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LeMat-Bulk
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[ "Hf", "N", "Pm", "V" ]
12
A3BCD
HfN3PmV
Pm2 Hf2 V2 N6
4
[ 1, 1, 1 ]
3
[ [ 3.35347658, 0, 0 ], [ 0, 6.89237787, 0.30215879 ], [ 0, -2.36154625, 7.70178345 ] ]
agm005040662
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[ "Pm", "Pm", "Hf", "Hf", "V", "V", "N", "N", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]
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-112.769125
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0.000001
4.385021
pbe
true
1ce546b06d12c92aab94873910e7715f_11_Pm2Hf2V2N6
[ "Hf", "Np", "Rb", "Se" ]
11
A6B2C2D
HfNp2Rb2Se6
Rb2 Hf1 Np2 Se6
4
[ 1, 1, 1 ]
3
[ [ 7.08580984, 0.00214492, 0.05404589 ], [ -3.50034768, 6.16086615, 0.05404589 ], [ -1.28281224, -2.20501171, 8.17401875 ] ]
agm004584199
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "Hf", "Np", "Np", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.18181818181818182, 0.18181818181818182, 0.5454545454545454 ]
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-72.695325
[ 0, 0, 0.181, 3.87, 3.87, -0.057, -0.058, -0.057, -0.058, -0.058, -0.058 ]
[ [ -0.00041591, 0.00024197, 0 ], [ 0.00041591, -0.00024197, 0 ], [ 0, 0, 0 ], [ -0.00017851, 0.00010385, 0 ], [ 0.00017851, -0.00010385, 0 ], [ 0.00241018, 0.00414283, -0.00570148 ], [ 0.00245223, -0.00450799, -0.00501387 ], [ -0.00241018, -0.00414283, 0.00570148 ], [ -0.0051309, -0.00009634, -0.00501387 ], [ -0.00245223, 0.00450799, 0.00501387 ], [ 0.0051309, 0.00009634, 0.00501387 ] ]
8.00003
22.336748
pbe
true
8c606d4041695c38eb30c4d570ab0a5f_12_Rb2Hf1Np2Se6
[ "Hf", "Pd", "Se", "Zr" ]
5
A2BCD
HfPdSe2Zr
Hf1 Zr1 Pd1 Se2
4
[ 1, 1, 1 ]
3
[ [ 5.03513693, 0, 0 ], [ 0, 4.99416252, 0 ], [ 0, 0, 5.03513693 ] ]
agm001528278
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Se", "Se", "Hf", "Zr", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.4478707, 0, 0 ], [ 0, 2.5750768, 0 ], [ 0, 0, 2.4478707 ] ]
-29.981929
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0.456349
4.973786
pbe
true
b1deca9be108af2f4cf3184e056601f5_123_Hf1Zr1Pd1Se2
[ "Hg", "In", "Pt", "Pu" ]
4
ABCD
HgInPtPu
Pu1 In1 Hg1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 5.01144571, 0, 0 ], [ 2.50572285, 4.34003929, 0 ], [ 2.50572285, 1.44667976, 4.09182829 ] ]
agm001910437
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[{"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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "In", "Hg", "Pt", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 7.6397843, 0, 0 ], [ 0, 7.6397843, 0 ], [ 0, 0, 7.6397843 ] ]
-24.788574
[ -0.003, 0.022, -0.057, 5.201 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.399034
12.585811
pbe
true
fb889b183bf13919c4058b250dc8923d_216_Pu1In1Hg1Pt1
[ "Hg", "K", "Na", "Pt" ]
5
A2BCD
HgK2NaPt
K2 Na1 Hg1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 6.14366171, 0, 0 ], [ 0, 6.14366171, 0 ], [ 0, 0, 5.5323341 ] ]
agm001645504
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Na", "K", "K", "Hg", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.4851446, 0, 0 ], [ 0, 2.4851446, 0 ], [ 0, 0, 2.464008 ] ]
-9.774488
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000023
3.377698
pbe
true
7ff4a0e8ed438a4836e1739206e0256b_123_K2Na1Hg1Pt1
[ "Hg", "K", "Na", "Rb" ]
20
A5B2C2D
Hg5KNa2Rb2
K2 Rb4 Na4 Hg10
4
[ 1, 1, 1 ]
3
[ [ 4.5699388, 0, 0 ], [ 0, 12.53977214, 0 ], [ 0, 0, 12.53977214 ] ]
agm005141420
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "K", "K", "Rb", "Rb", "Rb", "Rb", "Na", "Na", "Na", "Na", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.5, 0.1, 0.2, 0.2 ]
[ [ 2.89524, 0, 0 ], [ 0, 2.9810557, 0 ], [ 0, 0, 2.9810557 ] ]
-18.139452
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0.000001
10.98691
pbe
true
a3fb8d36b09ab6dbcc56a4110a719134_127_K2Rb4Na4Hg10
[ "Hg", "K", "Pt", "Tl" ]
20
A6B2CD
Hg6K2PtTl
K4 Tl2 Hg12 Pt2
4
[ 1, 1, 1 ]
3
[ [ 7.98980749, 0, 0 ], [ 0, 8.04854397, 0 ], [ 0, 0, 10.16853964 ] ]
agm004926383
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "K", "K", "K", "K", "Tl", "Tl", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.6, 0.2, 0.1, 0.1 ]
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0
7.009329
pbe
true
3225ecec7d1ab64fde1e54f7688b2b31_59_K4Tl2Hg12Pt2
[ "Hg", "K", "Ta", "Te" ]
16
A4B2CD
HgK2TaTe4
K4 Ta2 Hg2 Te8
4
[ 1, 1, 1 ]
3
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agm004770387
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"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", "K", "K", "Ta", "Ta", "Hg", "Hg", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ 1.081914, 0, 0 ], [ 0, 1.1802796, 0 ], [ 0, 0, 1.1659122 ] ]
-61.274472
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0.00047
6.627132
pbe
true
5216d17e4dd154455700a68b8416cd3b_70_K4Ta2Hg2Te8
[ "Hg", "La", "Ru", "Tl" ]
5
A2BCD
HgLaRuTl2
La1 Tl2 Hg1 Ru1
4
[ 1, 1, 1 ]
3
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agm001483187
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}]
[ "Ru", "Tl", "Tl", "Hg", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-15.577005
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1.372969
6.564966
pbe
true
e7f118fa65cb93a6e29e5b43145e969b_123_La1Tl2Hg1Ru1
[ "Hg", "Mg", "Th", "Tm" ]
8
A4B2CD
Hg4MgThTm2
Tm2 Th1 Mg1 Hg4
4
[ 1, 1, 1 ]
3
[ [ 5.0495348, 0, 0 ], [ 2.5247674, 4.37302541, 0 ], [ 2.5247674, 1.45767514, 9.08689154 ] ]
agm004808618
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"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"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Tm", "Tm", "Th", "Mg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.125, 0.25 ]
[ [ 3.692829, 0, 0 ], [ 0, 3.692829, 0 ], [ 0, 0, 3.5775526 ] ]
-21.969114
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-0.000025
6.473503
pbe
true
706cd033fccbcf51e5b778c00acae113_166_Tm2Th1Mg1Hg4
[ "Hg", "N", "O", "Zn" ]
5
A2BCD
HgNO2Zn
Zn1 Hg1 N1 O2
4
[ 1, 1, 1 ]
3
[ [ 4.26661533, 0, 0 ], [ 0, 4.26661533, 0 ], [ 0, 0, 4.13070159 ] ]
agm001751854
[ [ 2.133307665, 2.133307665, 2.065350795 ], [ 0, 0, 0 ], [ 0, 2.133307665, 0 ], [ 2.133307665, 0, 0 ], [ 0, 0, 2.065350795 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Zn", "Hg", "O", "O", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.0468698, 0, 0 ], [ 0, 1.0468698, 0 ], [ 0, 0, 0.267766 ] ]
-13.940825
[ -0.06, 0.077, 0.119, 0.119, 0.912 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.527515
1.719796
pbe
true
4838f064d19fd6467fe5f6755b2293ed_123_Zn1Hg1N1O2
[ "Hg", "Na", "Pm", "Y" ]
8
A4B2CD
Hg4NaPmY2
Na1 Pm1 Y2 Hg4
4
[ 1, 1, 1 ]
3
[ [ 5.23866977, 0, 0 ], [ 2.61933488, 4.5368211, 0 ], [ 2.61933488, 1.5122737, 8.73553949 ] ]
agm004792946
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Na", "Pm", "Y", "Y", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
[ 0.5, 0.125, 0.125, 0.25 ]
