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{
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"results": [
{
"id": "mp-1247075",
"created_at": "2022-09-04T14:45:57.042595Z",
"structure_string": "Sm2 Mg2 V2 S8\n1.0\n6.733398 -0.000343 3.887652\n2.271652 6.196365 3.839981\n0.084306 0.001295 7.629286\nSm Mg V S\n2 2 2 8\ndirect\n0.500010 0.500013 0.499974 Sm\n0.000003 0.499992 0.500016 Sm\n0.877054 0.873054 0.872855 Mg\n0.122951 0.126937 0.127152 Mg\n0.499989 0.499993 0.000005 V\n0.499958 0.000030 0.500000 V\n0.707485 0.757019 0.757041 S\n0.270567 0.224869 0.733971 S\n0.270624 0.734012 0.224785 S\n0.721546 0.243006 0.242934 S\n0.729364 0.265985 0.775202 S\n0.278469 0.756985 0.757062 S\n0.292520 0.242964 0.242973 S\n0.729465 0.775136 0.266032 S\n",
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"spacegroup": 74
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{
"id": "mp-680482",
"created_at": "2022-09-04T14:45:57.089535Z",
"structure_string": "Ag2 Mo12 Br26\n1.0\n9.572348 0.000000 0.000000\n-3.827231 8.918957 0.000000\n-3.229578 -3.232086 14.043235\nAg Mo Br\n2 12 26\ndirect\n0.045443 0.275872 0.772205 Ag\n0.954557 0.724128 0.227795 Ag\n0.461688 0.320953 0.415393 Mo\n0.631324 0.456674 0.595267 Mo\n0.549014 0.985496 0.883890 Mo\n0.691516 0.997770 0.062399 Mo\n0.538312 0.679047 0.584607 Mo\n0.450986 0.014504 0.116110 Mo\n0.601432 0.215510 0.024331 Mo\n0.308484 0.002230 0.937601 Mo\n0.368676 0.543326 0.404733 Mo\n0.323844 0.388362 0.540352 Mo\n0.676156 0.611638 0.459648 Mo\n0.398568 0.784490 0.975669 Mo\n0.416141 0.168068 0.550281 Br\n0.510046 0.477815 0.283483 Br\n0.159041 0.254130 0.364040 Br\n0.257826 0.774486 0.800285 Br\n0.644338 0.777994 0.925584 Br\n0.234180 0.611299 0.528471 Br\n0.926799 0.771984 0.404866 Br\n0.744366 0.519077 0.063168 Br\n0.583859 0.831932 0.449719 Br\n0.162276 0.798824 0.029776 Br\n0.395286 0.054851 0.290757 Br\n0.818661 0.407569 0.732786 Br\n0.046025 0.016617 0.850865 Br\n0.255634 0.480923 0.936832 Br\n0.489954 0.522185 0.716517 Br\n0.181339 0.592431 0.267214 Br\n0.953975 0.983383 0.149135 Br\n0.538413 0.798042 0.152059 Br\n0.461587 0.201958 0.847941 Br\n0.073201 0.228016 0.595134 Br\n0.604714 0.945149 0.709243 Br\n0.355662 0.222006 0.074416 Br\n0.765820 0.388701 0.471529 Br\n0.742174 0.225514 0.199715 Br\n0.840959 0.745870 0.635960 Br\n0.837724 0.201176 0.970224 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"Mo",
"Br"
],
"chemical_system": "Ag-Br-Mo",
"density": 4.7706564881761055,
"density_atomic": 0.033362629989745,
"volume": 1198.9462465127958,
"volume_molar": 18.05055765043429,
"formula_full": "Ag2 Mo12 Br26",
"formula_reduced": "AgMo6Br13",
"formula_anonymous": "AB6C13",
"energy": -218.23009257,
"energy_per_atom": -5.455752314250001,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:14.463000Z",
"spacegroup": 2
},
{
"id": "mp-1390005",
"created_at": "2022-09-04T14:45:57.134105Z",
"structure_string": "Mg4 Sn4 O8\n1.0\n3.190028 0.000000 0.000000\n-0.575929 8.741340 0.000000\n-1.199012 -0.447459 8.925087\nMg Sn O\n4 4 8\ndirect\n0.067954 0.244020 0.549614 Mg\n0.932046 0.755980 0.450386 Mg\n0.422043 0.420586 0.258851 Mg\n0.577957 0.579414 0.741149 Mg\n0.556197 0.943961 0.765092 Sn\n0.982880 0.320532 0.901047 Sn\n0.017120 0.679468 0.098953 Sn\n0.443803 0.056039 0.234908 Sn\n0.962569 0.950117 0.341866 O\n0.133503 0.566788 0.876812 O\n0.866497 0.433212 0.123188 O\n0.037431 0.049883 0.658134 O\n0.481367 0.748164 0.605841 O\n0.611097 0.358551 0.684934 O\n0.518633 0.251836 0.394159 O\n0.388903 0.641449 0.315066 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.6708553433635345,
"density_atomic": 0.06428875518857134,
