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"results": [
{
"id": "mp-1022086",
"created_at": "2022-09-04T14:40:54.211261Z",
"structure_string": "Mg12 Ga2 Cu2\n1.0\n4.837700 0.000000 0.000000\n0.000000 6.231453 0.000000\n0.000000 0.000000 10.429008\nMg Ga Cu\n12 2 2\ndirect\n0.500000 0.250408 0.084435 Mg\n0.500000 0.749592 0.084435 Mg\n0.000000 0.245128 0.912224 Mg\n0.000000 0.754872 0.912224 Mg\n0.000000 0.500000 0.172063 Mg\n0.000000 0.500000 0.669013 Mg\n0.500000 0.750408 0.584435 Mg\n0.500000 0.249592 0.584435 Mg\n0.000000 0.745128 0.412224 Mg\n0.000000 0.254872 0.412224 Mg\n0.000000 0.000000 0.672063 Mg\n0.000000 0.000000 0.169013 Mg\n0.500000 0.500000 0.832729 Ga\n0.500000 0.000000 0.332729 Ga\n0.500000 0.500000 0.332881 Cu\n0.500000 0.000000 0.832881 Cu\n",
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{
"id": "mp-1074637",
"created_at": "2022-09-04T14:44:12.275465Z",
"structure_string": "Mg8 Si4\n1.0\n3.069305 5.041789 0.000000\n-3.069305 5.041789 0.000000\n0.000000 0.166603 7.264555\nMg Si\n8 4\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.175478 0.666942 0.823209 Mg\n0.824522 0.333058 0.176791 Mg\n0.333058 0.824522 0.176791 Mg\n0.666942 0.175478 0.823209 Mg\n0.165304 0.165304 0.840197 Mg\n0.834696 0.834696 0.159803 Mg\n0.332425 0.332425 0.168132 Si\n0.667575 0.667575 0.831868 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Mg-Si",
"density": 2.2657669979368733,
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"volume": 224.8348997904657,
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"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:36:39.823000Z",
"spacegroup": 12
},
{
"id": "mp-1025341",
"created_at": "2022-09-04T14:40:42.056335Z",
"structure_string": "Si2 Ni1 Se4\n1.0\n1.739643 6.663831 0.000000\n-1.739643 6.663831 0.000000\n0.000000 2.359287 6.003605\nSi Ni Se\n2 1 4\ndirect\n0.739866 0.739866 0.279643 Si\n0.260134 0.260134 0.720357 Si\n0.000000 0.000000 0.000000 Ni\n0.871868 0.871868 0.474139 Se\n0.128132 0.128132 0.525861 Se\n0.623017 0.623017 0.011767 Se\n0.376983 0.376983 0.988233 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Ni",
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],
"chemical_system": "Ni-Se-Si",
"density": 5.1380957267720575,
"density_atomic": 0.05028886401199568,
"volume": 139.19582670092234,
"volume_molar": 11.975098022821724,
"formula_full": "Si2 Ni1 Se4",
"formula_reduced": "Si2NiSe4",
"formula_anonymous": "AB2C4",
"energy": -33.53420833,
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"updated_at": "2021-11-28T01:35:05.584000Z",
"spacegroup": 12
},
{
"id": "mp-557510",
"created_at": "2022-09-04T14:42:43.123380Z",
"structure_string": "Cu3 Te1 S3 Cl1\n1.0\n4.039986 -3.705189 0.000000\n4.039986 3.705189 0.000000\n0.641849 0.000000 5.444074\nCu Te S Cl\n3 1 3 1\ndirect\n0.229244 0.229244 0.804022 Cu\n0.229244 0.804022 0.229244 Cu\n0.804022 0.229244 0.229244 Cu\n0.747591 0.747591 0.747591 Te\n0.528203 0.028585 0.028585 S\n0.028585 0.528203 0.028585 S\n0.028585 0.028585 0.528203 S\n0.431857 0.431857 0.431857 Cl\n",
"nsites": 8,
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"elements": [
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"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Te",
"density": 4.583606581678579,
"density_atomic": 0.04908465528221796,
"volume": 162.98372585084005,
"volume_molar": 12.268886733287617,
"formula_full": "Cu3 Te1 S3 Cl1",
"formula_reduced": "Cu3TeS3Cl",
"formula_anonymous": "ABC3D3",
"energy": -33.53412106,
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"updated_at": "2021-11-28T01:36:00.604000Z",
"spacegroup": 160
},
{
"id": "mp-1224856",
"created_at": "2022-09-04T14:46:18.328356Z",
"structure_string": "Ga2 Ag2 Se1 S3\n1.0\n-5.833370 0.000000 0.000000\n0.000000 5.876003 0.036295\n-2.916684 2.905925 -5.352724\nGa Ag Se S\n2 2 1 3\ndirect\n0.758731 0.260271 0.493993 Ga\n0.502725 0.489729 0.006007 Ga\n0.243417 0.745131 0.491032 Ag\n0.984449 0.004869 0.008968 Ag\n0.406112 0.875000 0.750000 Se\n0.627275 0.586566 0.249346 S\n0.126620 0.163434 0.250654 S\n0.840671 0.375000 0.750000 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 4.783778685599677,
"density_atomic": 0.04345699717851266,
"volume": 184.0900319720113,
"volume_molar": 13.857701063104406,
"formula_full": "Ga2 Ag2 Se1 S3",
"formula_reduced": "Ga2Ag2SeS3",
"formula_anonymous": "AB2C2D3",
"energy": -33.53399549,
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"updated_at": "2021-11-28T01:37:25.418000Z",
"spacegroup": 5
},
{
"id": "mp-1026807",
"created_at": "2022-09-04T14:40:53.949089Z",