[ [ 4.0682435, 0, 0 ], [ 0, 4.0682435, 0 ], [ 0, 0, 3.7916512 ] ]
-23.550675
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00148572 ], [ 0, 0, -0.00148572 ], [ 0, 0, -0.00053734 ], [ 0, 0, -0.00218464 ], [ 0, 0, 0.00218464 ], [ 0, 0, 0.00053734 ] ]
0.000001
8.109863
pbe
true
370e86ad0e7440e61522173caaeb354d_166_Na1Pm1Y2Hg4
[ "Hg", "O", "P", "Ru" ]
5
A2BCD
HgO2PRu
Hg1 P1 Ru1 O2
4
[ 1, 1, 1 ]
3
[ [ 4.04338899, 0, 0 ], [ 0, 4.04338899, 0 ], [ 0, 0, 5.25704738 ] ]
agm001754817
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Ru", "Hg", "O", "O", "P" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.31446204, 0, 0 ], [ 0, 0.31446204, 0 ], [ 0, 0, 0.86295867 ] ]
-18.919986
[ 2.714, 0.037, 0.277, 0.277, 0.032 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.668147
5.138639
pbe
true
ca3e4757d0dfcf3fcfc103aae7ae108d_123_Hg1P1Ru1O2
[ "Hg", "O", "Pr", "Zn" ]
18
A5B2CD
HgO5Pr2Zn
Pr4 Zn2 Hg2 O10
4
[ 1, 1, 1 ]
3
[ [ 5.78313516, 0, 0 ], [ 0, 6.88710102, 0 ], [ 0, 0, 6.88710102 ] ]
agm005145421
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pr", "Pr", "Pr", "Pr", "Zn", "Zn", "Hg", "Hg", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.5555555555555556, 0.2222222222222222, 0.1111111111111111 ]
[ [ 0.45828953, 0, 0 ], [ 0, 0.69183016, 0 ], [ 0, 0, 0.69183016 ] ]
-106.833786
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00054336, 0.00054336 ], [ 0, 0.00054336, -0.00054336 ], [ 0, -0.00054336, 0.00054336 ], [ 0, -0.00054336, -0.00054336 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00258929, -0.00106587, -0.00106587 ], [ 0.00258929, 0.00106587, 0.00106587 ], [ 0.00258929, 0.00106587, -0.00106587 ], [ 0.00258929, -0.00106587, 0.00106587 ], [ -0.00258929, -0.00106587, -0.00106587 ], [ -0.00258929, -0.00106587, 0.00106587 ], [ -0.00258929, 0.00106587, 0.00106587 ], [ -0.00258929, 0.00106587, -0.00106587 ] ]
-0.000438
10.908275
pbe
true
d9a580eda2b5f7364e2fa604225503c5_127_Pr4Zn2Hg2O10
[ "Hg", "O", "Rb", "U" ]
18
A12B3C2D
HgO12Rb2U3
Rb2 U3 Hg1 O12
4
[ 1, 1, 1 ]
3
[ [ 7.79338874, -0.15273343, -0.10833235 ], [ 3.71597492, 6.85213587, -0.10833235 ], [ 3.71597492, 2.16300502, 6.50268492 ] ]
agm004493203
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "U", "U", "U", "Hg", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.05555555555555555, 0.6666666666666666, 0.1111111111111111, 0.16666666666666666 ]
[ [ 0.5586122, 0.05066789, 0.03593825 ], [ 0.05066789, 0.5010593, 0.02091904 ], [ 0.03593825, 0.02091904, 0.48640406 ] ]
-137.899982
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0
16.09591
pbe
true
dde0103d59aad642292bd737e01332c5_166_Rb2U3Hg1O12
[ "Hg", "O", "Re", "Sr" ]
10
A6B2CD
HgO6ReSr2
Sr2 Re1 Hg1 O6
4
[ 1, 1, 1 ]
3
[ [ 6.05138247, 0.00006369, -0.000483 ], [ 3.02573232, 5.24077206, -0.00061955 ], [ 3.02594034, 1.74722059, 5.41472614 ] ]
agm004953583
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "Re", "Hg", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.6, 0.1, 0.2 ]
[ [ 0.7905682, 0.01274384, 0.02070115 ], [ 0.01274389, 0.7633263, 0.00377484 ], [ 0.02070118, 0.00377481, 0.97019774 ] ]
-65.089216
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-0.000001
5.484131
pbe
true
b5fcc4a12c93993661836923ba9da365_146_Sr2Re1Hg1O6
[ "Hg", "Os", "Pm", "Pr" ]
4
ABCD
HgOsPmPr
Pr1 Pm1 Hg1 Os1
4
[ 1, 1, 1 ]
3
[ [ 5.18323127, 0, 0 ], [ 2.59161564, 4.48880996, 0 ], [ 2.59161564, 1.49626999, 4.23209061 ] ]
agm001406006
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pr", "Os", "Hg", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.4049296, 0, 0 ], [ 0, 3.4049296, 0 ], [ 0, 0, 3.4049296 ] ]
-21.543866
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0
3.089888
pbe
true
5b301704d87cd0bfb2119690b94efe6e_216_Pr1Pm1Hg1Os1
[ "Hg", "Os", "Sb", "Te" ]
5
A2BCD
HgOsSb2Te
Hg1 Sb2 Te1 Os1
4
[ 1, 1, 1 ]
3
[ [ 5.44919871, 0, 0 ], [ 0, 5.44919871, 0 ], [ 0, 0, 5.45368287 ] ]
agm001785164
[ [ 0, 2.724599355, 0 ], [ 2.724599355, 0, 0 ], [ 0, 0, 2.726841435 ], [ 2.724599355, 2.724599355, 2.726841435 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]
[ "Sb", "Sb", "Te", "Os", "Hg" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 2.013059, 0, 0 ], [ 0, 2.013059, 0 ], [ 0, 0, 2.0700912 ] ]
-13.504851
[ -0.116, -0.116, -0.011, 2.61, -0.003 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.414865
6.791747
pbe
true
13854d6edf01ec6412105324b410cf28_123_Hg1Sb2Te1Os1
[ "Hg", "Pu", "Sm", "Sn" ]
4
ABCD
HgPuSmSn
Sm1 Pu1 Sn1 Hg1
4
[ 1, 1, 1 ]
3
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agm005210604
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Pu", "Sn", "Hg" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.1325583, 0, 0 ], [ 0, 5.1325583, 0 ], [ 0, 0, 4.8492937 ] ]
-24.943712
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5.782818
10.295366
pbe
true
54b601769e01d14c4912bcd4b2c7daa4_99_Sm1Pu1Sn1Hg1
[ "Hg", "Rb", "S", "U" ]
14
A8B3C2D
HgRb2S8U3
Rb2 U3 Hg1 S8
4
[ 1, 1, 1 ]
3
[ [ 8.0801263, -0.00007562, 0.001901 ], [ 4.03999838, 6.99765811, 0.0006477 ], [ 4.04200953, 2.33215698, 8.21009283 ] ]
agm004671150
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]
[ "Rb", "Rb", "U", "U", "U", "Hg", "S", "S", "S", "S", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.07142857142857142, 0.14285714285714285, 0.5714285714285714, 0.21428571428571427 ]
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-86.088298
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4.000008
16.779072
pbe
true
155027f28d49d0ac58966b93a7120be4_160_Rb2U3Hg1S8
[ "Hg", "Rb", "Se", "V" ]
14
A4BCD
HgRbSe4V
Rb2 V2 Hg2 Se8
4
[ 1, 1, 1 ]
3
[ [ 6.19742637, 0, -0.26489188 ], [ 0, 7.60830701, 0 ], [ -2.75315525, 0, 9.5404567 ] ]
agm005052938
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]
[ "Rb", "Rb", "V", "V", "Hg", "Hg", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]
[ [ 1.2753961, 0, 0.00803646 ], [ 0, 1.153286, 0 ], [ 0.0080365, 0, 1.1850978 ] ]
-57.218581
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-0.000001
0.00968
pbe
true
af08dcec7222cc1542940373bdd5b59a_11_Rb2V2Hg2Se8
[ "Ho", "In", "Li", "Tm" ]
20
A5B2C2D
Ho2In5Li2Tm
Li4 Ho4 Tm2 In10
4
[ 1, 1, 1 ]
3
[ [ 4.3968465, 0, 0 ], [ 0, 10.25591438, 0 ], [ 0, 0, 10.25591438 ] ]
agm005142809
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]
[ "Li", "Li", "Li", "Li", "Ho", "Ho", "Ho", "Ho", "Tm", "Tm", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.5, 0.2, 0.1 ]
[ [ 2.882039, 0, 0 ], [ 0, 3.0386965, 0 ], [ 0, 0, 3.0386965 ] ]
-69.440318
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-0.000023
10.67676
pbe
true
b62e5e2f7e9f2f36424031886f8327f1_127_Li4Ho4Tm2In10
[ "Ho", "La", "Nd", "Pr" ]
8
A4B2CD
Ho2LaNd4Pr
La1 Pr1 Nd4 Ho2
4
[ 1, 1, 1 ]
3
[ [ 3.66646773, -0.00000513, 0.00000569 ], [ 0.00002919, 6.29319449, -0.19569432 ], [ 0.00004819, 2.50767335, 11.90001199 ] ]
agm004865057
