LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Lu", "Nd", "Y" ]

4

A2BC

Lu2NdY

Nd1 Y1 Lu2

3

[ 1, 1, 1 ]

3

[ [ 4.06054299, 0, 0 ], [ 0, 4.06054299, 0 ], [ 0, 0, 7.7348885 ] ]

agm001124464

[ [ 2.030271495, 2.030271495, 3.86744425 ], [ 0, 0, 5.757622897538135 ], [ 0, 0, 1.9772656024618651 ], [ 2.030271495, 2.030271495, 0 ] ]

[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Lu", "Lu", "Nd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.0059779, 0, 0 ], [ 0, 1.0059779, 0 ], [ 0, 0, 0.8093745 ] ]

-19.898486

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00517045 ], [ 0, 0, 0.00517045 ], [ 0, 0, 0 ] ]

0.001325

5.987011

pbe

true

4877260ee80dc2637793943983c124bd_123_Nd1Y1Lu2

[ "K", "Na", "Pu", "Se" ]

12

A3BCD

KNaPuSe3

K1 Na1 Pu1 Se3

4

[ 1, 1, 1 ]

3

[ [ 2.188587986, -7.307068406, 0 ], [ 2.188587986, 7.307068406, 0 ], [ 0, 0, 11.262704498 ] ]

oqmd-9250589

[ [ 2.18859, -4.062430000000001, 2.81568 ], [ 2.18859, 4.06243, 8.447030000000002 ], [ 2.18859, 6.433540000000001, 2.81568 ], [ 2.1885900000000005, -6.433540000000002, 8.447030000000002 ], [ 2.18859, -2.1508841573792384e-16, 0 ], [ 2.18859, -2.1508841573792384e-16, 5.631350000000001 ], [ 2.18859, 5.47326, 0.26216000000000006 ], [ 2.18859, 0.76605, 2.81568 ], [ 2.18859, 5.47326, 5.369200000000001 ], [ 2.18859, -5.47326, 5.893510000000001 ], [ 2.18859, -0.7660500000000006, 8.447030000000002 ], [ 2.18859, -5.47326, 11.000550000000002 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "K", "K", "Na", "Na", "Pu", "Pu", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 4.26995549, 0, 0 ], [ 0, 4.29530269, 0 ], [ 0, 0, 3.65656872 ] ]

-68.3387

[ -0.002, -0.002, -0.001, -0.001, 4.726, 4.728, -0.19, -0.142, -0.19, -0.19, -0.142, -0.19 ]

[ [ 0, -0.023386, 0 ], [ 0, 0.023386, 0 ], [ 0, 0.011868, 0 ], [ 0, -0.011868, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.02218, 0.014923 ], [ 0, -0.003535, 0 ], [ 0, 0.02218, -0.014923 ], [ 0, -0.02218, 0.014923 ], [ 0, 0.003535, 0 ], [ 0, -0.02218, -0.014923 ] ]

8.00011

null

pbe

true

c38bd8aee356b2b784399a619cc8fd7c_63_K2Na2Pu2Se6

[ "Gd", "Hg", "Sn" ]

4

A2BC

Gd2HgSn

Gd2 Sn1 Hg1

3

[ 1, 1, 1 ]

3

[ [ 4.11268489, 0, 0 ], [ 0, 5.10489135, 0 ], [ 0, 0, 5.10489135 ] ]

agm001226136

[ [ 0, 0, 2.552445675 ], [ 0, 2.552445675, 0 ], [ 2.056342445, 2.552445675, 2.552445675 ], [ 2.056342445, 0, 0 ] ]

[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}]

[ "Gd", "Gd", "Hg", "Sn" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.8027015, 0, 0 ], [ 0, 4.3086114, 0 ], [ 0, 0, 4.3086114 ] ]

-34.957381

[ 7.186, 7.186, 0, -0.076 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

14.778563

2.818017

pbe

true

ea0e83370874b6077bc0e5ccf1fcd7cf_123_Gd2Sn1Hg1

[ "Ge", "K", "Se" ]

4

A2BC

Ge2KSe

K1 Ge2 Se1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.65709792, 3.65709792 ], [ 3.65709792, 0, 3.65709792 ], [ 3.65709792, 3.65709792, 0 ] ]

agm002688690

[ [ 1.82854896, 1.82854896, 1.82854896 ], [ 5.48564688, 5.48564688, 5.48564688 ], [ 0, 0, 0 ], [ 3.65709792, 3.65709792, 3.65709792 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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"]}]

[ "Ge", "Ge", "K", "Se" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.587363, 0, 0 ], [ 0, 1.587363, 0 ], [ 0, 0, 1.587363 ] ]

-12.377484

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

1.756015

pbe

true

0920c7fdae788bbbc164c15fca41151a_225_K1Ge2Se1

[ "Ge", "K", "V" ]

4

A2BC

Ge2KV

K1 V1 Ge2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.45397911, 3.45397911 ], [ 3.45397911, 0, 3.45397911 ], [ 3.45397911, 3.45397911, 0 ] ]

agm002689901

[ [ 1.726989555, 1.726989555, 1.726989555 ], [ 5.180968665, 5.180968665, 5.180968665 ], [ 0, 0, 0 ], [ 3.45397911, 3.45397911, 3.45397911 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Ge", "Ge", "K", "V" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 4.3837337, 0, 0 ], [ 0, 4.3837337, 0 ], [ 0, 0, 4.3837337 ] ]

-17.325558

[ -0.011, -0.011, 0.007, 2.541 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.078754

3.616201

pbe

true

3ef35e749bf5e587a9ca6f079f496e05_225_K1V1Ge2

[ "Lu", "P", "Pd" ]

12

ABC

LuPPd

Lu1 P1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 6.8080778, 0, 0 ], [ 0, 3.943222361, 0 ], [ 0, 0, 7.706908729 ] ]

oqmd-5629179

[ [ 3.633829999999998, 0.9858099999999984, 1.4348399999999968 ], [ 0.22979000000000005, 0.9858099999999984, 2.418609999999997 ], [ 6.578290000000003, 2.957420000000001, 5.2883 ], [ 3.17425, 2.957420000000001, 6.272070000000001 ], [ 1.7293000000000005, 2.957420000000001, 0.9609299999999972 ], [ 5.133340000000003, 2.957420000000001, 2.8925199999999966 ], [ 1.6747400000000017, 0.9858099999999984, 4.814390000000001 ], [ 5.0787799999999965, 0.9858099999999984, 6.74598 ], [ 5.8092200000000025, 2.957420000000001, 0.47043999999999975 ], [ 2.405180000000001, 2.957420000000001, 3.383009999999999 ], [ 4.402899999999997, 0.9858099999999984, 4.323899999999998 ], [ 0.9988600000000016, 0.9858099999999984, 7.236470000000002 ] ]

[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Lu", "Lu", "Lu", "Lu", "P", "P", "P", "P", "Pd", "Pd", "Pd", "Pd" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 0.92657657, 0, 0 ], [ 0, 0.5301885, 0 ], [ 0, 0, 0.90889489 ] ]

-75.6185

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00147, 0, 0.006004 ], [ -0.00147, 0, -0.006004 ], [ 0.00147, 0, 0.006004 ], [ 0.00147, 0, -0.006004 ], [ -0.01472, 0, -0.002319 ], [ -0.01472, 0, 0.002319 ], [ 0.01472, 0, -0.002319 ], [ 0.01472, 0, 0.002319 ], [ 0.002167, 0, 0.006233 ], [ 0.002167, 0, -0.006233 ], [ -0.002167, 0, 0.006233 ], [ -0.002167, 0, -0.006233 ] ]

0.000595

null

pbe

true

a7532c1a22036d09b65f251951a9b08b_62_Lu4P4Pd4

[ "K", "Na", "Te", "Zr" ]

12

A3BCD

KNaTe3Zr

K1 Na1 Te3 Zr1

4

[ 1, 1, 1 ]

3

[ [ 2.157424515, -7.776828936, 0 ], [ 2.157424515, 7.776828936, 0 ], [ 0, 0, 11.629960167 ] ]

oqmd-8724160

[ [ 2.15742, -3.982110000000001, 2.90749 ], [ 2.15742, 3.98211, 8.72247 ], [ 2.1574199999999997, 6.935549999999999, 2.90749 ], [ 2.1574199999999997, -6.935549999999999, 8.72247 ], [ 2.15742, 5.74058, 0.30243 ], [ 2.15742, 1.0347200000000008, 2.90749 ], [ 2.15742, 5.74058, 5.512549999999999 ], [ 2.15742, -5.74058, 6.11741 ], [ 2.15742, -1.0347200000000003, 8.72247 ], [ 2.15742, -5.74058, 11.32753 ], [ 2.15742, -1.0163749802379741e-16, 0 ], [ 2.15742, -1.0163749802379741e-16, 5.81498 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "K", "K", "Na", "Na", "Te", "Te", "Te", "Te", "Te", "Te", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 3.38867965, 0, 0 ], [ 0, 4.94009891, 0 ], [ 0, 0, 4.32331744 ] ]