"volume": 248.87711627125006,
"volume_molar": 9.367331413302216,
"formula_full": "Mg4 Sn4 O8",
"formula_reduced": "MgSnO2",
"formula_anonymous": "ABC2",
"energy": -96.6674154,
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"updated_at": "2021-11-28T01:37:10.045000Z",
"spacegroup": 2
},
{
"id": "mp-17344",
"created_at": "2022-09-04T14:45:57.143862Z",
"structure_string": "Rb2 Er4 Cu6 S10\n1.0\n1.966558 -6.956809 0.000000\n1.966558 6.956809 0.000000\n0.000000 0.000000 16.433360\nRb Er Cu S\n2 4 6 10\ndirect\n0.565477 0.434523 0.750000 Rb\n0.434523 0.565477 0.250000 Rb\n0.307918 0.692082 0.592857 Er\n0.692082 0.307918 0.407143 Er\n0.307918 0.692082 0.907143 Er\n0.692082 0.307918 0.092857 Er\n0.083988 0.916012 0.963444 Cu\n0.916012 0.083988 0.036556 Cu\n0.916012 0.083988 0.463444 Cu\n0.845283 0.154717 0.750000 Cu\n0.154717 0.845283 0.250000 Cu\n0.083988 0.916012 0.536556 Cu\n0.668339 0.331661 0.569399 S\n0.331661 0.668339 0.430601 S\n0.331661 0.668339 0.069399 S\n0.668339 0.331661 0.930601 S\n0.738175 0.261825 0.250000 S\n0.261825 0.738175 0.750000 S\n0.061901 0.938099 0.113302 S\n0.061901 0.938099 0.386698 S\n0.938099 0.061901 0.886698 S\n0.938099 0.061901 0.613302 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Er",
"Cu",
"S"
],
"chemical_system": "Cu-Er-Rb-S",
"density": 5.694183065201538,
"density_atomic": 0.04892710013696428,
"volume": 449.6485575154507,
"volume_molar": 12.308395026768181,
"formula_full": "Rb2 Er4 Cu6 S10",
"formula_reduced": "RbEr2Cu3S5",
"formula_anonymous": "AB2C3D5",
"energy": -118.52362829,
"energy_per_atom": -5.387437649545455,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:11.975000Z",
"spacegroup": 63
},
{
"id": "mp-977580",
"created_at": "2022-09-04T14:46:09.103628Z",
"structure_string": "Mg1 Sc2 Al1\n1.0\n0.000000 3.461278 3.461278\n3.461278 0.000000 3.461278\n3.461278 3.461278 0.000000\nMg Sc Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"Sc",
"Al"
],
"chemical_system": "Al-Mg-Sc",
"density": 2.827087929183932,
"density_atomic": 0.0482303651199028,
"volume": 82.93530413995052,
"volume_molar": 12.48620188760482,
"formula_full": "Mg1 Sc2 Al1",
"formula_reduced": "MgSc2Al",
"formula_anonymous": "ABC2",
"energy": -19.14843671,
"energy_per_atom": -4.7871091775,
"energy_above_hull": null,
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"energy_uncorrected": -19.14843671,
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"updated_at": "2021-11-28T01:37:22.915000Z",
"spacegroup": 225
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{
"id": "mp-675742",
"created_at": "2022-09-04T14:45:57.008467Z",
"structure_string": "P6 N6 O6\n1.0\n6.448131 0.000000 0.000000\n2.481080 6.440165 0.000000\n1.740307 0.919195 6.629198\nP N O\n6 6 6\ndirect\n0.026274 0.906753 0.279671 P\n0.804072 0.190911 0.427648 P\n0.996819 0.393769 0.235834 P\n0.003181 0.606231 0.764166 P\n0.195928 0.809089 0.572352 P\n0.973726 0.093247 0.720329 P\n0.184177 0.397692 0.662774 N\n0.460031 0.639665 0.809287 N\n0.759270 0.814799 0.812549 N\n0.240730 0.185201 0.187451 N\n0.539969 0.360335 0.190713 N\n0.815823 0.602308 0.337226 N\n0.445391 0.155355 0.114488 O\n0.193312 0.198460 0.656678 O\n0.366477 0.483264 0.248873 O\n0.633523 0.516736 0.751127 O\n0.806688 0.801540 0.343322 O\n0.554609 0.844645 0.885512 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"P",
"N",
"O"
],
"chemical_system": "N-O-P",
"density": 2.206962470701052,
"density_atomic": 0.0653853824162085,
"volume": 275.290888189987,
"volume_molar": 9.210224881252909,
"formula_full": "P6 N6 O6",
"formula_reduced": "PNO",
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"energy": -110.79271633,