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "La", "Pr", "Nd", "Nd", "Nd", "Nd", "Ho", "Ho" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
[ [ 0.8317909, 0.00000269, 0.00000383 ], [ 0.00000269, 0.81540287, -0.00141777 ], [ 0.00000383, -0.00142031, 0.8349742 ] ]
-37.788715
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -3e-8, -0.00323944, -0.00476063 ], [ 3e-8, 0.00323944, 0.00476063 ], [ 1e-8, 0.00071445, 0.00366863 ], [ -1e-8, -0.00071445, -0.00366863 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000043
12.175241
pbe
true
b972411f0874ab3bc9c66d82f91b6671_10_La1Pr1Nd4Ho2
[ "Ho", "Mg", "Rh", "Sn" ]
8
A4B2CD
HoMg2Rh4Sn
Ho1 Mg2 Sn1 Rh4
4
[ 1, 1, 1 ]
3
[ [ 4.55660465, 0, 0 ], [ 2.27830232, 3.94613538, 0 ], [ 2.27830232, 1.31537846, 7.43840381 ] ]
agm004797272
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Ho", "Mg", "Mg", "Sn", "Rh", "Rh", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.5, 0.125 ]
[ [ 7.7368665, 0, 0 ], [ 0, 7.7368665, 0 ], [ 0, 0, 8.38951 ] ]
-46.856992
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00270921 ], [ 0, 0, -0.00270921 ], [ 0, 0, 0 ], [ 0, 0, -0.0061774 ], [ 0, 0, -0.00038339 ], [ 0, 0, 0.00038339 ], [ 0, 0, 0.0061774 ] ]
0
3.010368
pbe
true
72b85cfef36a8c8e61221e73820c0967_166_Ho1Mg2Sn1Rh4
[ "Ho", "Na", "O", "Sb" ]
16
A8B4C3D
Ho3Na4O8Sb
Na4 Ho3 Sb1 O8
4
[ 1, 1, 1 ]
3
[ [ 6.84200471, 0, 0 ], [ 0, 6.84338783, -0.00197551 ], [ -3.42100236, -3.41730144, 4.84143687 ] ]
agm004713509
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
[ "Na", "Na", "Na", "Na", "Ho", "Ho", "Ho", "Sb", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1875, 0.25, 0.5, 0.0625 ]
[ [ 0.6282422, 0, 0 ], [ 0, 0.6378174, -0.03734503 ], [ 0, -0.03734528, 0.6204718 ] ]
-101.843658
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
0
pbe
true
fffdc1a347dda0a9f44ac9ca7c55497d_166_Na4Ho3Sb1O8
[ "Ho", "Na", "O", "Tb" ]
8
A4B2CD
HoNa2O4Tb
Na2 Tb1 Ho1 O4
4
[ 1, 1, 1 ]
3
[ [ 3.42989689, 0, 0 ], [ 0, 5.93960883, 0.10265763 ], [ 0, -2.07598174, 5.54977173 ] ]
agm004812441
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[{"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": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]
[ "Na", "Na", "Tb", "Ho", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.5, 0.125 ]
[ [ 0.31994835, 0, 0 ], [ 0, 0.41300043, -0.00574854 ], [ 0, -0.00574858, 0.36112213 ] ]
-54.069305
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
0
pbe
true
361c7de80adc8e61b4c7d8e1cf5633e3_10_Na2Tb1Ho1O4
[ "Ho", "Nd", "Pa", "S" ]
8
A4B2CD
Ho2NdPaS4
Nd1 Ho2 Pa1 S4
4
[ 1, 1, 1 ]
3
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agm004830828
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2023-11-16 06:57:59
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606bcf5e5531ec958df97df3762def30_10_Nd1Ho2Pa1S4
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A5B2CD
Ho2NdPm5Tb
Tb2 Pm10 Nd2 Ho4
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2023-11-16 06:57:59
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f17c1e526ec993f353f561e3bda778d6_36_Tb2Pm10Nd2Ho4
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A6B2CD
Ho6Nd2SmTb
Tb2 Nd4 Sm2 Ho12
4
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2023-11-16 06:57:59
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835bbeeb39840dd60bc9237d6ea0bcf1_15_Tb2Nd4Sm2Ho12
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A9B3C2D
Ho3NiPt9Si2
Ho3 Si2 Ni1 Pt9
4
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agm004675377
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2023-11-16 06:57:59
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1dc7c963a3e20118f86509ef9720bac8_164_Ho3Si2Ni1Pt9
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A6B2C2D
Ho2O6Rb2Ru
Rb2 Ho2 Ru1 O6
4
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agm004580745
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[ "Rb", "Rb", "Ho", "Ho", "Ru", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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ed9015579ded72dc6702e44c69d1b7c3_12_Rb2Ho2Ru1O6
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A6B3C2D
Ho2Sm6Y3Zr
Sm6 Y3 Ho2 Zr1
4
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2023-11-16 06:57:59
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e0eab5f0628d2ba9d6ebad808fabacba_12_Sm6Y3Ho2Zr1
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HoTb2Te6Y3
Tb2 Y3 Ho1 Te6
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agm004601691
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2023-11-16 06:57:59
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pbe
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ef24ae20b4d790ae8cb3c96620950abe_12_Tb2Y3Ho1Te6
[ "I", "La", "Pb", "Sb" ]
8
A4B2CD
I2La4PbSb
La4 Sb1 Pb1 I2
4
[ 1, 1, 1 ]
3
[ [ 4.69031691, 0, 0 ], [ 0, 8.13926683, 0.14793733 ], [ 0, -2.83150083, 7.39676 ] ]
agm004842359
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[ "La", "La", "La", "La", "Sb", "Pb", "I", "I" ]
2023-11-16 06:57:59
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5.240563
pbe
true
b380e0076d6aa696404fc68c90fccaec_10_La4Sb1Pb1I2
[ "I", "La", "Pt", "Tc" ]
12
A6B3C2D
I3La6Pt2Tc
La6 Tc1 Pt2 I3
4
[ 1, 1, 1 ]
3
[ [ 7.42428, -0.00168967, 0.00079228 ], [ -3.71179652, 6.42981361, 0.00079228 ], [ -1.23772447, -2.14310618, 8.25708981 ] ]
agm004627691
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[ "La", "La", "La", "La", "La", "La", "Tc", "Pt", "Pt", "I", "I", "I" ]
2023-11-16 06:57:59
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-0
4.212454
pbe
true
664337cc6c189ae17dce48ade478ac2d_12_La6Tc1Pt2I3
[ "In", "Ir", "La", "Li" ]
5
A2BCD
InIrLa2Li
Li1 La2 In1 Ir1
4
[ 1, 1, 1 ]
3
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agm001625796
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[ "Ir", "In", "Li", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-24.985185
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-0.000067
4.937775
pbe
true
e2bff900d620e76e9b8348738f8b8fc6_123_Li1La2In1Ir1
[ "In", "K", "Li", "Sn" ]
4
ABCD
InKLiSn
K1 Li1 In1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 5.3867806, 0, 0 ], [ 2.6933903, 4.66508884, 0 ], [ 2.6933903, 1.55502961, 4.39828794 ] ]
agm001335641
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}]
[ "K", "Li", "Sn", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-10.139014
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0.000077
3.245459
pbe
true
c98f689fe92e13541f58cbf97e65d659_216_K1Li1In1Sn1
[ "In", "La", "O", "Tb" ]
5
A2BCD
InLaOTb2
La1 Tb2 In1 O1
4
[ 1, 1, 1 ]
3
[ [ 5.04225566, 0, 0 ], [ 0, 4.8490999, 0 ], [ 0, 0, 4.8490999 ] ]
agm005011346
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[ "La", "Tb", "Tb", "In", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
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-28.943311
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-0
1.772734
pbe
true