-50.8223

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -0.001, -0.001 ]

[ [ 0, -0.025588, 0 ], [ 0, 0.025588, 0 ], [ 0, -0.024882, 0 ], [ 0, 0.024882, 0 ], [ 0, 0.052428, -0.021998 ], [ 0, -0.011445, 0 ], [ 0, 0.052428, 0.021998 ], [ 0, -0.052428, -0.021998 ], [ 0, 0.011445, 0 ], [ 0, -0.052428, 0.021998 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.004083

null

pbe

true

f1413d0f6f884fc5a8256c43caa3725a_63_K2Na2Zr2Te6

[ "Cr", "Zn" ]

4

A3B

CrZn3

Zn3 Cr1

2

[ 1, 1, 1 ]

3

[ [ 5.10345539, 0, 0 ], [ 0, 5.10345539, 0 ], [ 0, 0, 5.10345539 ] ]

agm003939065

[ [ 0, 0, 0 ], [ 0, 0, 2.551727695 ], [ 0, 2.551727695, 0 ], [ 2.551727695, 0, 0 ] ]

[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Cr", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 2.9667625, 0, 0 ], [ 0, 2.9667625, 0 ], [ 0, 0, 2.9667625 ] ]

-9.945738

[ 3.809, 0.072, 0.072, 0.072 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.933334

2.84425

pbe

true

9930cc84d7e0ae864b13b651a5049149_221_Zn3Cr1

[ "K", "Nb", "O", "P" ]

60

A9B3C2D

K3NbO9P2

K12 Nb4 O36 P8

4

[ 1, 1, 1 ]

3

[ [ 5.29441029, 0.01868948, 0 ], [ -0.04829806, 9.94005977, 0 ], [ 0, 0, 17.93559066 ] ]

mp-554572

[ [ 1.2869540076070356, 0.7651838322421777, 15.479095574601452 ], [ 1.2628049776070358, 5.7352137172421775, 11.424290415398547 ], [ 3.970139271467906, 0.4307543316745318, 7.649145415493969 ], [ 3.9833072523929642, 4.223535532757822, 6.511300244601453 ], [ 3.9591582223929644, 9.193565417757823, 2.4564950853985463 ], [ 3.919592187629655, 9.532273486235006, 12.64288807225502 ], [ 1.3023710123703447, 5.396505648764993, 3.6750927422550195 ], [ 1.3265200423703445, 0.4264757637649933, 5.29270258774498 ], [ 3.9437412176296553, 4.562243601235006, 14.260497917744978 ], [ 3.945990241467906, 5.4007842166745315, 1.3186499145060304 ], [ 1.2759729585320942, 9.527994918325467, 10.28644524450603 ], [ 1.3001219885320943, 4.557965033325468, 16.616940745493967 ], [ 1.2155611026859332, 6.8210505994018815, 7.367283303730311 ], [ 4.030551127314067, 3.1376986505981184, 10.568307356269688 ], [ 4.006402097314067, 8.107728535598119, 16.33507863373031 ], [ 1.2397101326859332, 1.8510207144018813, 1.600512026269689 ], [ 1.3392353722290768, 2.627946865926815, 12.75101116634567 ], [ 3.931025887770923, 2.3607724990731844, 3.7832158363456703 ], [ 3.8929827981256, 1.712114919291968, 17.237834843605942 ], [ 1.3772784618744003, 3.276604445708032, 8.270039513605942 ], [ 1.3150863422290768, 7.597976750926815, 14.152374823654329 ], [ 1.3531294318744003, 8.246634330708032, 0.6977558163940571 ], [ 3.906876857770923, 7.330802384073184, 5.184579493654329 ], [ 3.8688337681256, 6.682144804291967, 9.665551146394057 ], [ 1.1531267357149138, 8.595146892395178, 7.5249846749469596 ], [ 1.3073628559420036, 4.419155000169267, 7.230108139888592 ], [ 1.3303434368097267, 1.125738635116936, 12.536578445736 ], [ 3.9157687931902734, 8.833010614883063, 5.399012214263998 ], [ 1.1663875860750301, 6.853171332015699, 1.2731492939165832 ], [ 0.2763926975247571, 8.534153425175287, 17.521136107164157 ], [ 3.9387493740579966, 5.539594249830732, 10.705482520111406 ], [ 1.1772757657149138, 3.6251170073951777, 1.44281065505304 ], [ 2.5081496127756093, 3.3090708520894565, 11.890203612685179 ], [ 3.790079990156815, 1.904708634887573, 5.225803731362713 ], [ 1.456032239843185, 8.054040615112427, 12.709786928637287 ], [ 0.30054172752475705, 3.564123540175288, 9.382249882835842 ], [ 2.4840005827756095, 8.279100737089458, 15.01318237731482 ], [ 1.2832138259420036, 9.389184885169266, 1.7376871901114075 ], [ 4.969719532475242, 1.4245958248247117, 0.4144545528358404 ], [ 2.467900788067042, 6.566401672245959, 8.95097963762081 ], [ 4.068836464285085, 6.333632242604821, 16.492780004946958 ], [ 0.0176848062294002, 3.302227796284911, 12.15375761157083 ], [ 3.9628984040579964, 0.5695643648307323, 16.197903469888594 ], [ 3.7659309601568154, 6.874738519887573, 3.7419915986372865 ], [ 1.1905366160750301, 1.8831414470156995, 7.694646036083417 ], [ 5.2284274237706, 6.656521453715089, 5.78183304842917 ], [ 1.480181269843185, 3.0840107301124267, 14.193599061362711 ], [ -0.006464223770599794, 8.272257681284911, 14.749628378429168 ], [ 2.7621116472243905, 1.679648512910543, 2.922408282685179 ], [ 1.3061944068097266, 6.095768520116936, 14.366807544263999 ], [ 4.07972464392497, 3.1055779179843004, 16.662441366083417 ], [ 3.939917823190273, 3.862980729883064, 3.5687831157360015 ], [ 5.252576453770599, 1.6864915687150885, 3.1859622815708297 ], [ 2.7540624119329578, 8.36237746275404, 17.91877496762081 ], [ 2.778211441932958, 3.3923475777540406, 8.98461102237919 ], [ 4.945570502475243, 6.394625709824712, 8.55334077716416 ], [ 4.092985494285085, 1.3636023576048217, 10.410605985053039 ], [ 2.4920498180670423, 1.5963717872459595, 0.0168156923791896 ], [ 4.05557561392497, 8.075607802984301, 10.240944623916583 ], [ 2.7379626172243907, 6.6496783979105425, 6.0453870473148195 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "K", "Nb", "Nb", "Nb", "Nb", "P", "P", "P", "P", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-07 01:00:15

[ 0.2, 0.06666666666666667, 0.6, 0.13333333333333333 ]

[]

-417.326616

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[]

0

0.194055

pbe

true

0b20e656513df1a027b5640aea700a89_14_K12Nb4P8O36

[ "K", "Nb", "O", "Pb" ]

46

A15B5C2D

KNb5O15Pb2

K2 Nb10 O30 Pb4

4

[ 1, 1, 1 ]

3

[ [ 0, 0, -3.96758924 ], [ -9.0158682, -9.41020936, 0 ], [ -9.0158682, 9.41020936, 0 ] ]

mp-1223583

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2019-01-12 23:57:28

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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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2014-03-06 15:45:18

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mp-559608

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2019-10-23 11:15:10

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-830.716441

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0

0.942906

pbe

true

8c4afa2a0a6d3077c62a239f44123536_147_K12Nd4Si28O68

[ "Ir", "Na", "S", "Zr" ]

12

A3BCD

IrNaS3Zr

Ir1 Na1 S3 Zr1

4

[ 1, 1, 1 ]

3

[ [ 1.774054299, -7.029568416, 0 ], [ 1.774054299, 7.029568416, 0 ], [ 0, 0, 9.637502271 ] ]

oqmd-7406111

[ [ 1.7740500000000003, -6.802930000000002, 2.40938 ], [ 1.7740500000000003, 6.802930000000002, 7.22813 ], [ 1.77405, 3.33641, 2.40938 ], [ 1.77405, -3.33641, 7.22813 ], [ 1.77405, -5.18612, 0.6659 ], [ 1.77405, -1.2542100000000005, 2.40938 ], [ 1.77405, -5.18612, 4.15285 ], [ 1.77405, 5.186120000000001, 5.48465 ], [ 1.77405, 1.2542100000000005, 7.22813 ], [ 1.77405, 5.186120000000001, 8.9716 ], [ 1.77405, 1.0845807008870044e-16, 0 ], [ 1.77405, 1.0845807008870044e-16, 4.81875 ] ]

