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{
"id": "mp-1097623",
"created_at": "2022-09-04T14:46:10.538743Z",
"structure_string": "Ca2 Pd1 Rh1\n1.0\n-5.069669 5.964680 8.814820\n5.069669 -5.964680 8.814820\n5.069669 5.964680 -8.814820\nCa Pd Rh\n2 1 1\ndirect\n0.000000 0.242174 0.242174 Ca\n0.000000 0.757826 0.757826 Ca\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
"id": "mp-1120742",
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"nsites": 10,
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"elements": [
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"density": 0.4499153097763054,
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"volume": 916.8521102446007,
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"formula_full": "S6 N4",
"formula_reduced": "S3N2",
"formula_anonymous": "A2B3",
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"spacegroup": 31
},
{
"id": "mp-1097582",
"created_at": "2022-09-04T14:41:46.426833Z",
"structure_string": "Y2 Mg1 Pb1\n1.0\n-6.300491 6.581998 9.107756\n6.300491 -6.581998 9.107756\n6.300491 6.581998 -9.107756\nY Mg Pb\n2 1 1\ndirect\n0.000000 0.274811 0.274811 Y\n0.000000 0.725189 0.725189 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Pb-Y",
"density": 0.4498886549604761,
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"volume": 1510.7879771307066,
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"formula_full": "Y2 Mg1 Pb1",
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"updated_at": "2021-11-28T01:35:21.272000Z",
"spacegroup": 71
},
{
"id": "mp-1093561",
"created_at": "2022-09-04T14:43:19.441116Z",
"structure_string": "Sr2 Ag1 Pd1\n1.0\n-5.892089 6.570137 9.287768\n5.892089 -6.570137 9.287768\n5.892089 6.570137 -9.287768\nSr Ag Pd\n2 1 1\ndirect\n0.000000 0.231163 0.231163 Sr\n0.000000 0.768837 0.768837 Sr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"volume": 1438.1860558849162,
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"formula_full": "Sr2 Ag1 Pd1",
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"updated_at": "2021-11-28T01:36:06.459000Z",
"spacegroup": 71
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{
"id": "mp-1097548",
"created_at": "2022-09-04T14:43:55.463269Z",
"structure_string": "Mg1 Ti1 Ni2\n1.0\n-4.700089 5.149646 7.232165\n4.700089 -5.149646 7.232165\n4.700089 5.149646 -7.232165\nMg Ti Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.279974 0.279974 Ni\n0.000000 0.720026 0.720026 Ni\n",
"nsites": 4,
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"elements": [
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"density": 0.44955338664290345,
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"volume": 700.1833423353767,
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"formula_full": "Mg1 Ti1 Ni2",
"formula_reduced": "MgTiNi2",
"formula_anonymous": "ABC2",
"energy": -12.49310851,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:24.589000Z",
"spacegroup": 71
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{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
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"density": 0.4493343026489218,
"density_atomic": 0.005828312635833888,
"volume": 686.3049822356859,
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"formula_full": "Li2 Zn1 Pd1",
"formula_reduced": "Li2ZnPd",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -5.99614272,
"band_gap": 0.0013,
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"updated_at": "2021-11-28T01:37:38.860000Z",
"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",
"nsites": 4,
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"volume": 1187.8238556778406,
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"formula_full": "Sc2 Al1 Tl1",
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"energy": -10.11711388,
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"updated_at": "2021-11-28T01:35:12.647000Z",
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{
"id": "mp-1096434",
"created_at": "2022-09-04T14:46:09.250081Z",
"structure_string": "Mg2 Tl1 In1\n1.0\n-6.183680 6.317083 8.705062\n6.183680 -6.317083 8.705062\n6.183680 6.317083 -8.705062\nMg Tl In\n2 1 1\ndirect\n0.754124 0.000000 0.754124 Mg\n0.245876 0.000000 0.245876 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"volume": 1360.1770732047326,
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"updated_at": "2021-11-28T01:37:27.574000Z",
"spacegroup": 71
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{
"id": "mp-1208450",
"created_at": "2022-09-04T14:42:18.738268Z",
"structure_string": "Th2 As3\n1.0\n8.809555 0.000000 0.000000\n0.000000 8.809555 0.000000\n0.000000 0.000000 32.845132\nTh As\n2 3\ndirect\n0.500000 0.500000 0.281916 Th\n0.500000 0.500000 0.718084 Th\n0.500000 0.500000 0.642713 As\n0.500000 0.500000 0.357287 As\n0.500000 0.500000 0.000000 As\n",
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"updated_at": "2021-11-28T01:35:44.281000Z",
"spacegroup": 123
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{
"id": "mp-1095859",
"created_at": "2022-09-04T14:41:51.930607Z",
"structure_string": "Ba2 Al1 Tl1\n1.0\n-6.341976 7.233343 10.235678\n6.341976 -7.233343 10.235678\n6.341976 7.233343 -10.235678\nBa Al Tl\n2 1 1\ndirect\n0.000000 0.246483 0.246483 Ba\n0.000000 0.753517 0.753517 Ba\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Tl\n",
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"volume": 1878.1931841152,
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"formula_full": "Ba2 Al1 Tl1",
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{
"id": "mp-1095785",
"created_at": "2022-09-04T14:44:11.220969Z",
"structure_string": "Be2 Co1 Cu1\n1.0\n-4.307939 4.593398 6.590147\n4.307939 -4.593398 6.590147\n4.307939 4.593398 -6.590147\nBe Co Cu\n2 1 1\ndirect\n0.000000 0.249631 0.249631 Be\n0.000000 0.750369 0.750369 Be\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
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"volume": 521.6253816640833,
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"updated_at": "2021-11-28T01:36:28.428000Z",
"spacegroup": 71
}
]
}