18b3ba2fee45bde78dbd02211e86b3cc_123_La1Tb2In1O1
[ "In", "La", "Sm", "Tl" ]
9
A3B3C2D
In2La3Sm3Tl
La3 Sm3 Tl1 In2
4
[ 1, 1, 1 ]
3
[ [ 3.8313624, 0, 0 ], [ 0, 9.30915205, 0 ], [ 0, -4.65457603, 8.06196217 ] ]
agm004504969
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "La", "La", "La", "Sm", "Sm", "Sm", "Tl", "In", "In" ]
2023-11-16 06:57:59
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-39.430327
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0.000029
8.67687
pbe
true
99ea3d03d91d7dca57c411b6fa77b622_189_La3Sm3Tl1In2
[ "In", "Li", "N", "Re" ]
8
A4B2CD
In2LiN4Re
Li1 In2 Re1 N4
4
[ 1, 1, 1 ]
3
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agm004873149
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[ "Li", "In", "In", "Re", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
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-53.077061
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0.000007
1.117012
pbe
true
41cf525030597136afcad2a0d337790b_121_Li1In2Re1N4
[ "In", "Li", "Ni", "Ti" ]
4
ABCD
InLiNiTi
Li1 Ti1 In1 Ni1
4
[ 1, 1, 1 ]
3
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agm001292483
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[ "Ni", "Ti", "Li", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-19.580952
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-0.000002
-0.080407
pbe
true
547dfbd0f81478b6b6ece5e32a2b6786_216_Li1Ti1In1Ni1
[ "In", "Lu", "Tb", "Tm" ]
4
ABCD
InLuTbTm
Tb1 Tm1 Lu1 In1
4
[ 1, 1, 1 ]
3
[ [ 5.39680051, 0, 0 ], [ 2.69840026, 4.67376634, 0 ], [ 2.69840026, 1.55792211, 4.40646917 ] ]
agm001405341
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[ "Tb", "Lu", "Tm", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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0.090516
6.02527
pbe
true
ab4b86bfec3e4c9bdaa0401e53923825_216_Tb1Tm1Lu1In1
[ "In", "Mg", "N", "W" ]
5
A2BCD
InMg2NW
Mg2 In1 W1 N1
4
[ 1, 1, 1 ]
3
[ [ 5.54841501, 0, 0 ], [ 0, 5.54841501, 0 ], [ 0, 0, 3.83590988 ] ]
agm001426351
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[ "Mg", "Mg", "N", "W", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-18.17262
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3.111572
1.881834
pbe
true
8dfe9be097007c163a3eb269375ada8e_123_Mg2In1W1N1
[ "In", "Mn", "O", "Zr" ]
10
A6B2CD
InMn2O6Zr
Zr1 Mn2 In1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.41110081, 0.07763593, -0.04519492 ], [ 2.77290011, 4.75794965, -0.0996726 ], [ 2.68798482, 1.53315791, 4.80439855 ] ]
agm004953385
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[ "Zr", "Mn", "Mn", "In", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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8.999999
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pbe
true
5cf61a6d2854b17d194787c2f2a0a70b_1_Zr1Mn2In1O6
[ "In", "Mn", "Pd", "Sc" ]
4
ABCD
InMnPdSc
Sc1 Mn1 In1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.66060944, 0, 0 ], [ 2.33030472, 4.03620617, 0 ], [ 2.33030472, 1.34540206, 3.80537167 ] ]
agm001920509
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Sc", "Mn", "Pd", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 6.2693152, 0, 0 ], [ 0, 6.2693152, 0 ], [ 0, 0, 6.2693152 ] ]
-24.833839
[ -0.018, 3.583, 0.168, -0.029 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.969662
5.140631
pbe
true
88f568d472a4506726da9af525adf8cd_216_Sc1Mn1In1Pd1
[ "In", "Mo", "N", "O" ]
5
A2BCD
InMoNO2
In1 Mo1 N1 O2
4
[ 1, 1, 1 ]
3
[ [ 3.92514267, 0, 0 ], [ 0, 3.92514267, 0 ], [ 0, 0, 4.27574573 ] ]
agm001750258
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mo", "N", "O", "O", "In" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 16.504429, 0, 0 ], [ 0, 16.504429, 0 ], [ 0, 0, -49.99907 ] ]
-30.890177
[ -1.13, 0.108, 0.061, 0.061, -0.014 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.915011
1.275956
pbe
true
c13b8b33d9d6327761ad0def30c4a6f4_123_In1Mo1N1O2
[ "In", "Nb", "Ni", "Rh" ]
4
ABCD
InNbNiRh
Nb1 In1 Ni1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.48418512, 0, 0 ], [ 2.24209256, 3.88341823, 0 ], [ 2.24209256, 1.29447274, 3.66132182 ] ]
agm001358364
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[{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Ni", "Nb", "Rh", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.7679656, 0, 0 ], [ 0, -2.7679656, 0 ], [ 0, 0, -2.7679656 ] ]
-26.928428
[ 0.001, 0.001, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.001825
5.034913
pbe
true
4514254bcf06192fb7aeacea3bf150f4_216_Nb1In1Ni1Rh1
[ "In", "Ni", "Pa", "Zn" ]
4
ABCD
InNiPaZn
Pa1 Zn1 In1 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.73974497, 0, 0 ], [ 2.36987249, 4.10473955, 0 ], [ 2.36987249, 1.36824652, 3.86998556 ] ]
agm001356111
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ni", "Zn", "Pa", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.4931338, 0, 0 ], [ 0, -2.4931338, 0 ], [ 0, 0, -2.4931338 ] ]
-19.99793
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000139
2.76016
pbe
true
81ccbacbf7ff80a91782da87334bb0f3_216_Pa1Zn1In1Ni1
[ "In", "Ni", "Rh", "Sc" ]
8
A4B2CD
InNi2RhSc4
Sc4 In1 Ni2 Rh1
4
[ 1, 1, 1 ]
3
[ [ 4.65970209, 0, 0 ], [ 2.32985105, 4.03542039, 0 ], [ 2.32985104, 1.34514013, 7.64369358 ] ]
agm004800648
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Sc", "Sc", "In", "Ni", "Ni", "Rh" ]
2023-11-16 06:57:59
[ 0.125, 0.25, 0.125, 0.5 ]
[ [ -2.2863953, 0, 0 ], [ 0, -2.2863953, 0 ], [ 0, 0, -1.74485 ] ]
-51.48703
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, -0.00085487 ], [ 0, 0, 0.00262626 ], [ 0, 0, -0.00262626 ], [ 0, 0, 0.00085487 ], [ 0, 0, 0 ], [ 0, 0, -0.00551704 ], [ 0, 0, 0.00551704 ], [ 0, 0, 0 ] ]
-0.000005
6.343475
pbe
true
b5529c0fcd946611849e7411c78a7190_166_Sc4In1Ni2Rh1
[ "In", "Ni", "Si", "Tm" ]
9
A3B3C2D
In3NiSi2Tm3
Tm3 In3 Si2 Ni1
4
[ 1, 1, 1 ]
3
[ [ 4.17180447, 0, 0 ], [ 0, 7.19069498, 0 ], [ 0, -3.59534749, 6.22732453 ] ]
agm002316140
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[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Ni", "Si", "Si", "Tm", "Tm", "Tm", "In", "In", "In" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.1111111111111111, 0.2222222222222222, 0.3333333333333333 ]
[ [ 2.4140275, 0, 0 ], [ 0, -2.6179132, 0 ], [ 0, 0, -2.6179132 ] ]
-42.969199
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00528886, -0.00916057 ], [ 0, -0.01057771, 0 ], [ 0, 0.00528886, 0.00916057 ], [ 0, 0.00441304, 0.00764362 ], [ 0, -0.00882609, 0 ], [ 0, 0.00441304, -0.00764362 ] ]
-0
6.090733
pbe
true
5fc8a1538b59c3802d4aa5063877cfc9_189_Tm3In3Si2Ni1
[ "Ir", "K", "Na", "O" ]
10
A6B2CD
IrK2NaO6
K2 Na1 Ir1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.97242916, 0, 0 ], [ 2.98621458, 5.17227537, 0 ], [ 2.98621458, 1.72409179, 4.87646799 ] ]
agm004935121
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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "K", "K", "Na", "Ir", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.2, 0.1, 0.6 ]
