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"results": [
{
"id": "mp-510611",
"created_at": "2022-09-04T14:44:43.646824Z",
"structure_string": "La1 Co1 O3\n1.0\n4.445931 0.000000 0.000000\n0.000000 4.445931 0.000000\n0.000000 0.000000 4.445931\nLa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 87.87961684788989,
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{
"id": "mp-1114113",
"created_at": "2022-09-04T14:45:27.752970Z",
"structure_string": "Rb2 Tl1 Sb1 Br6\n1.0\n0.000000 5.955320 5.955320\n5.955320 0.000000 5.955320\n5.955320 5.955320 0.000000\nRb Tl Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.763797 0.236203 0.236203 Br\n0.236203 0.236203 0.763797 Br\n0.236203 0.763797 0.763797 Br\n0.236203 0.763797 0.236203 Br\n0.763797 0.236203 0.763797 Br\n0.763797 0.763797 0.236203 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Tl1 Sb1 Br6",
"formula_reduced": "Rb2TlSbBr6",
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"updated_at": "2021-11-28T01:36:57.480000Z",
"spacegroup": 225
},
{
"id": "mp-1103573",
"created_at": "2022-09-04T14:41:48.946854Z",
"structure_string": "Sm3 Zn11\n1.0\n4.442417 0.000000 0.000000\n2.221209 4.490739 6.535468\n2.221209 -4.490739 6.535468\nSm Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Sm\n0.699987 0.300013 0.300013 Sm\n0.300013 0.699987 0.699987 Sm\n0.000000 0.500000 0.500000 Zn\n0.500000 0.307675 0.692325 Zn\n0.500000 0.692325 0.307675 Zn\n0.660635 0.978136 0.700594 Zn\n0.339365 0.021864 0.299406 Zn\n0.660635 0.700594 0.978136 Zn\n0.339365 0.299406 0.021864 Zn\n0.861607 0.859904 0.416883 Zn\n0.138393 0.140096 0.583117 Zn\n0.861607 0.416883 0.859904 Zn\n0.138393 0.583117 0.140096 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"chemical_system": "Sm-Zn",
"density": 7.454285131017599,
"density_atomic": 0.05368886343898773,
"volume": 260.76171301166886,
"volume_molar": 11.216741004107096,
"formula_full": "Sm3 Zn11",
"formula_reduced": "Sm3Zn11",
"formula_anonymous": "A3B11",
"energy": -32.76072951,
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"updated_at": "2021-11-28T01:35:25.569000Z",
"spacegroup": 71
},
{
"id": "mp-1247096",
"created_at": "2022-09-04T14:46:27.073172Z",
"structure_string": "Co1 Pd2 N2\n1.0\n2.760705 -0.032115 -0.563107\n-1.408165 2.439013 0.000000\n-1.088483 -0.628436 8.798066\nCo Pd N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Co\n0.852555 0.426277 0.140441 Pd\n0.147445 0.573723 0.859559 Pd\n0.830294 0.415146 0.623126 N\n0.169706 0.584854 0.376874 N\n",
"nsites": 5,
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"elements": [
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"N"
],
"chemical_system": "Co-N-Pd",
"density": 8.756549931556785,
"density_atomic": 0.08795119120991184,
"volume": 56.84971324682314,
"volume_molar": 6.847139506760111,
"formula_full": "Co1 Pd2 N2",
"formula_reduced": "Co(PdN)2",
"formula_anonymous": "AB2C2",
"energy": -32.760270420000005,
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"updated_at": "2021-11-28T01:37:31.884000Z",
"spacegroup": 166
},
{
"id": "mp-1225355",
"created_at": "2022-09-04T14:42:59.739017Z",
"structure_string": "Eu2 Zn2 Pb2\n1.0\n2.440219 5.752059 0.000000\n-2.440219 5.752059 0.000000\n0.000000 5.132530 5.845073\nEu Zn Pb\n2 2 2\ndirect\n0.461153 0.461153 0.787085 Eu\n0.538847 0.538847 0.212915 Eu\n0.855226 0.855226 0.598584 Zn\n0.144774 0.144774 0.401416 Zn\n0.175835 0.175835 0.763907 Pb\n0.824165 0.824165 0.236093 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Eu-Pb-Zn",
"density": 8.593288532234,
"density_atomic": 0.03656614515074485,
"volume": 164.08620529358097,
"volume_molar": 16.469170417536695,
"formula_full": "Eu2 Zn2 Pb2",
"formula_reduced": "EuZnPb",
"formula_anonymous": "ABC",
"energy": -32.75809636,
"energy_per_atom": -5.459682726666667,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:05.038000Z",
"spacegroup": 12
},
{
"id": "mp-1079283",
"created_at": "2022-09-04T14:41:07.435507Z",
"structure_string": "La1 Al1 H6\n1.0\n2.817753 -3.262156 0.000000\n2.817753 3.262156 0.000000\n-0.958895 0.000000 4.202608\nLa Al H\n1 1 6\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Al\n0.294388 0.939617 0.294388 H\n0.294388 0.294388 0.939617 H\n0.939617 0.294388 0.294388 H\n0.705612 0.060383 0.705612 H\n0.705612 0.705612 0.060383 H\n0.060383 0.705612 0.705612 H\n",
"nsites": 8,
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"elements": [
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"Al",
"H"
],
"chemical_system": "Al-H-La",
"density": 3.6953533991888268,
"density_atomic": 0.10354603224774353,
"volume": 77.26032399637732,
"volume_molar": 5.815906828367375,
"formula_full": "La1 Al1 H6",
"formula_reduced": "LaAlH6",
"formula_anonymous": "ABC6",
"energy": -32.75730287,
"energy_per_atom": -4.09466285875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:11.033000Z",
"spacegroup": 166
},
{
"id": "mp-1217345",
"created_at": "2022-09-04T14:43:50.196057Z",
"structure_string": "Th1 Zr3\n1.0\n3.283852 0.000000 0.000000\n0.000000 3.283852 0.000000\n0.000000 0.000000 9.449069\nTh Zr\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.735443 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.264557 Zr\n",
"nsites": 4,
