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{
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{
"id": "mp-1095868",
"created_at": "2022-09-04T14:48:28.157125Z",
"structure_string": "Mg2 Ga1 Au1\n1.0\n-5.287244 5.626722 7.898679\n5.287244 -5.626722 7.898679\n5.287244 5.626722 -7.898679\nMg Ga Au\n2 1 1\ndirect\n0.000000 0.255904 0.255904 Mg\n0.000000 0.744096 0.744096 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Mg2 Ga1 Au1",
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{
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"structure_string": "Mn2 O4\n1.0\n0.000000 8.623259 14.441273\n2.081478 0.000000 14.441273\n2.081478 8.623259 0.000000\nMn O\n2 4\ndirect\n0.499969 0.000031 0.000031 Mn\n0.249969 0.750031 0.750031 Mn\n0.461737 0.112194 0.887775 O\n0.137806 0.788263 0.711705 O\n0.538295 0.887775 0.112194 O\n0.362225 0.711705 0.788263 O\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:14.333000Z",
"spacegroup": 43
},
{
"id": "mp-1096057",
"created_at": "2022-09-04T14:44:04.300054Z",
"structure_string": "Sc2 Tl1 Cu1\n1.0\n-5.469016 5.909638 8.254657\n5.469016 -5.909638 8.254657\n5.469016 5.909638 -8.254657\nSc Tl Cu\n2 1 1\ndirect\n0.000000 0.232619 0.232619 Sc\n0.000000 0.767381 0.767381 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cu-Sc-Tl",
"density": 0.5568141341558951,
"density_atomic": 0.003748270245432297,
"volume": 1067.1589128010353,
"volume_molar": 160.66452965441,
"formula_full": "Sc2 Tl1 Cu1",
"formula_reduced": "Sc2TlCu",
"formula_anonymous": "ABC2",
"energy": -10.73656072,
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"energy_uncorrected": -10.73656072,
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"updated_at": "2021-11-28T01:36:25.999000Z",
"spacegroup": 71
},
{
"id": "mp-1097663",
"created_at": "2022-09-04T14:42:57.240586Z",
"structure_string": "Mg1 Co2 Sn1\n1.0\n-5.076253 5.202498 7.370485\n5.076253 -5.202498 7.370485\n5.076253 5.202498 -7.370485\nMg Co Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.259863 0.259863 Co\n0.000000 0.740137 0.740137 Co\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Co",
"Sn"
],
"chemical_system": "Co-Mg-Sn",
"density": 0.5563921040412932,
"density_atomic": 0.005137463533826086,
"volume": 778.5943342786185,
"volume_molar": 117.22011689910835,
"formula_full": "Mg1 Co2 Sn1",
"formula_reduced": "MgCo2Sn",
"formula_anonymous": "ABC2",
"energy": -10.90692538,
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"updated_at": "2021-11-28T01:36:03.954000Z",
"spacegroup": 71
},
{
"id": "mp-1097464",
"created_at": "2022-09-04T14:47:07.532991Z",
"structure_string": "Hf1 Mg1 Zn2\n1.0\n-5.584692 5.618520 7.933105\n5.584692 -5.618520 7.933105\n5.584692 5.618520 -7.933105\nHf Mg Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251739 0.251739 Zn\n0.000000 0.748261 0.748261 Zn\n",
"nsites": 4,
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"elements": [
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"density": 0.556375133669117,
"density_atomic": 0.0040173127204001305,
"volume": 995.6904723119472,
"volume_molar": 149.90470444133572,
"formula_full": "Hf1 Mg1 Zn2",
"formula_reduced": "HfMgZn2",
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"energy": -5.75232716,
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"energy_above_hull": null,
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"energy_uncorrected": -5.75232716,
"band_gap": 0.2711000000000001,
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"updated_at": "2021-11-28T01:37:52.586000Z",
"spacegroup": 71
},
{
"id": "mp-1096509",
"created_at": "2022-09-04T14:45:21.940253Z",
"structure_string": "Sc2 Tc1 Rh1\n1.0\n-4.581340 5.779098 8.198812\n4.581340 -5.779098 8.198812\n4.581340 5.779098 -8.198812\nSc Tc Rh\n2 1 1\ndirect\n0.000000 0.251086 0.251086 Sc\n0.000000 0.748914 0.748914 Sc\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Tc",
"Rh"
],
"chemical_system": "Rh-Sc-Tc",
"density": 0.5561678355967349,
"density_atomic": 0.004606769565496078,
"volume": 868.2874068543217,
