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{
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{
"id": "mp-1095817",
"created_at": "2022-09-04T14:45:17.366174Z",
"structure_string": "Na2 Hg1 Au1\n1.0\n-5.919935 5.954589 8.402815\n5.919935 -5.954589 8.402815\n5.919935 5.954589 -8.402815\nNa Hg Au\n2 1 1\ndirect\n0.000000 0.235932 0.235932 Na\n0.000000 0.764068 0.764068 Na\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
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{
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"elements": [
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],
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"formula_full": "Zr2 Zn1 Cd1",
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"updated_at": "2021-11-28T01:34:35.466000Z",
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{
"id": "mp-1097416",
"created_at": "2022-09-04T14:45:16.736620Z",
"structure_string": "Y2 Sn1 Pd1\n1.0\n-5.442179 6.205978 8.773974\n5.442179 -6.205978 8.773974\n5.442179 6.205978 -8.773974\nY Sn Pd\n2 1 1\ndirect\n0.000000 0.239761 0.239761 Y\n0.000000 0.760239 0.760239 Y\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pd-Sn-Y",
"density": 0.5644843729754826,
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"volume": 1185.330305753705,
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"formula_full": "Y2 Sn1 Pd1",
"formula_reduced": "Y2SnPd",
"formula_anonymous": "ABC2",
"energy": -15.442444,
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"is_stable": null,
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"band_gap": 0.1109999999999997,
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"total_magnetization": 5.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.707000Z",
"spacegroup": 71
},
{
"id": "mp-1096395",
"created_at": "2022-09-04T14:39:11.549028Z",
"structure_string": "Li1 Mg1 Pb2\n1.0\n-5.603100 6.099543 8.680429\n5.603100 -6.099543 8.680429\n5.603100 6.099543 -8.680429\nLi Mg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.247882 0.247882 Pb\n0.000000 0.752118 0.752118 Pb\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "Li-Mg-Pb",
"density": 0.6236088342107752,
"density_atomic": 0.003370801201038132,
"volume": 1186.6614972037178,
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"formula_full": "Li1 Mg1 Pb2",
"formula_reduced": "LiMgPb2",
"formula_anonymous": "ABC2",
"energy": -6.28312831,
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"energy_uncorrected": -6.28312831,
"band_gap": 0.3953000000000002,
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"updated_at": "2021-11-28T01:34:31.860000Z",
"spacegroup": 71
},
{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
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"density": 1.0203740094064706,
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"volume": 1187.6769536908666,
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"formula_full": "In1 Hg1 Pb2",
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"formula_anonymous": "ABC2",
"energy": -6.00226267,
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"energy_uncorrected": -6.00226267,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
},
{
"id": "mp-1097583",
"created_at": "2022-09-04T14:41:24.410440Z",
"structure_string": "Sc2 Al1 Tl1\n1.0\n-5.595718 6.167977 8.603863\n5.595718 -6.167977 8.603863\n5.595718 6.167977 -8.603863\nSc Al Tl\n2 1 1\ndirect\n0.000000 0.243168 0.243168 Sc\n0.000000 0.756832 0.756832 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
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"elements": [
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"Al",
"Tl"
],
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"density": 0.44913431135774395,
"density_atomic": 0.003367502665382461,
"volume": 1187.8238556778406,
"volume_molar": 178.83106142444703,
"formula_full": "Sc2 Al1 Tl1",
"formula_reduced": "Sc2AlTl",
"formula_anonymous": "ABC2",
"energy": -10.11711388,
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"energy_uncorrected": -10.11711388,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.647000Z",
"spacegroup": 71
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{
"id": "mp-1097326",
"created_at": "2022-09-04T14:40:04.980675Z",