[{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "Ir", "Ir", "Na", "Na", "S", "S", "S", "S", "S", "S", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 5.44931683, 0, 0 ], [ 0, 7.84901729, 0 ], [ 0, 0, 7.39432092 ] ]

-74.2252

[ 0, 0.001, 0, 0, 0, 0, 0.001, 0, 0, 0, -0.001, -0.001 ]

[ [ 0, 0.076066, 0 ], [ 0, -0.076066, 0 ], [ 0, 0.004268, 0 ], [ 0, -0.004268, 0 ], [ 0, 0.029457, -0.020971 ], [ 0, -0.078752, 0 ], [ 0, 0.029457, 0.020971 ], [ 0, -0.029457, -0.020971 ], [ 0, 0.078752, 0 ], [ 0, -0.029457, 0.020971 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.023104

null

pbe

true

08b3b9994adb0601f618156f9d4a586a_63_Na2Zr2Ir2S6

[ "Lu", "P", "Sn" ]

4

A2BC

Lu2PSn

Lu2 Sn1 P1

3

[ 1, 1, 1 ]

3

[ [ 3.84568889, 0, 0 ], [ 1.92284444, 3.33046427, 0 ], [ 1.92284444, 1.11015476, 7.58075235 ] ]

agm001940959

[ [ 0, 0, 0 ], [ 5.7685314237315595, 3.330463173599233, 6.032252914534462 ], [ 1.9228463462684415, 1.1101558564007665, 1.5484994354655377 ], [ 3.8456888850000004, 2.220309515, 3.790376175 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "Lu", "Lu", "Sn" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.5360553, 0, 0 ], [ 0, 1.5360553, 0 ], [ 0, 0, 1.4132468 ] ]

-22.752405

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00133787 ], [ 0, 0, 0.00133787 ], [ 0, 0, 0 ] ]

-0.000038

1.495715

pbe

true

f0f4c7e4049d4c7c7a5082ec5bcbec7d_166_Lu2Sn1P1

[ "Lu", "Pa", "Pm" ]

3

ABC

LuPaPm

Lu1 Pa1 Pm1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.647258503, 3.647258503 ], [ 3.647258503, 0, 3.647258503 ], [ 3.647258503, 3.647258503, 0 ] ]

oqmd-6922261

[ [ 1.8236300000000003, 1.8236300000000003, 1.8236300000000003 ], [ 5.47089, 5.47089, 5.47089 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Lu", "Pa", "Pm" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 12.24560048, 0, 0 ], [ 0, 12.24560048, 0 ], [ 0, 0, 12.24560048 ] ]

-15.4616

[ 0.291, 1.169, 0.436 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.44348

null

pbe

true

da24982049c4c5077af4d6d07e06aa6e_216_Pm1Lu1Pa1

[ "La", "Mg", "Mo", "O" ]

19

A12B4C2D

La4MgMo2O12

La4 Mg1 Mo2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.64495846, 0.03996058, -0.12611957 ], [ 0.04640707, 5.9285041, 0.06173445 ], [ -0.13985129, 0.07755576, 8.01824533 ] ]

mp-2230574

[ [ 2.7730948299876106, 0.4959458754704144, 5.8302151462881655 ], [ 5.341115755040951, 3.4441736851769447, 5.86851694650156 ], [ 2.7783335786153236, 5.5502546335839495, 2.1236474519022615 ], [ 0.2106549491675473, 2.6016462785108536, 2.085659729864597 ], [ 5.691358485633395, 5.968173216797437, -0.06413239246202547 ], [ 2.845635463118506, 2.9846066620827187, -0.03213953048575179 ], [ -0.023452006549925, 5.966875513408585, 4.070739599623617 ], [ 5.045395709288976, 0.2778786153596732, 1.892513327094547 ], [ 4.672974688215728, 1.7258534899994458, 4.314952970728291 ], [ 4.3138344937393915, 1.868764702682709, 7.443655339377617 ], [ 3.928231787703874, 4.9985019502822245, 4.362598581007429 ], [ 3.8291415557370123, 4.748661610775, 7.440159909611066 ], [ 3.5124692011700747, 3.1963183795562276, 1.7400586322656533 ], [ 0.5060357799566303, 5.768301499807318, 6.061231737044631 ], [ 0.8786659299701214, 4.320228529193805, 3.638691317209088 ], [ 1.237589395391548, 4.177292271441859, 0.5101290633974321 ], [ 2.0389535038837776, 2.8494486379128428, 6.213831480711001 ], [ 1.7222813953370655, 1.297395850301233, 0.5137716616960549 ], [ 1.6233002766888611, 1.0478035030247985, 3.591092741539181 ] ]

[{"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": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "La", "La", "La", "La", "Mg", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-05-01 04:15:35

[ 0.21052631578947367, 0.05263157894736842, 0.10526315789473684, 0.631578947368421 ]

[ [ 4.08906275, -0.0288227, -0.09066163 ], [ -0.02882268, 3.59365067, 0.22289548 ], [ -0.09066166, 0.22289544, 3.96637484 ] ]

-147.759591

[ 0.009, 0.006, 0.009, 0.006, 0.001, 0.935, 0.889, 0.021, -0.022, 0.025, 0.032, 0.026, -0.029, 0.021, -0.022, 0.025, -0.03, 0.026, 0.032 ]

[ [ -0.00991867, 0.01261687, -0.01281777 ], [ -0.01171199, 0.00153908, 0.02051045 ], [ 0.01172774, -0.00653614, 0.01030707 ], [ 0.00792661, -0.00754748, -0.02115062 ], [ -0.00035966, 0.00287874, -0.00216547 ], [ 0.00280493, -0.00761127, -0.00224313 ], [ -0.00341498, 0.0135358, 0.00359788 ], [ 0.00924405, -0.00749433, 0.00361951 ], [ 0.02087955, 0.00060247, -0.01805186 ], [ -0.00765774, -0.00582193, 0.00295905 ], [ 0.00431333, 0.00351925, 0.00647791 ], [ 0.00068582, 0.00440573, 0.01260614 ], [ -0.01070144, -0.00769441, -0.00452405 ], [ -0.0095433, 0.00261695, -0.00288639 ], [ -0.01524043, -0.00621594, 0.01727839 ], [ 0.0063449, 0.00857027, -0.00191382 ], [ 0.01140042, 0.0096345, 0.00647818 ], [ -0.00095458, -0.00246278, -0.0119539 ], [ -0.00582454, -0.00853538, -0.00612756 ] ]

1.96

5.713197

pbe

true

abc29a4e9ad4da61955f8834d6d08234_2_La4Mg1Mo2O12

[ "La", "Mg", "Sm", "Tb" ]

10

A2BCD

LaMgSm2Tb

La2 Tb2 Sm4 Mg2

4

[ 1, 1, 1 ]

3

[ [ 5.69469275, 0, 0 ], [ 0, 6.16133582, 1.13812532 ], [ 0, 1.50361345, 9.43235865 ] ]

agm005014554

[ [ 4.271019562499999, 3.1066260422105576, 6.157952186757365 ], [ 1.4236731875, 4.558323227789442, 4.412531783242635 ], [ 1.4236731875, 5.163066054703927, 0.9815961438667593 ], [ 4.271019562499999, 2.501883215296073, 9.58888782613324 ], [ 4.271019562499999, 5.820024557169332, 8.39684548650621 ], [ 1.4236731875, 1.8449247128306672, 2.173638483493788 ], [ 1.4236731875, 1.0225977061906326, 5.756194926223704 ], [ 4.271019562499999, 6.642351563809368, 4.814289043776296 ], [ 4.271019562499999, 3.8477456954006675, 2.4458228401114894 ], [ 1.4236731875, 3.8172035745993322, 8.12466112988851 ] ]

[{"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": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "La", "La", "Tb", "Tb", "Sm", "Sm", "Sm", "Sm", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.39018935, 0, 0 ], [ 0, 0.5933106, -0.06314282 ], [ 0, -0.0631428, 0.43381372 ] ]

-41.002806

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00164727, -0.00331055 ], [ 0, 0.00164727, 0.00331055 ], [ 0, 0.00329727, -0.00201094 ], [ 0, -0.00329727, 0.00201094 ], [ 0, -0.00334701, 0.00232875 ], [ 0, 0.00334701, -0.00232875 ], [ 0, 0.00118035, -0.00189659 ], [ 0, -0.00118035, 0.00189659 ], [ 0, 0.00229705, -0.00267234 ], [ 0, -0.00229705, 0.00267234 ] ]

0

14.902875

pbe

true

97b6adfcc58df96d532b6c41b68a9853_11_La2Tb2Sm4Mg2

[ "Lu", "Pa", "Sc" ]

4

A2BC

LuPaSc2

Lu1 Sc2 Pa1

3

[ 1, 1, 1 ]