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"elements": [
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"Zr"
],
"chemical_system": "Th-Zr",
"density": 8.241277137884918,
"density_atomic": 0.03925579885333032,
"volume": 101.89577379242799,
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"formula_full": "Th1 Zr3",
"formula_reduced": "ThZr3",
"formula_anonymous": "AB3",
"energy": -32.75665824,
"energy_per_atom": -8.18916456,
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"updated_at": "2021-11-28T01:36:29.336000Z",
"spacegroup": 123
},
{
"id": "mp-1187044",
"created_at": "2022-09-04T14:44:18.348389Z",
"structure_string": "Sn6 P2\n1.0\n3.208462 -5.557219 0.000000\n3.208462 5.557219 0.000000\n0.000000 0.000000 5.552769\nSn P\n6 2\ndirect\n0.830221 0.169779 0.750000 Sn\n0.339559 0.169779 0.750000 Sn\n0.830221 0.660441 0.750000 Sn\n0.169779 0.830221 0.250000 Sn\n0.660441 0.830221 0.250000 Sn\n0.169779 0.339559 0.250000 Sn\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "P-Sn",
"density": 6.492507660099256,
"density_atomic": 0.040401358877011025,
"volume": 198.0131416953928,
"volume_molar": 14.905787645243507,
"formula_full": "Sn6 P2",
"formula_reduced": "Sn3P",
"formula_anonymous": "AB3",
"energy": -32.75474642,
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"updated_at": "2021-11-28T01:36:31.900000Z",
"spacegroup": 194
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{
"id": "mp-1776",
"created_at": "2022-09-04T14:41:34.992792Z",
"structure_string": "U1 N2\n1.0\n0.000000 2.639221 2.639221\n2.639221 0.000000 2.639221\n2.639221 2.639221 0.000000\nU N\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 3,
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"elements": [
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"volume": 36.76692170101598,
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"formula_full": "U1 N2",
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"energy": -32.75330316,
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"updated_at": "2021-11-28T01:35:29.498000Z",
"spacegroup": 225
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{
"id": "mp-1022053",
"created_at": "2022-09-04T14:45:11.453481Z",
"structure_string": "Na2 Mg12 Co2\n1.0\n4.957277 0.000000 0.000000\n0.000000 6.299159 0.000000\n0.000000 0.000000 10.797305\nNa Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.166429 Na\n0.500000 0.000000 0.666429 Na\n0.000000 0.241053 0.076831 Mg\n0.000000 0.758947 0.076831 Mg\n0.000000 0.500000 0.834707 Mg\n0.500000 0.230127 0.905637 Mg\n0.500000 0.769873 0.905637 Mg\n0.500000 0.500000 0.663702 Mg\n0.000000 0.741053 0.576831 Mg\n0.000000 0.258947 0.576831 Mg\n0.000000 0.000000 0.334707 Mg\n0.500000 0.730127 0.405637 Mg\n0.500000 0.269873 0.405637 Mg\n0.500000 0.000000 0.163702 Mg\n0.000000 0.500000 0.370225 Co\n0.000000 0.000000 0.870225 Co\n",
"nsites": 16,
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],
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"density": 2.243375663788906,
"density_atomic": 0.0474546588573217,
"volume": 337.1639452325635,
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"formula_full": "Na2 Mg12 Co2",
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"formula_anonymous": "ABC6",
"energy": -32.75187504,
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"updated_at": "2021-11-28T01:36:50.063000Z",
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{
"id": "mp-4896",
"created_at": "2022-09-04T14:40:24.897650Z",
"structure_string": "Sm1 Si2 Pt2\n1.0\n-2.115317 2.115317 4.963674\n2.115317 -2.115317 4.963674\n2.115317 2.115317 -4.963674\nSm Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.619433 0.619433 0.000000 Si\n0.380567 0.380567 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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],
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"density": 11.152962610848952,
"density_atomic": 0.05628022734809357,
"volume": 88.84114787019192,
"volume_molar": 10.700277955085397,
"formula_full": "Sm1 Si2 Pt2",
"formula_reduced": "Sm(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -32.75032393,
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"updated_at": "2021-11-28T01:35:06.746000Z",
"spacegroup": 139
},
{
"id": "mp-996941",
"created_at": "2022-09-04T14:44:06.138249Z",
"structure_string": "Cs2 Rb1 In1 Br6\n1.0\n0.000000 5.983036 5.983036\n5.983036 0.000000 5.983036\n5.983036 5.983036 0.000000\nCs Rb In Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.226307 0.773693 0.773693 Br\n0.226307 0.773693 0.226307 Br\n0.773693 0.226307 0.773693 Br\n0.773693 0.773693 0.226307 Br\n0.226307 0.226307 0.773693 Br\n0.773693 0.226307 0.226307 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"In",
"Br"
],
"chemical_system": "Br-Cs-In-Rb",
"density": 3.6654330944888427,
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"volume": 428.346126218948,
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"formula_full": "Cs2 Rb1 In1 Br6",
"formula_reduced": "Cs2RbInBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.75028772,
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"updated_at": "2021-11-28T01:36:32.923000Z",
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}
]
}