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{
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"results": [
{
"id": "mp-1093566",
"created_at": "2022-09-04T14:45:55.461439Z",
"structure_string": "Ba1 Sr1 Ca2\n1.0\n-7.573049 7.701679 10.711418\n7.573049 -7.701679 10.711418\n7.573049 7.701679 -10.711418\nBa Sr Ca\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.268036 0.000000 0.268036 Ca\n0.731964 0.000000 0.731964 Ca\n",
"nsites": 4,
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"density": 0.20273672945833696,
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"volume": 2498.982065018342,
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"formula_full": "Ba1 Sr1 Ca2",
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{
"id": "mp-1095925",
"created_at": "2022-09-04T14:43:23.984655Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n-6.997653 7.122970 9.858401\n6.997653 -7.122970 9.858401\n6.997653 7.122970 -9.858401\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.245361 0.000000 0.245361 Mg\n0.754639 0.000000 0.754639 Mg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ba-Ca-Mg",
"density": 0.19094415626185626,
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"volume": 1965.5314123513276,
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"formula_full": "Ba1 Ca1 Mg2",
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"updated_at": "2021-11-28T01:36:19.756000Z",
"spacegroup": 71
},
{
"id": "mp-1093855",
"created_at": "2022-09-04T14:47:26.227906Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n-6.474925 6.793823 9.155077\n6.474925 -6.793823 9.155077\n6.474925 6.793823 -9.155077\nCa Mg Cd\n2 1 1\ndirect\n0.250538 0.000000 0.250538 Ca\n0.749462 0.000000 0.749462 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.2235535748613668,
"density_atomic": 0.0024830703745648873,
"volume": 1610.9088332629021,
"volume_molar": 242.52799363591416,
"formula_full": "Ca2 Mg1 Cd1",
"formula_reduced": "Ca2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.35224896,
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"energy_uncorrected": -1.35224896,
"band_gap": 0.0908999999999999,
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"total_magnetization": 0.0005733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.090000Z",
"spacegroup": 71
},
{
"id": "mp-1097478",
"created_at": "2022-09-04T14:39:08.964033Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n-6.908156 7.372628 9.830375\n6.908156 -7.372628 9.830375\n6.908156 7.372628 -9.830375\nBa Cd Hg\n2 1 1\ndirect\n0.748705 0.000000 0.748705 Ba\n0.251295 0.000000 0.251295 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 0.48725577939326753,
"density_atomic": 0.0019973099118658424,
"volume": 2002.6937112945527,
"volume_molar": 301.512585714565,
"formula_full": "Ba2 Cd1 Hg1",
"formula_reduced": "Ba2CdHg",
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"energy": -1.35105391,
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"energy_uncorrected": -1.35105391,
"band_gap": 0.0559999999999998,
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"is_magnetic": false,
"total_magnetization": 9.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.268000Z",
"spacegroup": 71
},
{
"id": "mp-1096400",
"created_at": "2022-09-04T14:41:04.581115Z",
"structure_string": "Cs2 Cd1 Hg1\n1.0\n-7.080677 7.851528 10.057049\n7.080677 -7.851528 10.057049\n7.080677 7.851528 -10.057049\nCs Cd Hg\n2 1 1\ndirect\n0.749053 0.000000 0.749053 Cs\n0.250947 0.000000 0.250947 Cs\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Cd-Cs-Hg",
"density": 0.42976102505157343,
"density_atomic": 0.0017885474503379396,
"volume": 2236.4517079176258,
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"formula_full": "Cs2 Cd1 Hg1",
"formula_reduced": "Cs2CdHg",
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"energy_uncorrected": -1.34018714,
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"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.317000Z",
"spacegroup": 71
},
{
"id": "mp-1096403",
"created_at": "2022-09-04T14:41:05.401929Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 0.32447205095369036,
"density_atomic": 0.0025622159759571767,
"volume": 1561.1486453657385,
"volume_molar": 235.036422241895,
"formula_full": "Ca2 Mg1 Hg1",
"formula_reduced": "Ca2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.32382565,
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"band_gap": 0.2777000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.725000Z",
"spacegroup": 71
},
{
"id": "mp-1210037",
"created_at": "2022-09-04T14:40:27.517399Z",
