HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10214",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10212",
"results": [
{
"id": "mp-1112904",
"created_at": "2022-09-04T14:42:00.596165Z",
"structure_string": "Cs2 In1 Hg1 Cl6\n1.0\n0.000000 5.459460 5.459460\n5.459460 0.000000 5.459460\n5.459460 5.459460 0.000000\nCs In Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.763139 0.236861 0.236861 Cl\n0.236861 0.236861 0.763139 Cl\n0.236861 0.763139 0.763139 Cl\n0.236861 0.763139 0.236861 Cl\n0.763139 0.236861 0.763139 Cl\n0.763139 0.763139 0.236861 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"In",
"Hg",
"Cl"
],
"chemical_system": "Cl-Cs-Hg-In",
"density": 4.050942007633468,
"density_atomic": 0.030727055100012907,
"volume": 325.44609196850104,
"volume_molar": 19.59882175626219,
"formula_full": "Cs2 In1 Hg1 Cl6",
"formula_reduced": "Cs2InHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.92836789,
"energy_per_atom": -3.292836789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.24436789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.284000Z",
"spacegroup": 225
},
{
"id": "mp-1216549",
"created_at": "2022-09-04T14:41:46.397979Z",
"structure_string": "V2 Ni1 Sb2\n1.0\n-2.151323 -3.723636 0.000000\n-2.151323 3.723636 0.000000\n0.000000 0.000000 -5.467610\nV Ni Sb\n2 1 2\ndirect\n0.000050 0.999950 0.511371 V\n0.000050 0.999950 0.988629 V\n0.666656 0.333344 0.250000 Ni\n0.666685 0.333315 0.750000 Sb\n0.333259 0.666741 0.250000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Ni",
"Sb"
],
"chemical_system": "Ni-Sb-V",
"density": 7.660087197030158,
"density_atomic": 0.05707811718977334,
"volume": 87.59924549325967,
"volume_molar": 10.550699736604107,
"formula_full": "V2 Ni1 Sb2",
"formula_reduced": "V2NiSb2",
"formula_anonymous": "AB2C2",
"energy": -32.9282513,
"energy_per_atom": -6.5856502599999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.5442513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2782139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.200000Z",
"spacegroup": 187
},
{
"id": "mp-569650",
"created_at": "2022-09-04T14:40:34.303212Z",
"structure_string": "Ho1 Ge2 Rh2\n1.0\n-2.071351 2.071351 5.171682\n2.071351 -2.071351 5.171682\n2.071351 2.071351 -5.171682\nHo Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.378649 0.378649 0.000000 Ge\n0.621351 0.621351 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Rh"
],
"chemical_system": "Ge-Ho-Rh",
"density": 9.654227796330972,
"density_atomic": 0.056334027767206744,
"volume": 88.75630233048254,
"volume_molar": 10.690058919425637,
"formula_full": "Ho1 Ge2 Rh2",
"formula_reduced": "Ho(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -32.92812329,
"energy_per_atom": -6.585624658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.92812329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.069000Z",
"spacegroup": 139
},
{
"id": "mp-1110760",
"created_at": "2022-09-04T14:45:43.429677Z",
"structure_string": "K2 Rb1 Bi1 Br6\n1.0\n0.000000 6.105941 6.105941\n6.105941 0.000000 6.105941\n6.105941 6.105941 0.000000\nK Rb Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.765613 0.234387 0.234387 Br\n0.234387 0.234387 0.765613 Br\n0.234387 0.765613 0.765613 Br\n0.234387 0.765613 0.234387 Br\n0.765613 0.234387 0.765613 Br\n0.765613 0.765613 0.234387 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Rb",
"density": 3.107677578284755,
"density_atomic": 0.02196403837295084,
"volume": 455.2896798939854,
"volume_molar": 27.41818538896922,
"formula_full": "K2 Rb1 Bi1 Br6",
"formula_reduced": "K2RbBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.92707918,
"energy_per_atom": -3.292707918,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.72307918,
"band_gap": 3.4181,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0040648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.415000Z",