3

[ [ 4.63111729, 0, 0 ], [ 0, 4.68141597, 0 ], [ 0, 0, 4.68141597 ] ]

agm001223013

[ [ 0, 0, 2.340707985 ], [ 0, 2.340707985, 0 ], [ 2.315558645, 2.340707985, 2.340707985 ], [ 2.315558645, 0, 0 ] ]

[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Sc", "Sc", "Pa", "Lu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.4675674, 0, 0 ], [ 0, 2.671783, 0 ], [ 0, 0, 2.671783 ] ]

-26.084964

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000087

3.964937

pbe

true

522622dca97d003267152e7a1eb704de_123_Lu1Sc2Pa1

[ "K", "Nd", "Sc", "Se" ]

12

A3BCD

KNdScSe3

K1 Nd1 Sc1 Se3

4

[ 1, 1, 1 ]

3

[ [ 2.195333491, -7.514296847, 0 ], [ 2.195333491, 7.514296847, 0 ], [ 0, 0, 11.49216821 ] ]

oqmd-7490384

[ [ 2.19533, 3.6347, 2.87304 ], [ 2.19533, -3.6347, 8.61913 ], [ 0, 0, 0 ], [ 0, 0, 5.74608 ], [ 2.19533, -0.4979199999999995, 2.87304 ], [ 2.19533, 0.49791999999999986, 8.61913 ], [ 2.19533, -1.9420900000000003, 0.76048 ], [ 2.19533, -6.55838, 2.87304 ], [ 2.19533, -1.9420900000000003, 4.98561 ], [ 2.19533, 1.9420900000000003, 6.50656 ], [ 2.19533, 6.5583800000000005, 8.61913 ], [ 2.19533, 1.9420900000000003, 10.73169 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]

[ "K", "K", "Nd", "Nd", "Sc", "Sc", "Se", "Se", "Se", "Se", "Se", "Se" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

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-64.223

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0.028735

null

pbe

true

1fdc5bc4ad4a77def962e7d44ca78044_63_K2Nd2Sc2Se6

[ "N", "Pu", "Sr", "Th" ]

12

A3BCD

N3PuSrTh

Sr2 Pu2 Th2 N6

4

[ 1, 1, 1 ]

3

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agm005040742

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[ "Sr", "Sr", "Pu", "Pu", "Th", "Th", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

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4.826188

6.852405

pbe

true

160dc3c55c0a63ee27227fdcb989620f_11_Sr2Pu2Th2N6

[ "Li", "Mn", "O", "Si" ]

22

A6B2C2D

Li2MnO6Si2

Li4 Mn2 Si4 O12

4

[ 1, 1, 1 ]

3

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[{"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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10.000003

0

pbe

true

8c14752a4478c58066c9f7072ddbc06e_15_Li4Mn2Si4O12

[ "Li", "Mn", "O", "Si" ]

26

A7B2C2D2

Li2Mn2O7Si2

Li4 Mn4 Si4 O14

4

[ 1, 1, 1 ]

3

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[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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19.999996

0

pbe

true

5b3b239e7bb3b888c6e9f9d3d3490690_40_Li4Mn4Si4O14

[ "Li", "Mn", "O", "Si" ]

28

A4BCD

LiMnO4Si

Li4 Mn4 O16 Si4

4

[ 1, 1, 1 ]

3

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mp-780196

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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Mn", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-10-22 22:21:08

[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]

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-199.388028

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15.442

1.5397

pbe

true

bafa359999357c9ac18f75bd43251efd_2_Li4Mn4Si4O16

[ "K", "Ni", "O", "Se" ]

20

A12B4C3D

KNi3O12Se4

K1 Ni3 Se4 O12

4

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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1.839883

7.82532

pbe

true

33f60ca0fb796387bfd89e5936e7a639_155_K1Ni3Se4O12

[ "Lu", "Te", "Tl", "Zr" ]

12

A3BCD

LuTe3TlZr

Lu1 Te3 Tl1 Zr1

4

[ 1, 1, 1 ]

3

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oqmd-5053657

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[ "Lu", "Lu", "Te", "Te", "Te", "Te", "Te", "Te", "Tl", "Tl", "Zr", "Zr" ]

2024-11-01 00:00:00

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-58.8909

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0.014831

null

pbe

true

2ceda5698731d990395e36b98caa74d5_63_Lu2Zr2Tl2Te6

[ "K", "Ni", "O", "Te" ]

20

A6B2CD

KNiO6Te2

K2 Ni2 Te4 O12

4

[ 1, 1, 1 ]

3

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agm004975743

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[ "K", "K", "Ni", "Ni", "Te", "Te", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

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3.470367

4.632902

pbe

true

63583186449474740b5f7da3b1d669e1_15_K2Ni2Te4O12

[ "Cd", "Os", "Rh" ]

4

A2BC

Cd2OsRh

Cd2 Os1 Rh1

3

[ 1, 1, 1 ]

3

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agm003883898

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Cd", "Cd", "Os", "Rh" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 9.899453, 0, -0.00491772 ], [ 0, 9.954398, 0 ], [ -0.00491772, 0, 9.953958 ] ]

-18.99678

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0.517514

3.834472

pbe

true

b4b4959bb64861ed1d806a6fabfb5538_166_Cd2Os1Rh1

[ "Mg", "O", "P", "V" ]

36

A12B4CD

MgO12P4V

Mg2 V2 P8 O24

4

[ 1, 1, 1 ]

3

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agm003243841

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

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2023-11-16 06:57:59

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-261.588241

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5.999998

0

pbe

true

c605e6ec448208acac7f60b346b1bf5b_15_Mg2V2P8O24

[ "Mo", "O", "Te", "Y" ]

72

A12B3C2D

MoO12Te3Y2

Y8 Te12 Mo4 O48

4

[ 1, 1, 1 ]

3

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agm003277257

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"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"]}]

[ "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Y", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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[ [ 0.80920434, 0, 0 ], [ 0, 0.7042793, 0 ], [ 0, 0, 1.2158561 ] ]

-495.233622

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0.000009

0

pbe

true

591366cb3204a147153ca165fb15cd1c_62_Y8Te12Mo4O48

[ "Na", "O", "Os", "Si" ]

9

A6BCD

NaO6OsSi

Na1 Si1 Os1 O6

4

[ 1, 1, 1 ]

3

[ [ 4.95913538, 0.00022041, 0.00003308 ], [ 2.47979518, 4.29449292, 0.00002672 ], [ 0.00016079, -0.00023595, 5.24841759 ] ]

agm005076044

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[{"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": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Na", "Si", "Os", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.6666666666666666, 0.1111111111111111, 0.1111111111111111 ]

[ [ 0.7906974, -0.03502572, -0.04974264 ], [ -0.03502579, 1.0153512, -0.00800007 ], [ -0.04974264, -0.00800001, 1.1028025 ] ]

-62.129154

[ 0, 0.019, 0.547, 0.034, 0.034, 0.034, 0.034, 0.034, 0.034 ]

[ [ -0.00013211, -0.00006187, 0.00003752 ], [ -0.00155519, 0.00158184, 0.00107969 ], [ 0.00233619, -0.00493472, 0.00178244 ], [ -0.00085102, 0.00063097, -0.00070948 ], [ -0.00057018, -0.00060951, 0.00179698 ], [ -0.00038963, -0.00241699, 0.0002214 ], [ -0.0009185, 0.00450533, 0.0002985 ], [ -0.00248344, 0.00153847, -0.00138403 ], [ 0.00456388, -0.00023352, -0.00312302 ] ]

0.850753

1.893662

pbe

true

99ec0d286bdb34a147dfced488267acc_149_Na1Si1Os1O6

[ "K", "Ni", "S", "Sb" ]

12

A3BCD

KNiS3Sb

K1 Ni1 S3 Sb1

4

[ 1, 1, 1 ]

3

[ [ 1.973522133, -6.864201564, 0 ], [ 1.973522133, 6.864201564, 0 ], [ 0, 0, 10.614663271 ] ]

oqmd-9019806

[ [ 1.97352, -3.284609999999999, 2.65367 ], [ 1.97352, 3.2846099999999994, 7.961000000000001 ], [ 1.97352, 0.5207400000000002, 2.65367 ], [ 1.97352, -0.5207400000000002, 7.961000000000001 ], [ 1.97352, 1.7255700000000005, 0.71253 ], [ 1.97352, 6.234700000000001, 2.65367 ], [ 1.97352, 1.7255700000000005, 4.5948 ], [ 1.97352, -1.7255699999999998, 6.01986 ], [ 1.9735200000000004, -6.234700000000001, 7.961000000000001 ], [ 1.97352, -1.7255699999999998, 9.90214 ], [ 0, 0, 0 ], [ 0, 0, 5.30733 ] ]

[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "K", "K", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "Sb", "Sb" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 4.63363961, 0, 0 ], [ 0, 1.35010159, 0 ], [ 0, 0, 3.56873168 ] ]