[ [ 0.99503374, 0, 0 ], [ 0, 0.99503374, 0 ], [ 0, 0, 0.99503374 ] ]
-52.269386
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00190586, 0.00134765 ], [ -0.00165052, 0.00095293, -0.00134765 ], [ -0.00165052, -0.00095293, 0.00134765 ], [ 0.00165052, 0.00095293, -0.00134765 ], [ 0, -0.00190586, -0.00134765 ], [ 0.00165052, -0.00095293, 0.00134765 ] ]
0
1.6127
pbe
true
2daeac5bf3385125548a112ed6748c5c_225_K2Na1Ir1O6
[ "In", "Tm", "Zn", "Zr" ]
4
ABCD
InTmZnZr
Tm1 Zr1 Zn1 In1
4
[ 1, 1, 1 ]
3
[ [ 4.9893255, 0, 0 ], [ 2.49466275, 4.32088263, 0 ], [ 2.49466275, 1.44029421, 4.07376721 ] ]
agm001370818
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"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"]}]
[ "Zn", "Tm", "Zr", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 2.6221824, 0, 0 ], [ 0, 2.6221824, 0 ], [ 0, 0, 2.6221824 ] ]
-18.096879
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000008
1.516756
pbe
true
b69d9d0aaca2f6b9844faac6cae624b5_216_Tm1Zr1Zn1In1
[ "Ir", "Mg", "Pd", "Sn" ]
4
ABCD
IrMgPdSn
Mg1 Sn1 Ir1 Pd1
4
[ 1, 1, 1 ]
3
[ [ 4.54844123, 0, 0 ], [ 2.27422062, 3.93906565, 0 ], [ 2.27422062, 1.31302188, 3.71378671 ] ]
agm001336017
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[{"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": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Mg", "Ir", "Sn", "Pd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 5.696027, 0, 0 ], [ 0, 5.696027, 0 ], [ 0, 0, 5.696027 ] ]
-21.601062
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000005
2.672794
pbe
true
22ce025c0fafa9d4e030af1abb7d0b7a_216_Mg1Sn1Ir1Pd1
[ "Ir", "Mn", "Os", "Pb" ]
5
A2BCD
IrMnOs2Pb
Mn1 Ir1 Os2 Pb1
4
[ 1, 1, 1 ]
3
[ [ 4.93595929, 0, 0 ], [ 0, 4.879792, 0 ], [ 0, 0, 4.93595929 ] ]
agm001526581
[ [ 0, 0, 0 ], [ 0, 2.439896, 0 ], [ 0, 0, 2.467979645 ], [ 2.467979645, 0, 0 ], [ 2.467979645, 2.439896, 2.467979645 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Pb", "Ir", "Os", "Os", "Mn" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 4.851456, 0, 0 ], [ 0, 5.639265, 0 ], [ 0, 0, 4.851456 ] ]
-27.44582
[ -0.029, 0.353, 1.183, 0.926, 0.384 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.883112
12.479527
pbe
true
beac2ddb100c2ea9df1d538a15009530_123_Mn1Ir1Os2Pb1
[ "Ir", "Mn", "Se", "Sr" ]
12
A8B2CD
IrMn2Se8Sr
Sr1 Mn2 Ir1 Se8
4
[ 1, 1, 1 ]
3
[ [ 6.116064, -0.00000268, 0 ], [ -3.05802968, 5.29666814, 0 ], [ 0, 0, 8.82697798 ] ]
agm004882517
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Mn", "Mn", "Ir", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.16666666666666666, 0.6666666666666666, 0.08333333333333333 ]
[ [ 0.62092483, -0.00000496, 0 ], [ 0.00000496, 0.62092483, 0 ], [ 0, 0, 0.6524491 ] ]
-61.699033
[ 0.005, 1.9, 1.9, -0.067, -0.118, -0.083, -0.083, -0.118, -0.083, -0.083, -0.083, -0.083 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00318393 ], [ 0, 0, -0.00318393 ], [ 0, 0, 0 ], [ 0, 0, 0.00281787 ], [ -0.00193578, -0.00135314, 0.0031301 ], [ 0.00213974, -0.00099986, 0.0031301 ], [ 0, 0, -0.00281787 ], [ -0.00213974, 0.00099986, -0.0031301 ], [ 0.00193578, 0.00135314, -0.0031301 ], [ 0.00020396, -0.002353, -0.0031301 ], [ -0.00020396, 0.002353, 0.0031301 ] ]
3.019401
3.307619
pbe
true
cb6670c4a23d439decf09fc752407f7d_147_Sr1Mn2Ir1Se8
[ "Ir", "Mn", "Si", "Tc" ]
4
ABCD
IrMnSiTc
Mn1 Si1 Tc1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 4.2194645, 0, 0 ], [ 2.10973225, 3.65416345, 0 ], [ 2.10973225, 1.21805448, 3.44517834 ] ]
agm001307016
[ [ 6.32919675, 3.6541634474999998, 2.583883755 ], [ 4.2194645, 2.436108965, 1.72258917 ], [ 0, 0, 0 ], [ 2.10973225, 1.2180544825, 0.861294585 ] ]
[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"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"]}]
[ "Si", "Ir", "Tc", "Mn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.8330014, 0, 0 ], [ 0, 3.8330014, 0 ], [ 0, 0, 3.8330014 ] ]
-35.595854
[ 0.031, 0.13, -0.196, 2.948 ]
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3.025864
2.057441
pbe
true
aef5fca8bae00ac3949a13db95518aea_216_Mn1Si1Tc1Ir1
[ "Ir", "N", "O", "Os" ]
5
A2BCD
IrNO2Os
Ir1 Os1 N1 O2
4
[ 1, 1, 1 ]
3
[ [ 4.00871363, 0, 0 ], [ 0, 4.00871363, 0 ], [ 0, 0, 3.7829874 ] ]
agm001750651
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[ "Ir", "Os", "O", "O", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-32.228142
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3.811294
3.769174
pbe
true
c109965ff6aa3becc8d2cf6277fa5e01_123_Ir1Os1N1O2
[ "Ir", "N", "Pt", "Se" ]
5
A2BCD
IrN2PtSe
Ir1 Pt1 Se1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.71435646, 0, 0 ], [ 0, 3.71435646, 0 ], [ 0, 0, 5.96320641 ] ]
agm001734327
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Ir", "Se", "Pt", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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0.438602
3.341454
pbe
true
60bc01a8df6b4d7d702a79cd1016a4d6_123_Ir1Pt1Se1N2
[ "Ir", "N", "S", "Te" ]
5
A2BCD
IrN2STe
Te1 Ir1 S1 N2
4
[ 1, 1, 1 ]
3
[ [ 3.57893368, 0, 0 ], [ 0, 3.57893368, 0 ], [ 0, 0, 7.73566064 ] ]
agm001739418
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "S", "Ir", "Te", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-24.130397
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0.423478
3.124938
pbe
true
6536501980fc95ad05908ba453b84b8e_123_Te1Ir1S1N2
[ "Ir", "Ni", "Pt", "Zn" ]
5
A2BCD
Ir2NiPtZn
Zn1 Ni1 Ir2 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.50493819, 0, 0 ], [ 0, 4.194588, 0 ], [ 0, 0, 4.50493819 ] ]
agm001543656
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[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Ni", "Zn", "Ir", "Ir", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-23.925466
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1.517122
9.874181
pbe
true
9999f2f8fc02c1bea94b90356d2bb2e2_123_Zn1Ni1Ir2Pt1
[ "Ir", "Pu", "Tb", "Tc" ]
4
ABCD
IrPuTbTc
Tb1 Pu1 Tc1 Ir1
4
[ 1, 1, 1 ]
3
[ [ 4.8254462, 0, 0 ], [ 2.4127231, 4.178959, 0 ], [ 2.4127231, 1.39298633, 3.93996033 ] ]
agm001385865
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Ir", "Tb", "Tc", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
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-39.250769
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3.920234
4.541716
pbe
true
9ae7a1759c7e99ce293d4b34c348f3bd_216_Tb1Pu1Tc1Ir1
[ "K", "La", "Pt", "Re" ]
5
A2BCD
KLa2PtRe
K1 La2 Re1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 5.58917837, 0, 0 ], [ 0, 5.05607098, 0 ], [ 0, 0, 5.58917837 ] ]
agm001497311
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Re", "K", "Pt", "La", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
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-28.41928
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0.000002
5.770182
pbe
true
1429d1ca3057bf36dae64955dcf68f6a_123_K1La2Re1Pt1