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{
"id": "mp-1105572",
"created_at": "2022-09-04T14:45:57.020419Z",
"structure_string": "Ce2 Co17\n1.0\n4.179903 2.413268 4.053410\n-4.179903 2.413268 4.053410\n0.000000 -4.826536 4.053410\nCe Co\n2 17\ndirect\n0.655081 0.655081 0.655081 Ce\n0.344919 0.344919 0.344919 Ce\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.284998 0.715002 0.000000 Co\n0.715002 0.000000 0.284998 Co\n0.000000 0.284998 0.715002 Co\n0.284998 0.000000 0.715002 Co\n0.000000 0.715002 0.284998 Co\n0.715002 0.284998 0.000000 Co\n0.345522 0.345522 0.853472 Co\n0.345522 0.853472 0.345522 Co\n0.853472 0.345522 0.345522 Co\n0.654478 0.654478 0.146528 Co\n0.654478 0.146528 0.654478 Co\n0.146528 0.654478 0.654478 Co\n0.902590 0.902590 0.902590 Co\n0.097410 0.097410 0.097410 Co\n",
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{
"id": "mp-1216526",
"created_at": "2022-09-04T14:45:57.040772Z",
"structure_string": "Tl1 Sb1 S2\n1.0\n4.122701 0.000000 0.000000\n0.000000 4.122701 0.000000\n0.000000 0.000000 5.826779\nTl Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:37:12.676000Z",
"spacegroup": 123
},
{
"id": "mp-25208",
"created_at": "2022-09-04T14:45:57.053897Z",
"structure_string": "Bi4 O8\n1.0\n-2.079896 3.333431 7.735515\n2.079896 -3.333431 7.735515\n2.079896 3.333431 -7.735515\nBi O\n4 8\ndirect\n0.105727 0.388164 0.717563 Bi\n0.329399 0.111836 0.217563 Bi\n0.670601 0.888164 0.782437 Bi\n0.894273 0.611836 0.282437 Bi\n0.962576 0.249564 0.713012 O\n0.977833 0.086801 0.891032 O\n0.195769 0.586801 0.608968 O\n0.463448 0.250436 0.213012 O\n0.037424 0.750436 0.286988 O\n0.022167 0.913199 0.108968 O\n0.804231 0.413199 0.391032 O\n0.536552 0.749564 0.786988 O\n",
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"volume": 214.52717488126,
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"formula_full": "Bi4 O8",
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{
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"elements": [
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],
"chemical_system": "Fe-W",
"density": 10.335993502572416,
"density_atomic": 0.08302552380769325,
"volume": 1047.870534385457,
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"formula_full": "Fe74 W13",
"formula_reduced": "Fe74W13",
"formula_anonymous": "A13B74",
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:10.411000Z",
"spacegroup": 42
},
{
"id": "mp-1205789",
"created_at": "2022-09-04T14:45:57.063460Z",
"structure_string": "La3 Cu3 Pd3\n1.0\n3.709259 -6.424625 0.000000\n3.709259 6.424625 0.000000\n0.000000 0.000000 4.030383\nLa Cu Pd\n3 3 3\ndirect\n0.599972 0.000000 0.000000 La\n0.000000 0.599972 0.000000 La\n0.400028 0.400028 0.000000 La\n0.243919 0.000000 0.500000 Cu\n0.000000 0.243919 0.500000 Cu\n0.756081 0.756081 0.500000 Cu\n0.333333 0.666667 0.500000 Pd\n0.666667 0.333333 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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],
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"formula_full": "La3 Cu3 Pd3",
"formula_reduced": "LaCuPd",
"formula_anonymous": "ABC",
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},
{
"id": "mp-1217269",
"created_at": "2022-09-04T14:45:57.089491Z",
"structure_string": "Te1 Se2\n1.0\n2.217026 3.887945 0.000000\n-2.217026 3.887945 0.000000\n0.000000 0.136974 5.351082\nTe Se\n1 2\ndirect\n0.753284 0.246716 0.500000 Te\n0.237826 0.991110 0.838118 Se\n0.008890 0.762174 0.161882 Se\n",
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],
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}
]
}