-51.9395

[ 0.004, 0.004, 1.097, 1.097, 0.116, 0.179, 0.117, 0.117, 0.179, 0.116, 0.007, 0.008 ]

[ [ 0, 0.001865, 0 ], [ 0, -0.001865, 0 ], [ 0, 0.072283, 0 ], [ 0, -0.072283, 0 ], [ 0, -0.000567, 0.001347 ], [ 0, 0.106066, 0 ], [ 0, -0.000567, -0.001347 ], [ 0, 0.000567, 0.001347 ], [ 0, -0.106066, 0 ], [ 0, 0.000567, -0.001347 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.63684

null

pbe

true

464f3576c1950190bd0bd7bb11421c4c_63_K2Ni2Sb2S6

[ "Hf", "In", "Pd" ]

4

A2BC

HfInPd2

Hf1 In1 Pd2

3

[ 1, 1, 1 ]

3

[ [ 3.39113226, 0, 0 ], [ 0, 3.39113226, 0 ], [ 0, 0, 6.48455367 ] ]

mp-1224492

[ [ 0, 0, 0 ], [ 0, 0, 3.242276835 ], [ 1.69556613, 1.69556613, 1.465993590424686 ], [ 1.69556613, 1.69556613, 5.018560079575314 ] ]

[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Hf", "In", "Pd", "Pd" ]

2019-01-13 00:44:04

[ 0.25, 0.25, 0.5 ]

[ [ -4.60717913, 0, 0 ], [ 0, -4.60717913, 0 ], [ 0, 0, 0.03327998 ] ]

-25.656765

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02270829 ], [ 0, 0, -0.02270829 ] ]

0

6.691546

pbe

true

dea8d2f2ff2343eabc07eb83d3b31940_123_Hf1In1Pd2

[ "K", "Ni", "S", "Ta" ]

18

A5B2CD

K2NiS5Ta

K4 Ta2 Ni2 S10

4

[ 1, 1, 1 ]

3

[ [ 3.7798624, -0.03777755, -0.00006811 ], [ -1.99048815, 9.74995075, 0.00029664 ], [ 0.00002325, 0.00024351, 13.21617051 ] ]

agm005158551

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "K", "K", "K", "K", "Ta", "Ta", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.1111111111111111, 0.5555555555555556, 0.1111111111111111 ]

[ [ -0.6612318, 0.00194042, 0.01449162 ], [ 0.00194044, -0.6931315, 0.01362336 ], [ 0.01449162, 0.01362341, -0.715835 ] ]

-95.621512

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00042844, -0.00037381, 0.00260865 ], [ 0.00033326, -0.00055948, 0.00070099 ], [ -0.00019605, 0.00073474, 0.00235399 ], [ -0.00044386, -0.00037362, 0.00016929 ], [ -0.00005917, 0.0044329, -0.00061476 ], [ -0.00000919, -0.00125687, 0.0034015 ], [ 0.00323022, 0.01310746, -0.01307372 ], [ -0.00349451, -0.01159315, -0.01467259 ], [ -0.00015504, -0.0022363, 0.002068 ], [ -0.00063803, 0.00138591, 0.00209856 ], [ 0.00012306, -0.00418753, -0.00102805 ], [ 0.00075813, 0.00193854, 0.00214542 ], [ 0.00033655, 0.00076952, 0.00485634 ], [ -0.00059228, 0.0002242, 0.00173086 ], [ 0.00011088, -0.00164989, 0.00175834 ], [ 0.00006125, 0.00196833, 0.00080595 ], [ 0.00058137, -0.00200989, 0.00103298 ], [ -0.00037503, -0.00032106, 0.00365827 ] ]

0

8.03465

pbe

true

e01f7f881a21ded9abf1caab5439ca07_4_K4Ta2Ni2S10

[ "Hf", "Mn", "Th" ]

4

A2BC

Hf2MnTh

Hf2 Th1 Mn1

3

[ 1, 1, 1 ]

3

[ [ 3.24281005, 0, 0 ], [ 0, 3.24281005, 0 ], [ 0, 0, 8.10682164 ] ]

agm001153460

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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Mn", "Hf", "Hf", "Th" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 1.4397851, 0, 0 ], [ 0, 1.4397851, 0 ], [ 0, 0, 1.388189 ] ]

-36.509591

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00316469 ], [ 0, 0, -0.00316469 ], [ 0, 0, 0 ] ]

-0.000018

3.061688

pbe

true

ca83bc2ec9bcedbb5337dc15ffc72d96_123_Hf2Th1Mn1

[ "Lu", "Pm", "Pr" ]

6

A4BC

Lu4PmPr

Pr1 Pm1 Lu4

3

[ 1, 1, 1 ]

3

[ [ 6.62510131, 0, 0 ], [ 3.31255065, 5.73750603, 0 ], [ 3.31255065, 1.91250201, 5.40937256 ] ]

agm001183188

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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Pr", "Lu", "Lu", "Lu", "Lu", "Pm" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 1.2053146, 0, 0 ], [ 0, 1.2053146, 0 ], [ 0, 0, 1.2053146 ] ]

-26.00918

[ -0.56, -0.545, -0.545, -0.545, -0.545, -0.592 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00195747 ], [ 0, -0.00184552, 0.00065249 ], [ 0.00159827, 0.00092276, 0.00065249 ], [ -0.00159827, 0.00092276, 0.00065249 ], [ 0, 0, 0 ] ]

-6.201725

12.209959

pbe

true

62f3e57933be9e40d1fdd14c3d4efcea_216_Pr1Pm1Lu4

[ "K", "Ni", "S", "U" ]

20

A12B4C3D

KNi4S12U3

K1 U3 Ni4 S12

4

[ 1, 1, 1 ]

3

[ [ 8.39317609, -0.09147998, -0.12709067 ], [ -2.11106475, 8.12386479, -0.12709067 ], [ -2.11106475, -2.69923335, 7.66338505 ] ]

agm004708691

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "K", "U", "U", "U", "Ni", "Ni", "Ni", "Ni", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.05, 0.2, 0.6, 0.15 ]

[ [ -1.2096238, -0.00553828, -0.00769418 ], [ -0.00553828, -1.2123736, -0.00983787 ], [ -0.00769418, -0.00983787, -1.2189598 ] ]

-121.174597

[ 0.001, 0.107, 0.107, 0.107, 0.701, 0.701, 0.701, 0.267, 0.019, 0.066, 0.066, 0.066, 0.081, 0.081, 0.081, 0.081, 0.081, 0.081, 0.019, 0.019 ]

[ [ 0, 0, 0 ], [ -0.00043605, 0.00034103, 0 ], [ 0.00043605, 0.00010825, -0.00032339 ], [ 0, -0.00044928, 0.00032339 ], [ 0.00028042, -0.00021931, 0 ], [ -0.00028042, -0.00006962, 0.00020797 ], [ 0, 0.00028893, -0.00020797 ], [ 0, 0, 0 ], [ 0, -0.00259379, 0.00186701 ], [ -0.00420322, -0.00104348, 0.00311732 ], [ 0.00420322, -0.00328733, 0 ], [ 0, 0.00433081, -0.00311732 ], [ -0.00406007, 0.00299429, 0.0004791 ], [ 0.00049672, -0.00406, 0.00299151 ], [ 0.00388432, 0.00147611, -0.00290045 ], [ 0.00406007, 0.00049614, -0.00299151 ], [ -0.00388432, 0.00321901, -0.0004791 ], [ -0.00049672, -0.00412554, 0.00290045 ], [ 0.00251738, 0.00062496, -0.00186701 ], [ -0.00251738, 0.00196884, 0 ] ]

4.032524

26.443176

pbe

true

bed9eb4e118ef7cb39a8d458a3c67a60_155_K1U3Ni4S12

[ "Fe", "Sb", "Te" ]

4

A2BC

FeSbTe2

Fe1 Sb1 Te2

3

[ 1, 1, 1 ]

3

[ [ 3.62507284, 0, 0 ], [ 0, 5.20042235, 0 ], [ 0, 0, 5.20042235 ] ]

agm004184015

[ [ 1.81253642, 2.600211175, 0 ], [ 1.81253642, 0, 2.600211175 ], [ 0, 0, 0 ], [ 0, 2.600211175, 2.600211175 ] ]

[{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"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"]}]

[ "Fe", "Sb", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4097265, 0, 0 ], [ 0, 1.5816166, 0 ], [ 0, 0, 1.5816166 ] ]

-16.742993

[ 3.117, 0.017, -0.013, -0.013 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.20473

4.448025

pbe

true

2223e8f5714407405fc4cfb3dfd1ffe7_123_Fe1Sb1Te2

[ "Fe", "Tl", "Zn" ]

4

A2BC

FeTl2Zn

Tl2 Zn1 Fe1

3

[ 1, 1, 1 ]

