 9.64641368664186, 4.584786012487104, 4.682201352026986 ] ]
[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "K", "K", "Ce", "Ce", "Ce", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2727272727272727, 0.18181818181818182, 0.5454545454545454 ]
[ [ 0.89038587, 0, 0.03742009 ], [ 0, 0.8979454, -6e-8 ], [ 0.03742045, -6e-8, 0.77315676 ] ]
-53.321213
[ -0.001, -0.001, 0.719, 0.719, 0.719, -0.026, -0.026, -0.026, -0.026, -0.026, -0.026 ]
[ [ 0, -0.00096987, 0 ], [ 0, 0.00096987, 0 ], [ 0, 0, 0 ], [ 0, -0.0006289, 0 ], [ 0, 0.0006289, 0 ], [ -0.00077271, -0.00143924, -0.00007103 ], [ -0.00117967, 0, 0.00419507 ], [ -0.00077271, 0.00143924, -0.00007103 ], [ 0.00117967, 0, -0.00419507 ], [ 0.00077271, 0.00143924, 0.00007103 ], [ 0.00077271, -0.00143924, 0.00007103 ] ]
2.00837
13.869496
pbe
true
39d24b5b95731d631cd57ab2f47342d7_12_K2Ce3Te6
[ "As", "Cs", "H", "In" ]
10
A2BCD
AsCs2HIn
Cs4 In2 As2 H2
4
[ 1, 1, 1 ]
3
[ [ 4.50818891, 0, 0 ], [ 0, 7.39667763, -0.76542574 ], [ 0, -4.14793903, 11.48746365 ] ]
agm005002001
[ [ 3.3811416825, 3.5289792267836626, 5.870668843332264 ], [ 3.3811416825, 5.429861245510302, 0.47691839671510816 ], [ 1.1270472275, -0.28024062678366235, 4.851369066667737 ], [ 1.1270472275, -2.181122645510302, 10.245119513284893 ], [ 1.1270472275, 1.2711640142127696, 8.604137489272668 ], [ 3.3811416825, 1.977574585787231, 2.1179004207273318 ], [ 1.1270472275, 3.354950004907117, 2.7494696371902627 ], [ 3.3811416825, -0.10621140490711693, 7.972568272809737 ], [ 1.1270472275, 2.8673697761732804, 7.584632373352678 ], [ 3.3811416825, 0.3813688238267202, 3.137405536647323 ] ]
[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]
[ "Cs", "Cs", "Cs", "Cs", "In", "In", "As", "As", "H", "H" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 1.8434237, 0, 0 ], [ 0, 2.0856998, 0.01850843 ], [ 0, 0.01850843, 2.0575213 ] ]
-27.359263
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00016376, 0.00282167 ], [ 0, -0.00057477, 0.00092522 ], [ 0, -0.00016376, -0.00282167 ], [ 0, 0.00057477, -0.00092522 ], [ 0, 0.00773274, -0.00016735 ], [ 0, -0.00773274, 0.00016735 ], [ 0, -0.00122584, -0.00399021 ], [ 0, 0.00122584, 0.00399021 ], [ 0, -0.00026484, 0.00530208 ], [ 0, 0.00026484, -0.00530208 ] ]
-0.001128
5.569184
pbe
true
3af40f416d228610d520e8fff760ae26_11_Cs4In2As2H2
[ "As", "Na", "Sm", "Te" ]
12
A3BCD
AsNaSmTe3
As1 Na1 Sm1 Te3
4
[ 1, 1, 1 ]
3
[ [ 2.195612314, -7.726511331, 0 ], [ 2.195612314, 7.726511331, 0 ], [ 0, 0, 10.86889613 ] ]
oqmd-7483254
[ [ 2.1956099999999994, 0.5757499999999998, 2.71722 ], [ 2.19561, -0.5757499999999998, 8.151670000000001 ], [ 2.19561, -4.153529999999999, 2.71722 ], [ 2.19561, 4.153529999999999, 8.151670000000001 ], [ 0, 0, 0 ], [ 0, 0, 5.434450000000001 ], [ 2.19561, 2.2285899999999996, 0.5461 ], [ 2.19561, 5.94825, 2.71722 ], [ 2.19561, 2.2285899999999996, 4.88835 ], [ 2.19561, -2.22859, 5.98055 ], [ 2.19561, -5.94825, 8.151670000000001 ], [ 2.19561, -2.22859, 10.32279 ] ]
[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "As", "As", "Na", "Na", "Sm", "Sm", "Te", "Te", "Te", "Te", "Te", "Te" ]
2024-11-01 00:00:00
[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]
[ [ 5.30383243, 0, 0 ], [ 0, 4.29132841, 0 ], [ 0, 0, 3.78511541 ] ]
-48.1707
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.056124, 0 ], [ 0, 0.056124, 0 ], [ 0, -0.004292, 0 ], [ 0, 0.004292, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.039721, 0.017119 ], [ 0, -0.003414, 0 ], [ 0, -0.039721, -0.017119 ], [ 0, 0.039721, 0.017119 ], [ 0, 0.003414, 0 ], [ 0, 0.039721, -0.017119 ] ]
0.014231
null
pbe
true
874432f18ffa77ee50905b37adacaafb_63_Na2Sm2Te6As2