"volume_molar": 130.72372460530286,
"formula_full": "Sc2 Tc1 Rh1",
"formula_reduced": "Sc2TcRh",
"formula_anonymous": "ABC2",
"energy": -20.66067225,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.412000Z",
"spacegroup": 71
},
{
"id": "mp-1097092",
"created_at": "2022-09-04T14:40:13.642990Z",
"structure_string": "Y2 Ag1 Rh1\n1.0\n-5.417137 6.146092 8.719182\n5.417137 -6.146092 8.719182\n5.417137 6.146092 -8.719182\nY Ag Rh\n2 1 1\ndirect\n0.000000 0.222580 0.222580 Y\n0.000000 0.777420 0.777420 Y\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
"chemical_system": "Ag-Rh-Y",
"density": 0.5556879334636634,
"density_atomic": 0.003444731536602405,
"volume": 1161.1935378700848,
"volume_molar": 174.82177336640103,
"formula_full": "Y2 Ag1 Rh1",
"formula_reduced": "Y2AgRh",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -16.09310622,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:53.645000Z",
"spacegroup": 71
},
{
"id": "mp-1097374",
"created_at": "2022-09-04T14:39:27.521561Z",
"structure_string": "La2 In1 Ga1\n1.0\n-5.808876 6.479900 9.180947\n5.808876 -6.479900 9.180947\n5.808876 6.479900 -9.180947\nLa In Ga\n2 1 1\ndirect\n0.000000 0.238372 0.238372 La\n0.000000 0.761628 0.761628 La\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.5554102630162123,
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"volume": 1382.3177388169518,
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"formula_full": "La2 In1 Ga1",
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"updated_at": "2021-11-28T01:34:36.634000Z",
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{
"id": "mp-1096736",
"created_at": "2022-09-04T14:39:34.237289Z",
"structure_string": "Zr2 Al1 Tc1\n1.0\n-5.080639 5.645329 8.020977\n5.080639 -5.645329 8.020977\n5.080639 5.645329 -8.020977\nZr Al Tc\n2 1 1\ndirect\n0.000000 0.278712 0.278712 Zr\n0.000000 0.721288 0.721288 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"density": 0.5547532227101187,
"density_atomic": 0.00434675472056734,
"volume": 920.2267570041124,
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"formula_full": "Zr2 Al1 Tc1",
"formula_reduced": "Zr2AlTc",
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"updated_at": "2021-11-28T01:34:33.010000Z",
"spacegroup": 71
},
{
"id": "mp-1261855",
"created_at": "2022-09-04T14:40:12.894656Z",
"structure_string": "Al2 Fe1 Rh1\n1.0\n-8.315235 0.000000 -4.800803\n-8.247817 -0.686320 4.684031\n-5.197484 7.941327 -0.599301\nAl Fe Rh\n2 1 1\ndirect\n0.743052 0.000000 0.000000 Al\n0.256948 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Rh\n",
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"updated_at": "2021-11-28T01:34:46.270000Z",
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{
"id": "mp-1096131",
"created_at": "2022-09-04T14:43:43.360132Z",
"structure_string": "Hf1 Sc1 Zn2\n1.0\n-5.663266 5.697242 8.231377\n5.663266 -5.697242 8.231377\n5.663266 5.697242 -8.231377\nHf Sc Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.253889 0.253889 Zn\n0.000000 0.746111 0.746111 Zn\n",
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"formula_full": "Hf1 Sc1 Zn2",
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"updated_at": "2021-11-28T01:36:14.560000Z",
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{
"id": "mp-1096451",
"created_at": "2022-09-04T14:40:38.534035Z",
"structure_string": "Al2 Fe1 Rh1\n1.0\n-4.809789 4.864242 6.818252\n4.809789 -4.864242 6.818252\n4.809789 4.864242 -6.818252\nAl Fe Rh\n2 1 1\ndirect\n0.000000 0.257465 0.257465 Al\n0.000000 0.742535 0.742535 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Rh\n",
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"volume": 638.0786860236753,
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"formula_full": "Al2 Fe1 Rh1",
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"energy_uncorrected": -14.35109622,
"band_gap": 0.0377999999999998,
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"updated_at": "2021-11-28T01:35:04.468000Z",
"spacegroup": 71
}
]
}