3

[ [ 5.17494555, 0, 0 ], [ 0, 5.19092278, 0 ], [ 0, 0, 3.08942704 ] ]

agm004157834

[ [ 0, 2.59546139, 1.54471352 ], [ 0, 0, 0 ], [ 2.587472775, 2.59546139, 0 ], [ 2.587472775, 0, 1.54471352 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Fe", "Tl", "Tl", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.0920935, 0, 0 ], [ 0, 1.7331057, 0 ], [ 0, 0, 18.573359 ] ]

-12.421166

[ 2.892, -0.019, -0.02, -0.007 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.803463

3.319705

pbe

true

e29d9ee83cf3f72ef4b25183c63a898a_47_Tl2Zn1Fe1

[ "Au", "Se", "Tb", "Tl" ]

12

A3BCD

AuSe3TbTl

Au1 Se3 Tb1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 2.016150596, -7.30618891, 0 ], [ 2.016150596, 7.30618891, 0 ], [ 0, 0, 10.784691443 ] ]

oqmd-7518618

[ [ 2.0161499999999997, -6.803129999999999, 2.69617 ], [ 2.0161499999999997, 6.803129999999999, 8.08852 ], [ 2.0161499999999997, -5.30971, 0.55199 ], [ 2.0161499999999997, -1.17624, 2.69617 ], [ 2.0161499999999997, -5.30971, 4.84036 ], [ 2.0161499999999997, 5.309709999999999, 5.944340000000001 ], [ 2.0161499999999997, 1.1762399999999995, 8.08852 ], [ 2.0161499999999997, 5.309709999999999, 10.2327 ], [ 2.0161499999999997, 1.1898556786719061e-16, 0 ], [ 2.0161499999999997, 1.1898556786719061e-16, 5.39235 ], [ 2.01615, 3.5244299999999997, 2.69617 ], [ 2.0161499999999997, -3.52443, 8.08852 ] ]

[{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}]

[ "Au", "Au", "Se", "Se", "Se", "Se", "Se", "Se", "Tb", "Tb", "Tl", "Tl" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.16666666666666666, 0.16666666666666666 ]

[ [ 8.22050473, 0, 0 ], [ 0, 7.256412, 0 ], [ 0, 0, 8.95998579 ] ]

-51.7881

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.000285, 0 ], [ 0, 0.000285, 0 ], [ 0, -0.009057, 0.000879 ], [ 0, 0.030059, 0 ], [ 0, -0.009057, -0.000879 ], [ 0, 0.009057, 0.000879 ], [ 0, -0.030059, 0 ], [ 0, 0.009057, -0.000879 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.014819, 0 ], [ 0, 0.014819, 0 ] ]

0.013642

null

pbe

true

3da2287d55b808d93a67c653a872458b_63_Tb2Tl2Au2Se6

[ "K", "Np", "O", "Si" ]

21

A13B3C3D2

K3Np3O13Si2

K3 Np3 Si2 O13

4

[ 1, 1, 1 ]

3

[ [ 4.89772054, -8.48310077, 0 ], [ 4.8977205, 8.4831008, 0 ], [ 0, 0, 3.95891252 ] ]

agm005281103

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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": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "K", "K", "K", "Np", "Np", "Np", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.6190476190476191, 0.09523809523809523 ]

[ [ 0.6515373, 7e-8, 0 ], [ -7e-8, 0.6515373, 0 ], [ 0, 0, 0.6123415 ] ]

-171.784896

[ -0.001, -0.001, -0.001, 2.085, 2.085, 2.085, 0.019, 0.006, -0.07, -0.07, -0.07, -0.074, -0.074, -0.074, -0.005, -0.005, -0.005, -0.025, -0.025, -0.025, -0.019 ]

[ [ 0.00042116, -0.00056024, -0.00014428 ], [ 0.0002746, 0.00064486, -0.00014428 ], [ -0.00069576, -0.00008462, -0.00014428 ], [ -0.0006633, -0.00299461, -0.00134133 ], [ 0.00292506, 0.00092287, -0.00134133 ], [ -0.00226176, 0.00207174, -0.00134133 ], [ 0, 0, 0.00108569 ], [ 0, 0, -0.00173999 ], [ 0.00118718, 0.0027096, 0.00012521 ], [ -0.00294018, -0.00032667, 0.00012521 ], [ 0.001753, -0.00238293, 0.00012521 ], [ -0.0011951, -0.00015699, 0.00010694 ], [ 0.0007335, -0.00095649, 0.00010694 ], [ 0.00046159, 0.00111348, 0.00010694 ], [ 0.00176762, 0.00407936, -0.00045407 ], [ -0.00441664, -0.00050888, -0.00045407 ], [ 0.00264902, -0.00357048, -0.00045407 ], [ 0.00209313, -0.00170206, 0.00179258 ], [ -0.00252059, -0.00096167, 0.00179258 ], [ 0.00042747, 0.00266373, 0.00179258 ], [ 0, 0, 0.00039914 ] ]

6.001108

13.75772

pbe

true

3e53f566b0dcbbcec5d462821271b21d_143_K3Np3Si2O13

[ "K", "Np", "Pa", "S" ]

20

A6B2CD

K2NpPaS6

K4 Np2 Pa2 S12

4

[ 1, 1, 1 ]

3

[ [ 7.3180166, 0.00002034, -0.02206934 ], [ 0.00002091, 7.33842498, 0.00000327 ], [ 0.03435793, 0.00000436, 10.3808256 ] ]

agm004939331

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"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": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}]

[ "K", "K", "K", "K", "Np", "Np", "Pa", "Pa", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.2, 0.1, 0.1, 0.6 ]

[ [ 0.15405466, 0.00006373, -0.00437742 ], [ 0.00006372, 0.0734873, -0.00049847 ], [ -0.00437738, -0.00049853, 0.12688752 ] ]

-126.096282

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[ [ -0.00084211, 0.00302175, 0.00196988 ], [ -0.00088283, -0.00322373, -0.00203056 ], [ 0.00084211, -0.00302175, -0.00196988 ], [ 0.00088283, 0.00322373, 0.00203056 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00013163, 0.00186955, -0.00289168 ], [ -0.00105768, -0.00207128, -0.00348364 ], [ 0.00013163, -0.00186955, 0.00289168 ], [ 0.00105768, 0.00207128, 0.00348364 ], [ -0.00034892, 0.00214518, 0.00367528 ], [ -0.00096697, -0.00188115, 0.00273712 ], [ 0.00034892, -0.00214518, -0.00367528 ], [ 0.00096697, 0.00188115, -0.00273712 ], [ 0.00278827, -0.00105841, 0.00281713 ], [ 0.00258096, 0.00077043, -0.00238978 ], [ -0.00278827, 0.00105841, -0.00281713 ], [ -0.00258096, -0.00077043, 0.00238978 ] ]

3.999793

15.215707

pbe

true

28c552e5cb810f5e94607d58eb7e8397_14_K4Np2Pa2S12

[ "B", "C", "Nd", "Sn" ]

5

A2BCD

BC2NdSn

B1 C2 Nd1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 2.721489352, -2.720730533, 0 ], [ 2.721489352, 2.720730533, 0 ], [ -2.660931115, 0, 5.371933985 ] ]

oqmd-9064154

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2024-11-01 00:00:00

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K2NpS6U

K4 Np2 U2 S12

4

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3

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2023-11-16 06:57:59

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K2NpSe6U

K4 Np2 U2 Se12

4

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2023-11-16 06:57:59

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[ "Cd", "Os", "Sc" ]

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Sc1 Cd3 Os1

3

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3

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agm002591113

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[ "Sc", "Os", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

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Dy1 F1

2

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3

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oqmd-5417175

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[ "Dy", "Dy", "F", "F" ]

2024-11-01 00:00:00

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A6B2CD

K2O6OsTm

K2 Tm1 Os1 O6

4

[ 1, 1, 1 ]

3

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agm004936054

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[ "K", "K", "Tm", "Os", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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BeCaW3

Ca1 Be1 W3

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3

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agm002422381

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[ "Be", "Ca", "W", "W", "W" ]

2023-11-16 06:57:59

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2023-11-16 06:57:59

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K2O12P4Pb

K16 O96 P32 Pb8

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mp-667288

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2013-09-28 22:46:06

[ 0.10526315789473684, 0.631578947368421, 0.21052631578947367, 0.05263157894736842 ]

[]

-1,023.861642

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[]

0

1.666013

pbe

true

d29bbff1bc10d0c722958064f58dfe84_61_K16P32Pb8O96

[ "Be", "Cd", "Ge" ]

8

A2BC

BeCdGe2

Be2 Cd2 Ge4

3

[ 1, 1, 1 ]

