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{
"id": "mp-1101100",
"created_at": "2022-09-04T14:42:15.609054Z",
"structure_string": "Ti3 S4\n1.0\n12.577097 0.000000 0.000000\n-6.288549 10.892086 0.000000\n0.000000 0.000000 6.460158\nTi S\n3 4\ndirect\n0.333333 0.666667 0.724841 Ti\n0.666667 0.333333 0.525682 Ti\n0.666667 0.333333 0.225700 Ti\n0.000000 0.000000 0.727123 S\n0.000000 0.000000 0.021638 S\n0.333333 0.666667 0.399341 S\n0.666667 0.333333 0.875676 S\n",
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{
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"elements": [
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"chemical_system": "Ru-Si-Tc",
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{
"id": "mp-1093652",
"created_at": "2022-09-04T14:43:20.996965Z",
"structure_string": "In2 Ga1 Sn1\n1.0\n-5.462623 6.570799 9.485063\n5.462623 -6.570799 9.485063\n5.462623 6.570799 -9.485063\nIn Ga Sn\n2 1 1\ndirect\n0.000000 0.250806 0.250806 In\n0.000000 0.749194 0.749194 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-In-Sn",
"density": 0.5097737173787009,
"density_atomic": 0.002937246323323564,
"volume": 1361.8197317118113,
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"formula_full": "In2 Ga1 Sn1",
"formula_reduced": "In2GaSn",
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"energy": -7.77724597,
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"updated_at": "2021-11-28T01:36:12.527000Z",
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{
"id": "mp-1097467",
"created_at": "2022-09-04T14:39:42.461251Z",
"structure_string": "Sc1 Zn1 Ag2\n1.0\n-5.509154 5.818952 8.284438\n5.509154 -5.818952 8.284438\n5.509154 5.818952 -8.284438\nSc Zn Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.251010 0.251010 Ag\n0.000000 0.748990 0.748990 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
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"chemical_system": "Ag-Sc-Zn",
"density": 0.5097402326553523,
"density_atomic": 0.0037653665535040994,
"volume": 1062.3135737681496,
"volume_molar": 159.93504681226102,
"formula_full": "Sc1 Zn1 Ag2",
"formula_reduced": "ScZnAg2",
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"energy": -7.29092001,
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"energy_uncorrected": -7.29092001,
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"updated_at": "2021-11-28T01:34:29.102000Z",
"spacegroup": 71
},
{
"id": "mp-1096145",
"created_at": "2022-09-04T14:45:15.652754Z",
"structure_string": "Y2 Zn1 Tc1\n1.0\n-5.534627 5.980866 8.395310\n5.534627 -5.980866 8.395310\n5.534627 5.980866 -8.395310\nY Zn Tc\n2 1 1\ndirect\n0.000000 0.291154 0.291154 Y\n0.000000 0.708846 0.708846 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"density": 0.5097242655702863,
"density_atomic": 0.0035984115583992233,
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"formula_full": "Y2 Zn1 Tc1",
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"band_gap": 0.0504999999999999,
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"updated_at": "2021-11-28T01:36:55.709000Z",
"spacegroup": 71
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{
"id": "mp-1097285",
"created_at": "2022-09-04T14:39:19.955981Z",
"structure_string": "Cs2 Ag1 Au1\n1.0\n-6.847659 6.934044 9.804283\n6.847659 -6.934044 9.804283\n6.847659 6.934044 -9.804283\nCs Ag Au\n2 1 1\ndirect\n0.000000 0.255242 0.255242 Cs\n0.000000 0.744758 0.744758 Cs\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
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"elements": [
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"Au"
],
"chemical_system": "Ag-Au-Cs",
"density": 0.5088749556273646,
"density_atomic": 0.0021481046885357367,
"volume": 1862.1066381669762,
"volume_molar": 280.346707129298,
"formula_full": "Cs2 Ag1 Au1",
"formula_reduced": "Cs2AgAu",
"formula_anonymous": "ABC2",
"energy": -6.82164255,
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"energy_uncorrected": -6.82164255,
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"is_magnetic": false,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.510000Z",
"spacegroup": 71
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{