"spacegroup": 225
},
{
"id": "mp-1245916",
"created_at": "2022-09-04T14:47:20.881401Z",
"structure_string": "Li2 Cr1 N2\n1.0\n2.928868 -0.000003 0.000003\n-1.464437 2.536479 0.000000\n-0.000010 -0.000006 5.615103\nLi Cr N\n2 1 2\ndirect\n0.666666 0.333333 0.354682 Li\n0.333334 0.666667 0.645318 Li\n0.000000 0.000000 0.000000 Cr\n0.666666 0.333333 0.796242 N\n0.333334 0.666667 0.203758 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Cr",
"N"
],
"chemical_system": "Cr-Li-N",
"density": 3.7375484780878163,
"density_atomic": 0.11986198452547304,
"volume": 41.714643886422564,
"volume_molar": 5.024229144746203,
"formula_full": "Li2 Cr1 N2",
"formula_reduced": "Li2CrN2",
"formula_anonymous": "AB2C2",
"energy": -32.92678684,
"energy_per_atom": -6.5853573679999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.20478684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1048247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.203000Z",
"spacegroup": 164
},
{
"id": "mp-1219169",
"created_at": "2022-09-04T14:45:29.123537Z",
"structure_string": "Sm2 Zn1 Sb4\n1.0\n4.353731 0.000000 0.000000\n0.000000 4.353731 0.000000\n0.000000 0.000000 10.187525\nSm Zn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.754587 Sm\n0.000000 0.500000 0.245413 Sm\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.342712 Sb\n0.000000 0.500000 0.657288 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Sb"
],
"chemical_system": "Sb-Sm-Zn",
"density": 7.336556940386264,
"density_atomic": 0.03624984618852829,
"volume": 193.1042676317682,
"volume_molar": 16.612872586217428,
"formula_full": "Sm2 Zn1 Sb4",
"formula_reduced": "Sm2ZnSb4",
"formula_anonymous": "AB2C4",
"energy": -32.92635232,
"energy_per_atom": -4.703764617142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.15835232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.697000Z",
"spacegroup": 115
},
{
"id": "mp-1077599",
"created_at": "2022-09-04T14:40:43.216135Z",
"structure_string": "Sc2 Al2 Ge2\n1.0\n1.988700 -4.933249 0.000000\n1.988700 4.933249 0.000000\n0.000000 0.000000 5.547421\nSc Al Ge\n2 2 2\ndirect\n0.691113 0.308887 0.250000 Sc\n0.308887 0.691113 0.750000 Sc\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.387897 0.612103 0.250000 Ge\n0.612103 0.387897 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sc",
"density": 4.411194663262951,
"density_atomic": 0.05512236191923251,
"volume": 108.84874651763725,
"volume_molar": 10.925041217979523,
"formula_full": "Sc2 Al2 Ge2",
"formula_reduced": "ScAlGe",
"formula_anonymous": "ABC",
"energy": -32.92474087,
"energy_per_atom": -5.487456811666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.92474087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.471000Z",
"spacegroup": 63
},
{
"id": "mp-973136",
"created_at": "2022-09-04T14:44:13.212702Z",
"structure_string": "Li1 Sm1 O3\n1.0\n3.734836 0.000000 0.000000\n0.000000 3.734836 0.000000\n0.000000 0.000000 3.734836\nLi Sm O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Sm",
"O"
],
"chemical_system": "Li-O-Sm",
"density": 6.543675364096959,
"density_atomic": 0.095974397717951,
"volume": 52.097227165665274,
"volume_molar": 6.274736703946642,
"formula_full": "Li1 Sm1 O3",
"formula_reduced": "LiSmO3",
"formula_anonymous": "ABC3",
"energy": -32.92452659,
"energy_per_atom": -6.584905318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.86352659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.684000Z",
"spacegroup": 221
},
{
"id": "mp-1111499",
"created_at": "2022-09-04T14:42:54.594399Z",
"structure_string": "K3 Au1 Cl6\n1.0\n0.000000 5.468812 5.468812\n5.468812 0.000000 5.468812\n5.468812 5.468812 0.000000\nK Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.770485 0.229515 0.229515 Cl\n0.229515 0.229515 0.770485 Cl\n0.229515 0.770485 0.770485 Cl\n0.229515 0.770485 0.229515 Cl\n0.770485 0.229515 0.770485 Cl\n0.770485 0.770485 0.229515 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K",