3

[ [ 4.52201093, 0, 0 ], [ 0, 4.52201093, 0 ], [ 2.26100547, 2.26100547, 7.64896775 ] ]

agm002798619

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[ "Be", "Be", "Ge", "Ge", "Ge", "Ge", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 5.2912135, 0, 0 ], [ 0, 5.2912135, 0 ], [ 0, 0, 5.6619444 ] ]

-25.468681

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0

0.242017

pbe

true

df727f491e38d640bcec69c438a8b4ab_122_Be2Cd2Ge4

[ "Eu", "Sm" ]

4

A3B

EuSm3

Sm3 Eu1

2

[ 1, 1, 1 ]

3

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agm004014979

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[ "Eu", "Sm", "Sm", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.75 ]

[ [ 1.3083056, 0, 0 ], [ 0, 1.3083056, 0 ], [ 0, 0, 1.3083056 ] ]

-24.148525

[ -6.828, 0.008, 0.008, 0.008 ]

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-7.089619

5.942402

pbe

true

5521d307bfb05557174fd48deb1f9aa3_221_Sm3Eu1

[ "F", "Zn" ]

4

AB

FZn

Zn2 F2

2

[ 1, 1, 1 ]

3

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agm004444523

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[{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Zn", "Zn", "F", "F" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

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0

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pbe

true

4803b16c1ab88b531bf79ea4a9e8d773_186_Zn2F2

[ "Be", "Cd", "In" ]

4

A2BC

BeCd2In

Be1 Cd2 In1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.432521, 3.432521 ], [ 3.432521, 0, 3.432521 ], [ 3.432521, 3.432521, 0 ] ]

oqmd-2313369

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[{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Be", "Cd", "Cd", "In" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 18.15263, 0.06435, 0.06435 ], [ 0.06435, 18.15263, 0.06435 ], [ 0.06435, 0.06435, 18.15263 ] ]

-6.43952

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null

pbe

true

4e7a3f04e01fd1d5bec0d00efaa70350_216_Be1Cd2In1

[ "K", "O", "P", "Sb" ]

48

A8B2CD

KO8PSb2

K4 O32 P4 Sb8

4

[ 1, 1, 1 ]

3

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mp-556756

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2014-03-06 10:39:30

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Be2CdTc

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ "Fe", "Fe", "Fe", "Pt" ]

2023-11-16 06:57:59

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K4 O40 P12 Th4

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mp-559645

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2014-03-07 10:54:10

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K7O48P12Ti8

K7 Ti8 P12 O48

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3

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2023-11-16 06:57:59

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mp-560812

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2014-03-06 01:52:43

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[]

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pbe

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3

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oqmd-1990704

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2024-11-01 00:00:00

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5.04913

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agm004179976

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2023-11-16 06:57:59

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[ "K", "O", "P", "Zn" ]

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KO4PZn

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2014-03-04 11:12:03

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ "Pm", "Si", "Si", "Pt", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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[ "Fe", "Zn" ]

4

A3B

Fe3Zn

Fe3 Zn1

2

[ 1, 1, 1 ]

3

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oqmd-1991095

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[ "Fe", "Fe", "Fe", "Zn" ]

2024-11-01 00:00:00

[ 0.75, 0.25 ]

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null

pbe

true

46b36a37220e457c7171379827084052_225_Zn1Fe3

[ "Gd", "Pt" ]

4

A3B

GdPt3

Gd1 Pt3

2

[ 1, 1, 1 ]

3

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oqmd-9397152

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[ "Gd", "Pt", "Pt", "Pt" ]

2024-11-01 00:00:00

[ 0.25, 0.75 ]

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0.003718

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pbe

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a64e4b6d16c048b9fe88cecab00dfb41_221_Gd1Pt3

[ "O", "Os", "Rb", "Y" ]

10

A6B2CD

O6OsRb2Y

Rb2 Y1 Os1 O6

4

[ 1, 1, 1 ]

3

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agm004934250

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[ "Rb", "Rb", "Y", "Os", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.2, 0.1 ]

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1.045886

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pbe

true

9e7c64f90907958907305109baf65a47_164_Rb2Y1Os1O6

[ "O", "Os", "Tl", "Tm" ]

10

A6B2CD

O6OsTl2Tm

Tm1 Tl2 Os1 O6

4

[ 1, 1, 1 ]

3

[ [ 5.67382568, 0, 0 ], [ 0, 6.43037272, 0 ], [ 0, -3.21518636, 5.56886613 ] ]

agm004923663

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[ "Tm", "Tl", "Tl", "Os", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.2, 0.1 ]

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0.850689

4.638837

pbe

true

bab642171e19b4ee794f44ce0075507a_164_Tm1Tl2Os1O6

[ "K", "O", "Pb", "Th" ]

20

A6B2CD

K2O6PbTh

K4 Th2 Pb2 O12

4

[ 1, 1, 1 ]

3

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agm004969397

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[ "K", "K", "K", "K", "Th", "Th", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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3.973974

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pbe

true

881e77a1d00b380e25fe08a51e48e811_14_K4Th2Pb2O12

[ "O", "Pm", "Pt", "Tl" ]

18

A6BCD

O6PmPtTl

Pm2 Tl2 Pt2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.74942571, 0, 0 ], [ -2.87471285, 4.97914872, 0 ], [ 0, 0, 8.78916837 ] ]

agm005075731

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[ "Pm", "Pm", "Tl", "Tl", "Pt", "Pt", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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0.000004

13.646277

pbe

true

ad2d29301f674ae15d91394c1b43867a_163_Pm2Tl2Pt2O12

[ "H", "Pt" ]

5

A4B

H4Pt

H4 Pt1

2

[ 1, 1, 1 ]

3

[ [ 3.43334057, 0, 0 ], [ 0, 3.43334057, 0 ], [ 0, 0, 3.43334057 ] ]

agm006182428

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[ "H", "H", "H", "H", "Pt" ]

2023-11-16 06:57:59

[ 0.8, 0.2 ]

[ [ 19.018387, 0, 0 ], [ 0, 19.018387, 0 ], [ 0, 0, 19.018387 ] ]

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pbe

true

5328c3d7f93e43de3160925fdd3242a8_221_H4Pt1

[ "O", "Pb", "Tb", "Tm" ]

5

A2BCD

O2PbTbTm

Tb1 Tm1 Pb1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.82585019, 0, 0 ], [ 0, 3.82585019, 0 ], [ -1.91292509, -1.91292509, 7.06609253 ] ]

agm005015135

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[ "Tb", "Tm", "Pb", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

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pbe

true

a1769a65be97c816adf811e1810ab1a6_107_Tb1Tm1Pb1O2

[ "Cd", "Pb", "Sr" ]

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A3B2C

Cd3PbSr2

Sr4 Cd6 Pb2

3

[ 1, 1, 1 ]

3

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agm003427927

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[ "Sr", "Sr", "Sr", "Sr", "Cd", "Cd", "Cd", "Cd", "Cd", "Cd", "Pb", "Pb" ]

2023-11-16 06:57:59

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-24.260116

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6.040495

pbe

true

8f5e47e67b7f078ea5e3ad161c2be63b_69_Sr4Cd6Pb2

[ "Cd", "Pb", "Te" ]

4

A2BC

CdPbTe2

Cd1 Te2 Pb1

3

[ 1, 1, 1 ]

3

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agm003892887

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[ "Pb", "Te", "Te", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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2.441735

pbe

true

7fc7e8576231ce292dc7ea83274495c5_123_Cd1Te2Pb1

[ "K", "O", "Pm", "V" ]

20

A6B2CD

KO6PmV2

K2 Pm2 V4 O12

4

[ 1, 1, 1 ]

3

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agm004945642

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[ "K", "K", "Pm", "Pm", "V", "V", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.1, 0.2 ]

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-147.978909

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4.000001

-0.00081

pbe

true

938f888fc36e2c4d73cf5c89d142e6e9_15_K2Pm2V4O12

[ "K", "O", "Pr", "Se" ]

48

A8B2CD

KO8PrSe2

K4 Pr4 Se8 O32

4

[ 1, 1, 1 ]

3

[ [ 7.492618, 0, 0 ], [ 0, 9.02793765, 0.00097732 ], [ 0, 0.33053863, 11.23527505 ] ]

agm003251786

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[ "K", "K", "K", "K", "Pr", "Pr", "Pr", "Pr", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-284.144052

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-0.001764

0

pbe

true

0a0f095eaa7e3555257474933baebe71_14_K4Pr4Se8O32

[ "O", "Rh", "Sr", "V" ]

10

A6B2CD

O6RhSr2V

Sr2 V1 Rh1 O6

4

[ 1, 1, 1 ]

3

[ [ 5.55545823, 0, 0 ], [ 2.77772911, 4.81116795, 0 ], [ 2.77772911, 1.60372265, 4.53601265 ] ]

agm002366283

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Sr", "Sr", "Rh", "O", "O", "O", "O", "O", "O", "V" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.2, 0.1 ]