[ "K", "Li", "Np", "Se" ]
12
A6B3C2D
KLi3Np2Se6
K1 Li3 Np2 Se6
4
[ 1, 1, 1 ]
3
[ [ 4.1468763, 0, 0 ], [ 0, 9.42787408, 0.84295856 ], [ -2.07343815, -2.1213294, 8.07557526 ] ]
agm004604968
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]
[ "K", "Li", "Li", "Li", "Np", "Np", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.08333333333333333, 0.25, 0.16666666666666666, 0.5 ]
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-67.462023
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6.000001
14.412819
pbe
true
b8623cba4e5f0573c865fc3c0ecfec3d_12_K1Li3Np2Se6
[ "K", "Li", "P", "Pd" ]
5
A2BCD
KLiPPd2
K1 Li1 P1 Pd2
4
[ 1, 1, 1 ]
3
[ [ 4.65322078, 0, 0 ], [ 0, 4.65322078, 0 ], [ 0, 0, 4.840668 ] ]
agm001656646
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "K", "Pd", "Pd", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 4.1364326, 0, 0 ], [ 0, 4.1364326, 0 ], [ 0, 0, 3.6365516 ] ]
-20.647938
[ 0, 0, 0, 0, 0 ]
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0.000027
5.522859
pbe
true
1bb579d39c0cf380e1dfe033c371e6cf_123_K1Li1P1Pd2
[ "K", "Li", "Rh", "W" ]
5
A2BCD
K2LiRhW
K2 Li1 Rh1 W1
4
[ 1, 1, 1 ]
3
[ [ 5.35296778, 0, 0 ], [ 0, 4.62626851, 0 ], [ 0, 0, 5.35296778 ] ]
agm001581490
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "K", "K", "Rh", "W", "Li" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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4.188511
3.967131
pbe
true
4e183d63a7653f20c4c6cc8e26de4221_123_K2Li1Rh1W1
[ "K", "Mg", "Sr", "Zn" ]
5
A2BCD
KMgSr2Zn
K1 Sr2 Mg1 Zn1
4
[ 1, 1, 1 ]
3
[ [ 6.32366079, 0, 0 ], [ 0, 6.32366079, 0 ], [ 0, 0, 5.34810265 ] ]
agm001636874
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Mg", "Sr", "Sr", "Zn", "K" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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-7.070336
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-0.000001
4.497808
pbe
true
26b57c767dbd4f194070d135b26d16a0_123_K1Sr2Mg1Zn1
[ "K", "Nb", "O", "U" ]
20
A12B4C3D
K4NbO12U3
K4 U3 Nb1 O12
4
[ 1, 1, 1 ]
3
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agm004704282
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[{"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": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "K", "K", "K", "K", "U", "U", "U", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.2, 0.05, 0.6, 0.15 ]
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3.002359
2.705488
pbe
true
9b0dfaed1ddc6f6024bcef8fae71231e_229_K4U3Nb1O12
[ "K", "Ni", "O", "Re" ]
15
A9B3C2D
K3NiO9Re2
K3 Re2 Ni1 O9
4
[ 1, 1, 1 ]
3
[ [ 5.61329645, 0, 0 ], [ -2.80664822, 4.86125732, 0 ], [ 0, 0, 6.91578412 ] ]
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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agm004492624
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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"]}]
[ "K", "K", "Sm", "Ru", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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-0
6.341288
pbe
true
bd112c4a25a0c70a53a745986a4f3cdd_166_K2Sm1Ru3O12
[ "K", "Pa", "Te", "Y" ]
15
A8B3C3D
K3Pa3Te8Y
K3 Y1 Pa3 Te8
4
[ 1, 1, 1 ]
3
[ [ 8.77904181, 0.00002562, -0.0001231 ], [ -4.3894987, 7.60286459, -0.02743615 ], [ -0.00024702, -5.03734752, 8.57128836 ] ]
agm004686790
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[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"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"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "K", "K", "K", "Y", "Pa", "Pa", "Pa", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.5333333333333333, 0.06666666666666667 ]
[ [ 0.9824669, -0.00752135, 0.01214371 ], [ -0.00752139, 0.94074404, -0.03384596 ], [ 0.01214373, -0.03384587, 0.69118345 ] ]
-78.874297
[ 0.001, 0.001, 0.001, 0.085, 1.348, 1.348, 1.348, -0.034, -0.034, -0.028, -0.028, -0.028, -0.028, -0.028, -0.028 ]
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5.035977
20.195715
pbe
true
16a96165f366076d158d30603c32650e_166_K3Y1Pa3Te8
[ "K", "Sb", "Sc", "Te" ]
5
A2BCD
KSbScTe2
K1 Sc1 Sb1 Te2
4
[ 1, 1, 1 ]
3
[ [ 5.84013547, 0, 0 ], [ 0, 5.84013547, 0 ], [ 0, 0, 5.55462175 ] ]
agm001807031
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sb", "K", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.89410245, 0, 0 ], [ 0, 0.89410245, 0 ], [ 0, 0, 0.9084928 ] ]
-13.763625
[ -0.001, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.00044
4.891732
pbe
true
8c9fa4d6a05b2fb210d240767b9ff308_123_K1Sc1Sb1Te2
[ "K", "Sn", "Te", "Zn" ]
16
A4B2CD
K2SnTe4Zn
K4 Zn2 Sn2 Te8
4
[ 1, 1, 1 ]
3
[ [ 6.91324423, 0, 0 ], [ 3.45662212, 7.63794879, 0 ], [ 3.45662212, 0, 12.03379544 ] ]
agm004769086
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"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"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "K", "K", "K", "K", "Zn", "Zn", "Sn", "Sn", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
[ 0.25, 0.125, 0.5, 0.125 ]
[ [ 0.9469531, 0, 0 ], [ 0, 1.0204684, 0 ], [ 0, 0, 0.8737049 ] ]
-49.739452
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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0
-0.0409
pbe
true
67e25c5dc4b277d0cd8ab51b08c56ce0_70_K4Zn2Sn2Te8
[ "La", "Li", "Se", "Te" ]
8
ABCD
LaLiSeTe
Li2 La2 Te2 Se2
4
[ 1, 1, 1 ]
3
[ [ 4.80286336, 0, 0 ], [ 0, 4.80286336, 0 ], [ 0, 0, 9.70816432 ] ]
agm005190564
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "Li", "Li", "La", "La", "Te", "Te", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.36386564, 0, 0 ], [ 0, 0.36386564, 0 ], [ 0, 0, 0.3518201 ] ]
-38.519819
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00317973 ], [ 0, 0, 0.00317973 ], [ 0, 0, -0.00189205 ], [ 0, 0, 0.00189205 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
-0.000171
pbe
true
4a2464dbae4583400c411d8335d6b971_129_Li2La2Te2Se2
[ "La", "Mg", "Sm", "Tm" ]
20
A5B2C2D
La2Mg5SmTm2
La4 Sm2 Tm4 Mg10
4
[ 1, 1, 1 ]
3
[ [ 5.11916774, 0, 0 ], [ 0, 10.6665691, 0 ], [ 0, 0, 10.6665691 ] ]
agm005143984
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "La", "La", "La", "La", "Sm", "Sm", "Tm", "Tm", "Tm", "Tm", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg" ]
2023-11-16 06:57:59
[ 0.2, 0.5, 0.1, 0.2 ]
[ [ 0.35449922, 0, 0 ], [ 0, 0.4092441, 0 ], [ 0, 0, 0.4092441 ] ]
-62.873043
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000236
14.401782
pbe
true
23f840a446cb05cb5d4fe031cfb9b2a5_127_La4Sm2Tm4Mg10
[ "La", "N", "O", "Ta" ]
10
A2BCD
LaN2OTa
La2 Ta2 N4 O2
4
[ 1, 1, 1 ]
3
[ [ 5.69920406, -0.00751135, 0.00292161 ], [ -0.15794243, 5.69702426, 0.00291082 ], [ -2.77271909, -2.84691202, 4.12953312 ] ]
agm002223188
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "N", "N", "N", "N", "La", "La", "O", "O", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 0.41122362, -0.06578039, -0.0035267 ], [ -0.06578061, 0.42378798, -0.00380405 ], [ -0.00352614, -0.00380406, 0.557796 ] ]
