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{
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"results": [
{
"id": "mp-1097195",
"created_at": "2022-09-04T14:39:06.463512Z",
"structure_string": "Sr1 Ca1 Cd2\n1.0\n-6.700021 7.196469 9.467469\n6.700021 -7.196469 9.467469\n6.700021 7.196469 -9.467469\nSr Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245277 0.000000 0.245277 Cd\n0.754723 0.000000 0.754723 Cd\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:36:00.155000Z",
"spacegroup": 139
},
{
"id": "mp-1097624",
"created_at": "2022-09-04T14:47:23.852238Z",
"structure_string": "Sr1 Ca1 Zn2\n1.0\n-6.365359 6.870851 9.002936\n6.365359 -6.870851 9.002936\n6.365359 6.870851 -9.002936\nSr Ca Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245462 0.000000 0.245462 Zn\n0.754538 0.000000 0.754538 Zn\n",
"nsites": 4,
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"elements": [
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"volume": 1574.989225946418,
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"formula_full": "Sr1 Ca1 Zn2",
"formula_reduced": "SrCaZn2",
"formula_anonymous": "ABC2",
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"band_gap": 0.4475,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 71
},
{
"id": "mp-1226757",
"created_at": "2022-09-04T14:42:45.577913Z",
"structure_string": "Cd1 Hg2\n1.0\n0.000000 0.000000 -3.388909\n-1.996539 1.996539 1.694455\n6.080794 6.080794 1.694455\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.664943 0.000000 0.329885 Hg\n0.335057 0.000000 0.670115 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.364265035824195,
"density_atomic": 0.03645803544527595,
"volume": 82.28638661847386,
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"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy": -1.38860744,
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"band_gap": 0.0,
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"total_magnetization": 8.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.916000Z",
"spacegroup": 69
},
{
"id": "mp-1097243",
"created_at": "2022-09-04T14:47:01.446076Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-6.776174 7.248446 9.558704\n6.776174 -7.248446 9.558704\n6.776174 7.248446 -9.558704\nK Ba Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ba\n0.752628 0.000000 0.752628 Hg\n0.247372 0.000000 0.247372 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 0.5107305133177036,
"density_atomic": 0.002129960402156392,
"volume": 1877.9691847559052,
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"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy": -1.37969846,
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"energy_uncorrected": -1.37969846,
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"updated_at": "2021-11-28T01:37:45.963000Z",
"spacegroup": 71
},
{
"id": "mp-1097376",
"created_at": "2022-09-04T14:39:17.349016Z",
"structure_string": "Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.24413839556478645,
"density_atomic": 0.0014616413324847755,
"volume": 2736.6494851373973,
"volume_molar": 412.0122102569734,
"formula_full": "Ba2 Sr1 Ca1",
"formula_reduced": "Ba2SrCa",
"formula_anonymous": "ABC2",
"energy": -1.36926461,
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"band_gap": 0.0,
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"total_magnetization": 2.2780704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.477000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
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"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.20273672945833696,
"density_atomic": 0.0016006517437613707,
"volume": 2498.982065018342,
"volume_molar": 376.23054380639815,
"formula_full": "Ba1 Sr1 Ca2",
"formula_reduced": "BaSrCa2",
"formula_anonymous": "ABC2",
"energy": -1.36920169,
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"energy_above_hull": null,
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"energy_uncorrected": -1.36920169,
"band_gap": 0.0009999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.688000Z",
"spacegroup": 71
},
{
"id": "mp-1055956",
"created_at": "2022-09-04T14:47:29.168069Z",
"structure_string": "Mg1\n1.0\n1.527549 -2.645793 0.000000\n1.527549 2.645793 0.000000\n0.000000 0.000000 3.159751\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
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"chemical_system": "Mg",
"density": 1.5801956208360088,
"density_atomic": 0.03915309796461064,
"volume": 25.540763106507466,
"volume_molar": 15.381007054520284,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.36376991,
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"energy_above_hull": null,
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"energy_uncorrected": -1.36376991,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.337000Z",
"spacegroup": 191
},
{
"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": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 0.19094415626185626,
"density_atomic": 0.002035073046843284,
"volume": 1965.5314123513276,
"volume_molar": 295.9176708345325,
"formula_full": "Ba1 Ca1 Mg2",
"formula_reduced": "BaCaMg2",
"formula_anonymous": "ABC2",
"energy": -1.35665772,
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"energy_above_hull": null,
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"energy_uncorrected": -1.35665772,
"band_gap": 0.0,
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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"
],
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"density": 0.2235535748613668,
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"volume": 1610.9088332629021,
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"formula_full": "Ca2 Mg1 Cd1",
"formula_reduced": "Ca2MgCd",
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"energy": -1.35224896,
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"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,
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"elements": [
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],
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"density": 0.48725577939326753,
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"volume": 2002.6937112945527,
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"formula_full": "Ba2 Cd1 Hg1",
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"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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],
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"density": 0.42976102505157343,
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"volume": 2236.4517079176258,
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"formula_full": "Cs2 Cd1 Hg1",
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"formula_anonymous": "ABC2",
"energy": -1.34018714,
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"total_magnetization": 1.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.317000Z",
"spacegroup": 71
}
]
}