[ [ 1.0634731, 0, 0 ], [ 0, 1.0634731, 0 ], [ 0, 0, 1.0634731 ] ]

-68.439555

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0

2.539459

pbe

true

9e079095f42beb12e5996796a12cc414_225_Sr2V1Rh1O6

[ "H", "Rb" ]

4

AB

HRb

Rb2 H2

2

[ 1, 1, 1 ]

3

[ [ 4.72552371, 0, 0 ], [ 0, 8.13434581, 0 ], [ 0, 0, 15.00086897 ] ]

agm2000002321

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "H", "H", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.61408055, 0, 0 ], [ 0, 0.68879694, 0 ], [ 0, 0, -0.0732848 ] ]

-8.716459

[ 0, 0, 0, 0 ]

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-0.000009

0

pbe

true

615f5e16648f69689fc679afed1cac4d_38_Rb2H2

[ "K", "O", "Pu", "Zn" ]

20

A6B2CD

K2O6PuZn

K4 Pu2 Zn2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.83981878, -0.00001752, -0.01837014 ], [ -0.00001749, 5.83984709, 0.00000326 ], [ 0.02586774, 0.00000452, 8.263929 ] ]

agm004923290

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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": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "K", "K", "K", "K", "Pu", "Pu", "Zn", "Zn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

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0.402533

17.965878

pbe

true

20c41802e489a68803bef4ac98f663f1_225_K4Pu2Zn2O12

[ "Cd", "Pb", "Tl" ]

4

A2BC

Cd2PbTl

Tl1 Cd2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 6.35541047, 0.02199522, 0.02726848 ], [ 2.7472403, 5.7310031, -0.0272685 ], [ -3.80652119, -4.05496033, 3.07573771 ] ]

agm003175322

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Pb", "Tl", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-7.590533

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-0.000001

1.68439

pbe

true

28fb3eb2b71d9ef705e8a90414b62534_71_Tl1Cd2Pb1

[ "Cd", "Pd", "Sn" ]

5

A3BC

Cd3PdSn

Cd3 Sn1 Pd1

3

[ 1, 1, 1 ]

3

[ [ 5.1542529, 0, 0 ], [ 0, 5.1542529, 0 ], [ 0, 0, 5.1542529 ] ]

agm002574094

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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]

[ "Sn", "Pd", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 5.622283, 0, 0 ], [ 0, 5.622283, 0 ], [ 0, 0, 5.622283 ] ]

-11.318019

[ 0, 0, 0, 0, 0 ]

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0

2.820385

pbe

true

5a318fdc22f3cef34ead8864412c003a_221_Cd3Sn1Pd1

[ "Be", "Cl", "Co" ]

3

ABC

BeClCo

Be1 Co1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 6.19268148, 0.03870541, -0.02469799 ], [ 5.14008109, 2.77270032, -0.02180521 ], [ 1.05260056, -1.14917745, 2.48075184 ] ]

agm003973909

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}]

[ "Be", "Co", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.8828266, 0.0100522, -0.0064142 ], [ 0.0100522, 1.8968453, 0.05431838 ], [ -0.0064142, 0.05431838, 1.9473102 ] ]

-11.841967

[ -0.048, 1.597, 0.018 ]

[ [ 0.00237046, 0.00091325, -0.00058275 ], [ -0.00051991, -0.0002003, 0.00012781 ], [ -0.00185054, -0.00071295, 0.00045493 ] ]

1.504444

3.280901

pbe

true

1c81991dea2d51ffab5d677426cbb1ab_42_Be1Co1Cl1

[ "Ba", "Er", "Mo", "O", "Sr" ]

20

A12B3C2D2E

Ba3Er2Mo2O12Sr

Ba3 Sr1 Er2 Mo2 O12

5

[ 1, 1, 1 ]

3

[ [ 5.98650583, 0.06173864, 0.06710605 ], [ 2.98985635, 5.18946542, 0.07307898 ], [ 2.99025495, 1.7649203, 9.76024741 ] ]

agm003225168

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[{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}]

[ "Ba", "Ba", "Ba", "Sr", "Er", "Er", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.15, 0.1, 0.1, 0.6, 0.05 ]

[ [ 0.6934479, 0.06140424, 0.04886167 ], [ 0.0614041, 0.67528486, 0.02911401 ], [ 0.0488618, 0.02911389, 0.63891053 ] ]

-144.87596

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2

-0.002124

pbe

true

be1e141687a68a8e0a56d5703d703a95_1_Ba3Sr1Er2Mo2O12

[ "Mn", "Na", "O", "Si", "Ti" ]

32

A18B6C6DE

MnNa6O18Si6Ti

Mn1 Na6 O18 Si6 Ti1

5

[ 1, 1, 1 ]

3

[ [ 7.34819843, -0.01262694, -0.01223002 ], [ 0.2297286, 7.34461649, -0.01223002 ], [ 0.2297286, 0.22227382, 7.34126363 ] ]

mp-40374

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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Na", "Na", "Na", "Na", "Na", "Na", "Ti", "Mn", "Si", "Si", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-10-23 03:19:53

[ 0.03125, 0.1875, 0.5625, 0.1875, 0.03125 ]

[ [ -0.66839481, 0.06909457, 0.06692266 ], [ 0.06909457, -0.67295468, 0.06475064 ], [ 0.06692266, 0.06475064, -0.67709169 ] ]

-224.702352

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[ [ -0.00067837, -0.00065635, -0.01083812 ], [ -0.01087002, -0.00032004, -0.00030998 ], [ -0.01677133, 0.01455928, -0.01670038 ], [ -0.01677133, -0.01622702, 0.01508507 ], [ -0.00067837, -0.01085355, -0.00030998 ], [ 0.01399823, -0.01724238, -0.01670038 ], [ 0.02459131, 0.02379322, 0.02304531 ], [ -0.01796097, -0.01737806, -0.0168318 ], [ -0.00659658, -0.00638249, 0.00395059 ], [ -0.00659658, 0.00374479, -0.00650537 ], [ 0.00512578, 0.00065253, 0.00063202 ], [ 0.0035252, -0.0067165, -0.00650537 ], [ 0.00082123, 0.00510147, 0.00063202 ], [ 0.00082123, 0.00079457, 0.00507869 ], [ 0.00863015, 0.0001835, 0.00017773 ], [ 0.00374943, 0.00763308, 0.00338576 ], [ 0.00374943, 0.00362774, 0.00752109 ], [ -0.00578835, 0.00921474, -0.00589771 ], [ -0.00578835, -0.00560049, 0.00939835 ], [ 0.00385809, -0.00285984, 0.00451877 ], [ 0.00385809, 0.00442516, -0.00300266 ], [ -0.0011497, -0.00217505, -0.00210668 ], [ -0.00273105, 0.00395031, 0.00451877 ], [ -0.00273105, 0.00464259, 0.00380402 ], [ 0.00901883, -0.00608911, -0.00589771 ], [ 0.00454999, 0.00371005, -0.00300266 ], [ 0.00454999, -0.00288268, 0.00380402 ], [ -0.00221178, -0.00214, -0.00100953 ], [ -0.00221178, -0.00107734, -0.00210668 ], [ 0.00046802, 0.00861941, 0.00017773 ], [ 0.00046802, 0.00045284, 0.00860934 ], [ 0.00775259, 0.00349564, 0.00338576 ] ]

4.764

2.026342

pbe

true

dd6332cc2c6e3ac0e775cd598956190c_160_Na6Ti1Mn1Si6O18

[ "Mo", "S", "Se", "Te", "W" ]

12

A2BCDE

MoS2SeTeW

Mo2 S4 Se2 Te2 W2

5

[ 1, 1, 1 ]

3

[ [ 3.31107952, 0.00006162, -0.00000135 ], [ -1.6554864, 2.86731868, -0.00000914 ], [ -0.00001539, -0.00012583, 37.74017797 ] ]

mp-1027759

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[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Te", "Te", "Mo", "Mo", "W", "W", "Se", "Se", "S", "S", "S", "S" ]

2017-05-17 13:12:35

[ 0.16666666666666666, 0.3333333333333333, 0.16666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[]

-83.858657

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12

A4B3C2D2E

Mo3S4Se2Te2W

Mo3 S4 Se2 Te2 W1

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2017-05-17 06:10:16

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H1 Ru4

2

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agm006182729

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2023-11-16 06:57:59

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A6B2CD

K2O6RuTl

K2 Tl1 Ru1 O6

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3

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2023-11-16 06:57:59

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Hf2 Np1 Sb1

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agm001222441

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[ "Np", "Sb", "Hf", "Hf" ]

2023-11-16 06:57:59

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K2O21S6Si

K8 O84 S24 Si4

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2019-10-23 02:16:03

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2023-11-16 06:57:59

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2024-11-01 00:00:00

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2023-11-16 06:57:59

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