"structure_string": "Mg1 Sc1 In2\n1.0\n-5.750991 6.057484 8.526908\n5.750991 -6.057484 8.526908\n5.750991 6.057484 -8.526908\nMg Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.249159 0.249159 In\n0.000000 0.750841 0.750841 In\n",
"nsites": 4,
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"elements": [
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"Sc",
"In"
],
"chemical_system": "In-Mg-Sc",
"density": 0.4177187728491467,
"density_atomic": 0.0033664600041921505,
"volume": 1188.191748905058,
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"formula_full": "Mg1 Sc1 In2",
"formula_reduced": "MgScIn2",
"formula_anonymous": "ABC2",
"energy": -7.08295862,
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"energy_uncorrected": -7.08295862,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.285000Z",
"spacegroup": 71
},
{
"id": "mp-1097317",
"created_at": "2022-09-04T14:46:59.154274Z",
"structure_string": "Mg2 Zn1 Hg1\n1.0\n-5.940498 5.952421 8.400709\n5.940498 -5.952421 8.400709\n5.940498 5.952421 -8.400709\nMg Zn Hg\n2 1 1\ndirect\n0.751159 0.000000 0.751159 Mg\n0.248841 0.000000 0.248841 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"Hg"
],
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"volume": 1188.2078754726585,
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"formula_full": "Mg2 Zn1 Hg1",
"formula_reduced": "Mg2ZnHg",
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"energy_uncorrected": -0.84484994,
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"total_magnetization": 8.02e-05,
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"updated_at": "2021-11-28T01:37:50.598000Z",
"spacegroup": 71
},
{
"id": "mp-1093767",
"created_at": "2022-09-04T14:39:26.282016Z",
"structure_string": "Sc2 Tl1 Mo1\n1.0\n-5.206349 6.027503 9.470115\n5.206349 -6.027503 9.470115\n5.206349 6.027503 -9.470115\nSc Tl Mo\n2 1 1\ndirect\n0.000000 0.218122 0.218122 Sc\n0.000000 0.781878 0.781878 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
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"Tl",
"Mo"
],
"chemical_system": "Mo-Sc-Tl",
"density": 0.5451167130159293,
"density_atomic": 0.0033649145098942003,
"volume": 1188.7374815135402,
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"formula_full": "Sc2 Tl1 Mo1",
"formula_reduced": "Sc2TlMo",
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"updated_at": "2021-11-28T01:34:32.629000Z",
"spacegroup": 71
},
{
"id": "mp-1096235",
"created_at": "2022-09-04T14:45:54.085149Z",
"structure_string": "Mg1 Sc2 Ga1\n1.0\n-5.838295 5.981372 8.511138\n5.838295 -5.981372 8.511138\n5.838295 5.981372 -8.511138\nMg Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.273089 0.273089 Sc\n0.000000 0.726911 0.726911 Sc\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"volume": 1188.8702852116135,
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"formula_full": "Mg1 Sc2 Ga1",
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"updated_at": "2021-11-28T01:37:07.576000Z",
"spacegroup": 71
},
{
"id": "mp-1096061",
"created_at": "2022-09-04T14:48:29.953088Z",
"structure_string": "Ca1 Bi1 Au2\n1.0\n-5.540335 6.162206 8.708026\n5.540335 -6.162206 8.708026\n5.540335 6.162206 -8.708026\nCa Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.000000 0.246209 0.246209 Au\n0.000000 0.753791 0.753791 Au\n",
"nsites": 4,
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"volume": 1189.1919107193767,
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"formula_full": "Ca1 Bi1 Au2",
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"updated_at": "2021-11-28T01:39:48.140000Z",
"spacegroup": 71
},
{
"id": "mp-1093580",
"created_at": "2022-09-04T14:42:27.252909Z",
"structure_string": "Li2 Y1 In1\n1.0\n-5.940885 5.948411 8.422858\n5.940885 -5.948411 8.422858\n5.940885 5.948411 -8.422858\nLi Y In\n2 1 1\ndirect\n0.000000 0.261052 0.261052 Li\n0.000000 0.738948 0.738948 Li\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.30349258161265436,
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"volume": 1190.6156424834112,
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"formula_full": "Li2 Y1 In1",
"formula_reduced": "Li2YIn",
"formula_anonymous": "ABC2",
"energy": -6.2595091,
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"band_gap": 0.0472999999999999,
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"updated_at": "2021-11-28T01:35:49.954000Z",
"spacegroup": 71
}
]
}