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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10",
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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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"elements": [
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"density": 0.20273672945833696,
"density_atomic": 0.0016006517437613707,
"volume": 2498.982065018342,
"volume_molar": 376.23054380639815,
"formula_full": "Ba1 Sr1 Ca2",
"formula_reduced": "BaSrCa2",
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{
"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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"formula_full": "Ba2 Sr1 Ca1",
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"updated_at": "2021-11-28T01:34:40.477000Z",
"spacegroup": 71
},
{
"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,
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"elements": [
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"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 0.5107305133177036,
"density_atomic": 0.002129960402156392,
"volume": 1877.9691847559052,
"volume_molar": 282.7348693385627,
"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy": -1.37969846,
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"energy_uncorrected": -1.37969846,
"band_gap": 0.1607,
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"total_magnetization": 0.9992037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.963000Z",
"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": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 10.364265035824195,
"density_atomic": 0.03645803544527595,
"volume": 82.28638661847386,
"volume_molar": 16.51800676160767,
"formula_full": "Cd1 Hg2",
"formula_reduced": "CdHg2",
"formula_anonymous": "AB2",
"energy": -1.38860744,
"energy_per_atom": -0.4628691466666666,
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"energy_uncorrected": -1.38860744,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 8.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.916000Z",
"spacegroup": 69
},
{
"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,
"nelements": 3,
"elements": [
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"Ca",
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],
"chemical_system": "Ca-Sr-Zn",
"density": 0.27255800247345296,
"density_atomic": 0.0025396999129288535,
"volume": 1574.989225946418,
"volume_molar": 237.12017035331934,
"formula_full": "Sr1 Ca1 Zn2",
"formula_reduced": "SrCaZn2",
"formula_anonymous": "ABC2",
"energy": -1.39198491,
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"energy_above_hull": null,
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"energy_uncorrected": -1.39198491,
"band_gap": 0.4475,
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"total_magnetization": 0.0004837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 71
},
{
"id": "mp-601148",
"created_at": "2022-09-04T14:43:09.869039Z",
"structure_string": "I1\n1.0\n-1.617456 1.617456 4.264808\n1.617456 -1.617456 4.264808\n1.617456 1.617456 -4.264808\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
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"elements": [
"I"
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"density": 4.721734801160363,
"density_atomic": 0.022406580015506803,
"volume": 44.6297471237438,
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"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.3921211,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1.3921211,
"band_gap": 0.0,
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"total_magnetization": 0.0011958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.155000Z",
"spacegroup": 139
},
{
"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",
"nsites": 4,
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"elements": [
"Sr",
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd-Sr",
"density": 0.3205851143346066,
"density_atomic": 0.0021906373366060053,
"volume": 1825.9526271917166,
"volume_molar": 274.90359355100804,
"formula_full": "Sr1 Ca1 Cd2",
"formula_reduced": "SrCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.39642433,
"energy_per_atom": -0.3491060825,
"energy_above_hull": null,
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"energy_uncorrected": -1.39642433,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
},
{
"id": "mp-1097680",
"created_at": "2022-09-04T14:47:26.525725Z",
"structure_string": "Ca2 Mg1 Zn1\n1.0\n-6.569225 6.946878 9.284802\n6.569225 -6.946878 9.284802\n6.569225 6.946878 -9.284802\nCa Mg Zn\n2 1 1\ndirect\n0.260497 0.000000 0.260497 Ca\n0.739503 0.000000 0.739503 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
"Ca",
"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 0.1664291278210476,
"density_atomic": 0.0023600627177223533,
"volume": 1694.8702125426207,
"volume_molar": 255.1686747465695,
"formula_full": "Ca2 Mg1 Zn1",
"formula_reduced": "Ca2MgZn",
"formula_anonymous": "ABC2",
"energy": -1.40248541,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:07.503000Z",
"spacegroup": 71
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{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
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"elements": [
"I"
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"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
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"formula_full": "I1",
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"energy": -1.40693406,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
},
{
"id": "mp-1096012",
"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Ca-Cd-Hg",
"density": 0.4035419693735034,
"density_atomic": 0.00247248457280391,
"volume": 1617.8058476068945,
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"formula_full": "Ca2 Cd1 Hg1",
"formula_reduced": "Ca2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.42465064,
"energy_per_atom": -0.35616266,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:04.285000Z",
"spacegroup": 71
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
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"elements": [
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],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
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"formula_full": "Br1",
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"energy": -1.43585196,
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"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
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{
"id": "mp-30488",
"created_at": "2022-09-04T14:41:05.505628Z",
"structure_string": "Cd1 Hg2\n1.0\n-2.052865 2.052865 4.492229\n2.052865 -2.052865 4.492229\n2.052865 2.052865 -4.492229\nCd Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333281 0.333281 0.000000 Hg\n0.666719 0.666719 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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],
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"density": 11.262215753654495,
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"volume": 75.72558885469955,
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"formula_full": "Cd1 Hg2",
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"energy": -1.43586019,
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"updated_at": "2021-11-28T01:35:13.752000Z",
"spacegroup": 139
}
]
}