"structure_string": "Yb4 Zn50 Rh2\n1.0\n-14.358743 -14.358743 -0.000000\n-14.358743 0.000000 -14.358743\n-0.000000 -14.358743 -14.358743\nYb Zn Rh\n4 50 2\ndirect\n0.875000 0.875000 0.875000 Yb\n0.375000 0.875000 0.875000 Yb\n0.875000 0.375000 0.875000 Yb\n0.875000 0.875000 0.375000 Yb\n0.513482 0.513482 0.245233 Zn\n0.727803 0.245233 0.513482 Zn\n0.245233 0.727803 0.513482 Zn\n0.513482 0.245233 0.513482 Zn\n0.022197 0.236518 0.504767 Zn\n0.236518 0.236518 0.504767 Zn\n0.513482 0.513482 0.727803 Zn\n0.245233 0.513482 0.727803 Zn\n0.236518 0.504767 0.236518 Zn\n0.022197 0.504767 0.236518 Zn\n0.727803 0.513482 0.245233 Zn\n0.236518 0.022197 0.236518 Zn\n0.504767 0.022197 0.236518 Zn\n0.513482 0.727803 0.513482 Zn\n0.504767 0.236518 0.022197 Zn\n0.236518 0.236518 0.022197 Zn\n0.245233 0.513482 0.513482 Zn\n0.513482 0.245233 0.727803 Zn\n0.727803 0.513482 0.513482 Zn\n0.513482 0.727803 0.245233 Zn\n0.236518 0.504767 0.022197 Zn\n0.504767 0.236518 0.236518 Zn\n0.236518 0.022197 0.504767 Zn\n0.022197 0.236518 0.236518 Zn\n-0.000000 -0.000000 -0.000000 Zn\n0.750000 0.750000 0.750000 Zn\n0.201596 0.680195 0.680195 Zn\n0.438013 0.680195 0.680195 Zn\n0.680195 0.438013 0.201596 Zn\n0.680195 0.680195 0.201596 Zn\n0.311987 0.069805 0.069805 Zn\n0.548404 0.069805 0.069805 Zn\n0.680195 0.201596 0.438013 Zn\n0.680195 0.680195 0.438013 Zn\n0.438013 0.201596 0.680195 Zn\n0.069805 0.311987 0.548404 Zn\n0.201596 0.438013 0.680195 Zn\n0.069805 0.548404 0.311987 Zn\n0.680195 0.201596 0.680195 Zn\n0.311987 0.069805 0.548404 Zn\n0.069805 0.069805 0.548404 Zn\n0.201596 0.680195 0.438013 Zn\n0.069805 0.548404 0.069805 Zn\n0.311987 0.548404 0.069805 Zn\n0.438013 0.680195 0.201596 Zn\n0.069805 0.311987 0.069805 Zn\n0.548404 0.311987 0.069805 Zn\n0.680195 0.438013 0.680195 Zn\n0.548404 0.069805 0.311987 Zn\n0.069805 0.069805 0.311987 Zn\n0.500000 0.500000 0.500000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Rh"
],
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"density": 1.1690724061493698,
"density_atomic": 0.009458205903151268,
"volume": 5920.784615329851,
"volume_molar": 63.67106850564073,
"formula_full": "Yb4 Zn50 Rh2",
"formula_reduced": "Yb2Zn25Rh",
"formula_anonymous": "AB2C25",
"energy": -18.43172246,
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"updated_at": "2021-11-28T01:34:58.963000Z",
"spacegroup": 227
},
{
"id": "mp-1097359",
"created_at": "2022-09-04T14:46:10.959591Z",
"structure_string": "Ba1 Ca1 Hg2\n1.0\n-6.723908 6.898591 9.529650\n6.723908 -6.898591 9.529650\n6.723908 6.898591 -9.529650\nBa Ca Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.238050 0.000000 0.238050 Hg\n0.761950 0.000000 0.761950 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5433718880158018,
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"volume": 1768.1499853758,
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"formula_full": "Ba1 Ca1 Hg2",
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"formula_anonymous": "ABC2",
"energy": -1.30704917,
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"updated_at": "2021-11-28T01:37:26.776000Z",
"spacegroup": 71
},
{
"id": "mp-1096276",
"created_at": "2022-09-04T14:39:23.878546Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-6.950984 7.205083 9.826013\n6.950984 -7.205083 9.826013\n6.950984 7.205083 -9.826013\nBa Mg Cd\n2 1 1\ndirect\n0.739462 0.000000 0.739462 Ba\n0.260538 0.000000 0.260538 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"volume": 1968.441908362982,
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"formula_full": "Ba2 Mg1 Cd1",
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"updated_at": "2021-11-28T01:34:40.109000Z",
"spacegroup": 71
},
{
"id": "mp-1097603",
"created_at": "2022-09-04T14:47:56.378380Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"volume": 1736.0232145382915,
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"formula_full": "Ba2 Mg1 Zn1",
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"updated_at": "2021-11-28T01:38:21.682000Z",
"spacegroup": 71
},
{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Sr-Zn",
"density": 0.3161459496254937,
"density_atomic": 0.0021569992749181795,
"volume": 1854.42806889758,
"volume_molar": 279.19067150490514,
"formula_full": "Sr2 Zn1 Cd1",
"formula_reduced": "Sr2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.29006656,
"energy_per_atom": -0.32251664,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-1095881",
"created_at": "2022-09-04T14:39:27.446377Z",
"structure_string": "Ba1 Sr1 Cd2\n1.0\n-7.039475 7.532108 9.767602\n7.039475 -7.532108 9.767602\n7.039475 7.532108 -9.767602\nBa Sr Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.247223 0.000000 0.247223 Cd\n0.752777 0.000000 0.752777 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.3605237337973591,
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"volume": 2071.5945315972044,
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"formula_full": "Ba1 Sr1 Cd2",
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"updated_at": "2021-11-28T01:34:36.355000Z",
"spacegroup": 71
}
]
}