"id": "mp-1097580",
"created_at": "2022-09-04T14:47:19.195016Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n-5.634010 5.897992 8.347853\n5.634010 -5.897992 8.347853\n5.634010 5.897992 -8.347853\nLi Tl Sb\n2 1 1\ndirect\n0.000000 0.241484 0.241484 Li\n0.000000 0.758516 0.758516 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"Tl",
"Sb"
],
"chemical_system": "Li-Sb-Tl",
"density": 0.5088663735075998,
"density_atomic": 0.003604984605971984,
"volume": 1109.574779701871,
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"formula_full": "Li2 Tl1 Sb1",
"formula_reduced": "Li2TlSb",
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"updated_at": "2021-11-28T01:38:02.272000Z",
"spacegroup": 71
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{
"id": "mp-1093697",
"created_at": "2022-09-04T14:40:17.002776Z",
"structure_string": "La1 Y1 Cd2\n1.0\n-6.332418 6.427821 9.073010\n6.332418 -6.427821 9.073010\n6.332418 6.427821 -9.073010\nLa Y Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.249119 0.249119 Cd\n0.000000 0.750881 0.750881 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.5088044353917441,
"density_atomic": 0.002707791755410577,
"volume": 1477.218472213528,
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"formula_full": "La1 Y1 Cd2",
"formula_reduced": "LaYCd2",
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"updated_at": "2021-11-28T01:35:00.241000Z",
"spacegroup": 71
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{
"id": "mp-1096186",
"created_at": "2022-09-04T14:40:37.059802Z",
"structure_string": "Ca2 Tl1 Hg1\n1.0\n-6.319620 6.663025 9.402566\n6.319620 -6.663025 9.402566\n6.319620 6.663025 -9.402566\nCa Tl Hg\n2 1 1\ndirect\n0.000000 0.259645 0.259645 Ca\n0.000000 0.740355 0.740355 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5086719774008752,
"density_atomic": 0.0025257548860761186,
"volume": 1583.6849498148222,
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"formula_full": "Ca2 Tl1 Hg1",
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"updated_at": "2021-11-28T01:35:04.103000Z",
"spacegroup": 71
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{
"id": "mp-1096041",
"created_at": "2022-09-04T14:47:01.207030Z",
"structure_string": "Y1 Cd2 Ag1\n1.0\n-6.037173 6.354821 8.972139\n6.037173 -6.354821 8.972139\n6.037173 6.354821 -8.972139\nY Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.271530 0.271530 Cd\n0.000000 0.728470 0.728470 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.5084552114643599,
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"volume": 1376.8699692014436,
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"formula_full": "Y1 Cd2 Ag1",
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"updated_at": "2021-11-28T01:37:49.404000Z",
"spacegroup": 71
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{
"id": "mp-1097672",
"created_at": "2022-09-04T14:46:17.481860Z",
"structure_string": "Cs2 Hg1 Te1\n1.0\n-6.813197 7.486997 9.517215\n6.813197 -7.486997 9.517215\n6.813197 7.486997 -9.517215\nCs Hg Te\n2 1 1\ndirect\n0.220527 0.000000 0.220527 Cs\n0.779473 0.000000 0.779473 Cs\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"density": 0.5079345161821781,
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"volume": 1941.9072241230313,
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"formula_full": "Cs2 Hg1 Te1",
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"updated_at": "2021-11-28T01:37:30.118000Z",
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{
"id": "mp-1093949",
"created_at": "2022-09-04T14:43:01.651179Z",
"structure_string": "Ba2 Tl1 Ag1\n1.0\n-6.535605 7.203527 10.191483\n6.535605 -7.203527 10.191483\n6.535605 7.203527 -10.191483\nBa Tl Ag\n2 1 1\ndirect\n0.000000 0.245613 0.245613 Ba\n0.000000 0.754387 0.754387 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"volume": 1919.2359075761062,
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"formula_full": "Ba2 Tl1 Ag1",
"formula_reduced": "Ba2TlAg",
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"band_gap": 0.0,
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"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.637000Z",
"spacegroup": 71
}
]
}