-96.254854
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[ [ -0.00164465, 0.00140598, 0.00016951 ], [ -0.00170727, 0.00458123, 0.00057468 ], [ -0.00209026, 0.00216967, -0.00016911 ], [ -0.00393418, 0.00072659, -0.0005583 ], [ 0.00010758, -0.00025545, 0.00169042 ], [ 0.00017496, -0.00011916, -0.00171623 ], [ 0.0026396, -0.00272391, -0.00010459 ], [ 0.00048435, -0.00039663, 0.00010956 ], [ 0.00214107, -0.00275155, 0.00032521 ], [ 0.00382881, -0.00263675, -0.00032115 ] ]
0
0
pbe
true
8c67e71160d5205d0a2afd35d2bf3788_42_La2Ta2N4O2
[ "La", "Nd", "P", "Tb" ]
8
A4B2CD
LaNdP4Tb2
La1 Tb2 Nd1 P4
4
[ 1, 1, 1 ]
3
[ [ 4.12695878, -0.00000204, -0.0000013 ], [ 0.00004339, 7.14122002, -0.14129413 ], [ 0.00003877, 2.51191109, 6.68915122 ] ]
agm004845276
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "La", "Tb", "Tb", "Nd", "P", "P", "P", "P" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
[ [ 0.36296034, 0.00000157, 8.1e-7 ], [ 0.00000157, 0.30872738, -0.04148768 ], [ 8.1e-7, -0.04148566, 0.33845264 ] ]
-53.194109
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 2e-8, 0.00410315, -0.00014624 ], [ -2e-8, -0.00410315, 0.00014624 ], [ 0, -0.00012815, 0.00009007 ], [ 0, 0.00012815, -0.00009007 ] ]
0
0.763093
pbe
true
e4dd8f1bbfaf44e2b5f1e6b7ed156ecc_10_La1Tb2Nd1P4
[ "La", "O", "Pb", "Pu" ]
18
A6BCD
LaO6PbPu
La2 Pu2 Pb2 O12
4
[ 1, 1, 1 ]
3
[ [ 6.08562369, 0, 0 ], [ -3.04281185, 5.27030472, 0 ], [ 0, 0, 9.67253224 ] ]
agm005083425
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "La", "La", "Pu", "Pu", "Pb", "Pb", "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 ]
[ [ 0.442715, 0, 0 ], [ 0, 0.442715, 0 ], [ 0, 0, 0.97244096 ] ]
-148.352732
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1.993754
-0.318278
pbe
true
85eceeec20f642d4d9e3f70996474fc2_163_La2Pu2Pb2O12
[ "La", "O", "Sb", "Sr" ]
11
A4B3C2D2
La4O2Sb3Sr2
Sr2 La4 Sb3 O2
4
[ 1, 1, 1 ]
3
[ [ 4.93214407, 0, 0 ], [ 0, 4.93214407, 0 ], [ -2.46607204, -2.46607203, 13.25707043 ] ]
agm004489588
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Sr", "Sr", "La", "La", "La", "La", "Sb", "Sb", "Sb", "O", "O" ]
2023-11-16 06:57:59
[ 0.36363636363636365, 0.18181818181818182, 0.2727272727272727, 0.18181818181818182 ]
[ [ 0.20597816, 0, 0 ], [ 0, 0.20597816, 0 ], [ 0, 0, 0.22119889 ] ]
-64.746088
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000021
2.794422
pbe
true
c63791b6dcf860bb3bf4d9deb9dc7add_139_Sr2La4Sb3O2
[ "La", "O", "Sb", "Tl" ]
11
A6B2C2D
La2O6SbTl2
La2 Tl2 Sb1 O6
4
[ 1, 1, 1 ]
3
[ [ 6.2379638, 0.00731227, 0.12066691 ], [ -3.07680164, 5.42637425, 0.12066691 ], [ -1.06553126, -1.83152984, 6.44441488 ] ]
agm004582325
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "La", "La", "Tl", "Tl", "Sb", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.18181818181818182, 0.5454545454545454, 0.09090909090909091, 0.18181818181818182 ]
[ [ 0.23523365, -0.0199524, 0.01789175 ], [ -0.0199524, 0.21254542, 0.03075394 ], [ 0.01789176, 0.03075395, 0.4074692 ] ]
-69.933784
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.0002369, 0.00013782, 0 ], [ 0.0002369, -0.00013782, 0 ], [ 0.00217725, -0.00126666, 0 ], [ -0.00217725, 0.00126666, 0 ], [ 0, 0, 0 ], [ -0.00251494, -0.0043229, 0.00009653 ], [ -0.00029494, 0.00112963, -0.00019813 ], [ 0.00251494, 0.0043229, -0.00009653 ], [ 0.00112778, 0.00030193, -0.00019813 ], [ 0.00029494, -0.00112963, 0.00019813 ], [ -0.00112778, -0.00030193, 0.00019813 ] ]
0.000001
5.162881
pbe
true
dfa9640eb68e41be5800821a92a092f7_12_La2Tl2Sb1O6
[ "La", "S", "Tl", "U" ]
8
A4B2CD
LaS4Tl2U
La1 U1 Tl2 S4
4
[ 1, 1, 1 ]
3
[ [ 4.15868989, 0, 0 ], [ 0, 7.23783365, 0.13071649 ], [ 0, -2.53525869, 7.46911045 ] ]
agm004829269
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "La", "U", "Tl", "Tl", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.5, 0.25, 0.125 ]
[ [ 1.6912773, 0, 0 ], [ 0, 1.5925815, -0.03973613 ], [ 0, -0.03973606, 1.3077446 ] ]
-47.446938
[ 0.089, 2.542, 0.013, 0.013, -0.021, -0.021, -0.043, -0.043 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00029955, -0.00265726 ], [ 0, -0.00029955, 0.00265726 ], [ 0, -0.00194091, 0.00326364 ], [ 0, 0.00194091, -0.00326364 ] ]
3.00802
6.489318
pbe
true
724d80692df78cfae22d0d15e70cadf2_10_La1U1Tl2S4
[ "La", "Sm", "Tb", "Tl" ]
8
A4B2CD
LaSmTb2Tl4
La1 Tb2 Sm1 Tl4
4
[ 1, 1, 1 ]
3
[ [ 5.46829323, 0, 0 ], [ 2.73414661, 4.73568085, 0 ], [ 2.73414661, 1.57856028, 8.94991226 ] ]
agm004807530
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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]
[ "La", "Tb", "Tb", "Sm", "Tl", "Tl", "Tl", "Tl" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.25, 0.5 ]
[ [ 2.621234, 0, 0 ], [ 0, 2.621234, 0 ], [ 0, 0, 2.5754037 ] ]
-31.353315
[ 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00288705 ], [ 0, 0, 0.00288705 ], [ 0, 0, 0 ], [ 0, 0, -0.00398367 ], [ 0, 0, 0.00149453 ], [ 0, 0, -0.00149453 ], [ 0, 0, 0.00398367 ] ]
0.000016
6.814118
pbe
true
800dd3c4207f431f385d2b96837ef172_166_La1Tb2Sm1Tl4
[ "Li", "Lu", "Pd", "Zr" ]
4
ABCD
LiLuPdZr
Li1 Lu1 Pd1 Zr1
4
[ 1, 1, 1 ]
3
[ [ 0, 3.406024, 3.406024 ], [ 3.406024, 0, 3.406024 ], [ 3.406024, 3.406024, 0 ] ]
oqmd-2880409
[ [ 5.109040000000001, 5.109040000000001, 5.109040000000001 ], [ 3.406019999999999, 3.406019999999999, 3.406019999999999 ], [ 1.7030100000000028, 1.7030100000000028, 1.7030100000000028 ], [ 0, 0, 0 ] ]
[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]
[ "Li", "Lu", "Pd", "Zr" ]
2024-11-01 00:00:00
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 7.8577, 0, 0 ], [ 0, 7.8577, 0 ], [ 0, 0, 7.8577 ] ]
-21.2806
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000384
null
pbe
true
439d49b4d020cc4b0042a08295f337fd_216_Li1Lu1Zr1Pd1
[ "Li", "Mg", "O", "Pt" ]
12
A6B3C2D
Li3Mg2O6Pt
Li3 Mg2 Pt1 O6
4
[ 1, 1, 1 ]
3
[ [ 5.22288772, -0.00242639, -0.00231648 ], [ -2.6122743, 4.52267454, -0.00231648 ], [ -0.87330712, -1.51212158, 4.87481621 ] ]
agm004623676
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Li", "Li", "Li", "Mg", "Mg", "Pt", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.25, 0.16666666666666666, 0.5, 0.08333333333333333 ]
[ [ 0.7154309, -0.01488803, 0.13595 ], [ -0.01488803, 0.6982509, 0.23539591 ], [ 0.13594995, 0.23539582, 0.9345818 ] ]
-66.555689
[ 0.001, 0.001, 0.002, 0.001, 0.001, 0.268, 0.057, 0.058, 0.057, 0.057, 0.058, 0.057 ]
[ [ 0.0015343, -0.00088612, 0 ], [ -0.0015343, 0.00088612, 0 ], [ 0, 0, 0 ], [ 0.0075017, -0.00433252, 0 ], [ -0.0075017, 0.00433252, 0 ], [ 0, 0, 0 ], [ 0.00081773, 0.00057438, 0.00106073 ], [ -0.00086228, -0.00149304, -0.00332387 ], [ -0.00081773, -0.00057438, -0.00106073 ], [ 0.00008884, 0.00099534, 0.00106073 ], [ 0.00086228, 0.00149304, 0.00332387 ], [ -0.00008884, -0.00099534, -0.00106073 ] ]
0.689598
7.965182
pbe
true
786615706b606e645b11f9e182ab2e30_12_Li3Mg2Pt1O6
[ "Li", "Mn", "O", "P" ]