"structure_string": "La1 Mg14 C1\n1.0\n6.617683 0.366277 0.000000\n-2.991637 5.181667 0.000000\n0.000000 0.000000 10.392412\nLa Mg C\n1 14 1\ndirect\n0.102696 0.301348 0.125000 La\n0.154659 0.327329 0.625000 Mg\n0.137046 0.818522 0.625000 Mg\n0.573508 0.267616 0.125000 Mg\n0.652317 0.329436 0.625000 Mg\n0.573508 0.805891 0.125000 Mg\n0.652317 0.822880 0.625000 Mg\n0.346640 0.175134 0.382781 Mg\n0.346640 0.175134 0.867219 Mg\n0.346640 0.671507 0.382781 Mg\n0.346640 0.671507 0.867219 Mg\n0.826034 0.163017 0.386759 Mg\n0.826034 0.163017 0.863241 Mg\n0.932625 0.716313 0.278624 Mg\n0.932625 0.716313 0.971376 Mg\n0.250073 0.875036 0.125000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"C"
],
"chemical_system": "C-La-Mg",
"density": 2.21790285994119,
"density_atomic": 0.0435078152764379,
"volume": 367.7500214235065,
"volume_molar": 13.841514959408572,
"formula_full": "La1 Mg14 C1",
"formula_reduced": "LaMg14C",
"formula_anonymous": "ABC14",
"energy": -33.5327639,
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"updated_at": "2021-11-28T01:34:59.454000Z",
"spacegroup": 38
},
{
"id": "mp-1206367",
"created_at": "2022-09-04T14:42:06.481163Z",
"structure_string": "Ce3 Al1 O1\n1.0\n4.827101 0.000000 0.000000\n0.000000 4.827101 0.000000\n0.000000 0.000000 4.827101\nCe Al O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.840366415089138,
"density_atomic": 0.04445400015413479,
"volume": 112.47581730920871,
"volume_molar": 13.546904078641985,
"formula_full": "Ce3 Al1 O1",
"formula_reduced": "Ce3AlO",
"formula_anonymous": "ABC3",
"energy": -33.53084433,
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"updated_at": "2021-11-28T01:35:34.232000Z",
"spacegroup": 221
},
{
"id": "mp-1095028",
"created_at": "2022-09-04T14:47:26.952673Z",
"structure_string": "Zn3 Cr1 Se4\n1.0\n5.763504 0.000000 0.000000\n0.000000 5.763504 0.000000\n0.000000 0.000000 5.763504\nZn Cr Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.749143 0.749143 0.250857 Se\n0.749143 0.250857 0.749143 Se\n0.250857 0.749143 0.749143 Se\n0.250857 0.250857 0.250857 Se\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cr-Se-Zn",
"density": 4.892344047727683,
"density_atomic": 0.04178594134159222,
"volume": 191.45195113833867,
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"formula_full": "Zn3 Cr1 Se4",
"formula_reduced": "Zn3CrSe4",
"formula_anonymous": "AB3C4",
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"updated_at": "2021-11-28T01:38:10.866000Z",
"spacegroup": 215
},
{
"id": "mp-1186407",
"created_at": "2022-09-04T14:44:18.946205Z",
"structure_string": "Pa1 Sn1 Ru2\n1.0\n0.000000 3.359181 3.359181\n3.359181 0.000000 3.359181\n3.359181 3.359181 0.000000\nPa Sn Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"formula_full": "Pa1 Sn1 Ru2",
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{
"id": "mp-1110723",
"created_at": "2022-09-04T14:43:54.414968Z",
"structure_string": "Rb2 Cu1 Bi1 Br6\n1.0\n0.000000 5.544662 5.544662\n5.544662 0.000000 5.544662\n5.544662 5.544662 0.000000\nRb Cu Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739725 0.260275 0.260275 Br\n0.260275 0.260275 0.739725 Br\n0.260275 0.739725 0.739725 Br\n0.260275 0.739725 0.260275 Br\n0.739725 0.260275 0.739725 Br\n0.739725 0.739725 0.260275 Br\n",
"nsites": 10,
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"elements": [
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"volume": 340.9221560841206,
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1184206",
"created_at": "2022-09-04T14:47:32.132336Z",
"structure_string": "Ga1 Si1 O3\n1.0\n3.576533 0.000000 0.000000\n0.000000 3.576533 0.000000\n0.000000 0.000000 3.576533\nGa Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"volume": 45.74953767768221,
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"formula_full": "Ga1 Si1 O3",
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"formula_anonymous": "ABC3",
"energy": -33.52867659,
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},
{
"id": "mp-1206944",
"created_at": "2022-09-04T14:41:19.614205Z",
"structure_string": "La3 Mg3 Cu3\n1.0\n3.853167 -6.673880 0.000000\n3.853167 6.673880 0.000000\n0.000000 0.000000 4.165393\nLa Mg Cu\n3 3 3\ndirect\n0.586749 0.000000 0.000000 La\n0.000000 0.586749 0.000000 La\n0.413251 0.413251 0.000000 La\n0.238958 0.000000 0.500000 Mg\n0.000000 0.238958 0.500000 Mg\n0.761042 0.761042 0.500000 Mg\n0.333333 0.666667 0.500000 Cu\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
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],
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"density": 5.272879365329728,
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"volume": 214.23094534371066,
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"formula_full": "La3 Mg3 Cu3",
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}
]
}