"density": 2.6750617733674025,
"density_atomic": 0.030569689132387903,
"volume": 327.1214161417567,
"volume_molar": 19.69971213616195,
"formula_full": "K3 Au1 Cl6",
"formula_reduced": "K3AuCl6",
"formula_anonymous": "AB3C6",
"energy": -32.92440245,
"energy_per_atom": -3.2924402450000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.24040245,
"band_gap": 0.1652,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9969687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.531000Z",
"spacegroup": 225
},
{
"id": "mp-1079655",
"created_at": "2022-09-04T14:46:36.259392Z",
"structure_string": "Mn1 N2 Cl6\n1.0\n0.000000 4.930877 4.930877\n4.930877 0.000000 4.930877\n4.930877 4.930877 0.000000\nMn N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.772832 0.772832 0.227168 Cl\n0.227168 0.772832 0.227168 Cl\n0.772832 0.227168 0.227168 Cl\n0.227168 0.227168 0.772832 Cl\n0.772832 0.227168 0.772832 Cl\n0.227168 0.772832 0.772832 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mn",
"N",
"Cl"
],
"chemical_system": "Cl-Mn-N",
"density": 2.0476373378057753,
"density_atomic": 0.03753530991395979,
"volume": 239.77422913598485,
"volume_molar": 16.043935094193266,
"formula_full": "Mn1 N2 Cl6",
"formula_reduced": "Mn(NCl3)2",
"formula_anonymous": "AB2C6",
"energy": -32.92414641,
"energy_per_atom": -3.65823849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.24014641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9320561,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.388000Z",
"spacegroup": 225
},
{
"id": "mp-1028115",
"created_at": "2022-09-04T14:46:53.979966Z",
"structure_string": "Ca1 Mg14 Nb1\n1.0\n6.454504 -0.014846 0.000000\n-3.240109 5.612033 0.000000\n0.000000 0.000000 10.226782\nCa Mg Nb\n1 14 1\ndirect\n0.167287 0.333643 0.125000 Ca\n0.167399 0.333699 0.625000 Mg\n0.165745 0.832872 0.625000 Mg\n0.663970 0.331076 0.125000 Mg\n0.666477 0.334664 0.625000 Mg\n0.663970 0.832894 0.125000 Mg\n0.666477 0.831812 0.625000 Mg\n0.331944 0.156341 0.375652 Mg\n0.331944 0.156341 0.874348 Mg\n0.331944 0.675605 0.375652 Mg\n0.331944 0.675605 0.874348 Mg\n0.827195 0.163598 0.380809 Mg\n0.827195 0.163598 0.869191 Mg\n0.840309 0.670155 0.368278 Mg\n0.840309 0.670155 0.881722 Mg\n0.175888 0.837943 0.125000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Nb"
],
"chemical_system": "Ca-Mg-Nb",
"density": 2.124216417537706,
"density_atomic": 0.04324889384194861,
"volume": 369.95165838163103,
"volume_molar": 13.9243810073101,
"formula_full": "Ca1 Mg14 Nb1",
"formula_reduced": "CaMg14Nb",
"formula_anonymous": "ABC14",
"energy": -32.92298165,
"energy_per_atom": -2.057686353125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.92298165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9672799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.739000Z",
"spacegroup": 38
},
{
"id": "mp-1185496",
"created_at": "2022-09-04T14:42:39.651962Z",
"structure_string": "Lu1 Hf1 Rh2\n1.0\n0.000000 3.314906 3.314906\n3.314906 0.000000 3.314906\n3.314906 3.314906 0.000000\nLu Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Hf",
"Rh"
],
"chemical_system": "Hf-Lu-Rh",
"density": 12.747511702749474,
"density_atomic": 0.054905562156414275,
"volume": 72.85236400284639,
"volume_molar": 10.968179768097448,
"formula_full": "Lu1 Hf1 Rh2",
"formula_reduced": "LuHfRh2",
"formula_anonymous": "ABC2",
"energy": -32.91862377,
"energy_per_atom": -8.2296559425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.91862377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.017492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.558000Z",
"spacegroup": 225
}
]
}