5
A2BCD
LiMnOP2
Li1 Mn1 P2 O1
4
[ 1, 1, 1 ]
3
[ [ 4.72843575, 0, 0 ], [ 0, 4.72843575, 0 ], [ 0, 0, 3.45752076 ] ]
agm001761481
[ [ 0, 2.364217875, 0 ], [ 2.364217875, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 1.72876038 ], [ 2.364217875, 2.364217875, 1.72876038 ] ]
[{"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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "P", "P", "Mn", "O", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.2, 0.4 ]
[ [ 0.5223528, 0, 0 ], [ 0, 0.5223528, 0 ], [ 0, 0, 0.4709815 ] ]
-23.420001
[ 0.063, 0.063, -0.347, 0.086, 0.008 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.020305
3.636072
pbe
true
3e779174c9795a60576eb241a0678b82_123_Li1Mn1P2O1
[ "Li", "Mn", "Pt", "Zr" ]
4
ABCD
LiMnPtZr
Li1 Zr1 Mn1 Pt1
4
[ 1, 1, 1 ]
3
[ [ 4.54635492, 0, 0 ], [ 2.27317746, 3.93725886, 0 ], [ 2.27317746, 1.31241962, 3.71208325 ] ]
agm001909816
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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Mn", "Zr", "Pt", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 4.017254, 0, 0 ], [ 0, 4.017254, 0 ], [ 0, 0, 4.017254 ] ]
-27.106875
[ 3.908, -0.037, 0.237, 0.005 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.365498
4.339503
pbe
true
2744480b69b99e161a700d59f42ca712_216_Li1Zr1Mn1Pt1
[ "Li", "Mn", "S", "Zn" ]
8
A4B2CD
LiMnS4Zn2
Li1 Mn1 Zn2 S4
4
[ 1, 1, 1 ]
3
[ [ 5.40203474, 0.22424092, -0.0005367 ], [ -0.22462713, 5.4020187, -0.0005367 ], [ -2.58922144, -2.81369232, 5.52761092 ] ]
agm004872996
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[ "Li", "Mn", "Zn", "Zn", "S", "S", "S", "S" ]
2023-11-16 06:57:59
[ 0.125, 0.125, 0.5, 0.25 ]
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-36.248004
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3.999997
3.70997
pbe
true
37a20df29072b5b1dfed8d4bcff258dd_121_Li1Mn1Zn2S4
[ "Li", "N", "P", "Pm" ]
10
A2BCD
Li2NPPm
Li4 Pm2 P2 N2
4
[ 1, 1, 1 ]
3
[ [ 5.87205431, 0, 0 ], [ 0, 5.87205431, 0 ], [ -2.93602715, -2.93602715, 4.66543635 ] ]
agm005005279
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[ "Li", "Li", "Li", "Li", "Pm", "Pm", "P", "P", "N", "N" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
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-52.069707
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-0.00152
7.525016
pbe
true
20af9d19477606aa38f6c90b13432156_140_Li4Pm2P2N2
[ "Li", "Na", "O", "Pu" ]
10
A6B2CD
LiNaO6Pu2
Na1 Li1 Pu2 O6
4
[ 1, 1, 1 ]
3
[ [ 5.56837403, 0, 0 ], [ 0, 4.9978399, 0 ], [ 0, 0, 4.9978399 ] ]
agm004986258
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Na", "Li", "Pu", "Pu", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.1, 0.1, 0.6, 0.2 ]
[ [ 0.97620904, 0, 0 ], [ 0, 0.9135706, 0 ], [ 0, 0, 0.9135706 ] ]
-82.338226
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5.999998
5.916921
pbe
true
13fdeb0697d7db0852e7e65528413193_99_Na1Li1Pu2O6
[ "Li", "Na", "Rb", "Rh" ]
5
A2BCD
LiNaRb2Rh
Rb2 Na1 Li1 Rh1
4
[ 1, 1, 1 ]
3
[ [ 6.51054232, 0, 0 ], [ 0, 4.90388515, 0 ], [ 0, 0, 6.51054232 ] ]
agm001435203
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[{"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Na", "Rh", "Rb", "Rb", "Li" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
[ [ 1.9711133, 0, 0 ], [ 0, 0.71366286, 0 ], [ 0, 0, 1.9711133 ] ]
-10.20324
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000226
7.466137
pbe
true
712f29def8cea279e62c47c2dd068433_123_Rb2Na1Li1Rh1
[ "Li", "Nd", "Np", "Se" ]
12
A6B3C2D
Li3NdNp2Se6
Li3 Nd1 Np2 Se6
4
[ 1, 1, 1 ]
3
[ [ 7.16131144, -0.00040886, -0.00046589 ], [ -3.57926685, 6.20267931, -0.00046589 ], [ -1.19512654, -2.06934833, 6.49680914 ] ]
agm004605008
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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"]}]
[ "Li", "Li", "Li", "Nd", "Np", "Np", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.08333333333333333, 0.16666666666666666, 0.5 ]
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-73.393812
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8.000288
21.85336
pbe
true
d617845bc6a1f6728428da85387b1c29_12_Li3Nd1Np2Se6
[ "Li", "Ni", "Pb", "Tb" ]
4
ABCD
LiNiPbTb
Li1 Tb1 Ni1 Pb1
4
[ 1, 1, 1 ]
3
[ [ 4.71388895, 0, 0 ], [ 2.35694448, 4.08234758, 0 ], [ 2.35694448, 1.36078253, 3.84887421 ] ]
agm001356999
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[{"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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]
[ "Pb", "Ni", "Tb", "Li" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ -2.1976752, 0, 0 ], [ 0, -2.1976752, 0 ], [ 0, 0, -2.1976752 ] ]
-17.658894
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
0.108705
pbe
true
32f4e28fe1317388727c445acc271581_216_Li1Tb1Ni1Pb1
[ "Li", "O", "Os", "Tc" ]
12
A6B4CD
Li4O6OsTc
Li4 O6 Os1 Tc1
4
[ 1, 1, 1 ]
3
[ [ -2.562706, -4.211994, -0.010871 ], [ -2.562706, 4.211994, -0.010871 ], [ 1.71535, 0, -4.889793 ] ]
oqmd-2008993
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]
[ "Li", "Li", "Li", "Li", "O", "O", "O", "O", "O", "O", "Os", "Tc" ]
2024-11-01 00:00:00
[ 0.3333333333333333, 0.5, 0.08333333333333333, 0.08333333333333333 ]
[ [ 3.82434, 0, -0.1177 ], [ 0, 2.53014, 0 ], [ -0.1177, 0, 3.96414 ] ]
-78.2066
[ 0, -0.001, 0, 0.001, 0.045, -0.013, 0.004, 0.001, -0.01, 0.043, -0.244, 1.104 ]
[ [ 0, -0.003987, 0 ], [ 0, 0.016324, 0 ], [ 0, -0.007361, 0 ], [ 0, 0.005692, 0 ], [ 0.026028, 0.055458, -0.047566 ], [ 0.028436, -0.032372, -0.043667 ], [ 0.005267, -0.006138, 0.038349 ], [ -0.005267, -0.006138, -0.038349 ], [ -0.028436, -0.032372, 0.043667 ], [ -0.026028, 0.055458, 0.047566 ], [ 0, 0.047656, 0 ], [ 0, -0.092221, 0 ] ]
1.0036
null
pbe
true
47585686d871b9a30f99cb7a56de0575_5_Li4Tc1Os1O6
[ "Li", "O", "Pr", "Se" ]
20
A12B4C3D
Li3O12PrSe4
Li3 Pr1 Se4 O12
4
[ 1, 1, 1 ]
3
[ [ 6.76991461, -0.11518237, -0.16001977 ], [ -1.74295482, 6.54271498, -0.16001977 ], [ -1.74295482, -2.22856346, 6.1535543 ] ]
agm004707414
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"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"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Li", "Li", "Li", "Pr", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
[ 0.15, 0.6, 0.05, 0.2 ]
[ [ 0.78707, 0.07995566, 0.11108025 ], [ 0.07995566, 0.8267691, 0.14202857 ], [ 0.11108025, 0.14202857, 0.9218533 ] ]
-105.281403
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0
4.367411
pbe
true
537bdd05acb12a455743f57a83e743f8_155_Li3Pr1Se4O12
[ "Li", "O", "Pb", "Rh" ]
5
A2BCD
Li2OPbRh
Li2 Rh1 Pb1 O1
4
[ 1, 1, 1 ]
3
[ [ 3.82216906, 0, 0 ], [ 0, 5.17940022, 0 ], [ 0, 0, 3.82216906 ] ]
agm001433216
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Pb", "Rh", "O", "Li", "Li" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.2, 0.2 ]
[ [ 0.9819161, 0, 0 ], [ 0, 0.2567172, 0 ], [ 0, 0, 0.9819161 ] ]
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