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_per_atom&page=1729",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=1727",
"results": [
{
"id": "mp-1207132",
"created_at": "2022-09-04T14:47:26.197659Z",
"structure_string": "Mg2 Al3 Si6\n1.0\n0.000000 3.634187 0.000000\n-0.020944 0.000000 6.721734\n7.935664 -1.817093 -0.115696\nMg Al Si\n2 3 6\ndirect\n0.829672 0.014020 0.659344 Mg\n0.170328 0.985980 0.340656 Mg\n0.071541 0.385636 0.143082 Al\n0.928459 0.614364 0.856918 Al\n0.000000 0.000000 0.000000 Al\n0.305838 0.343763 0.611676 Si\n0.694162 0.656237 0.388324 Si\n0.453932 0.257593 0.907865 Si\n0.546068 0.742407 0.092135 Si\n0.700645 0.295918 0.401289 Si\n0.299355 0.704082 0.598711 Si\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.5533582704102744,
"density_atomic": 0.05674669207884521,
"volume": 193.84389815562002,
"volume_molar": 10.612320365093165,
"formula_full": "Mg2 Al3 Si6",
"formula_reduced": "Mg2(AlSi2)3",
"formula_anonymous": "A2B3C6",
"energy": -44.50939235,
"energy_per_atom": -4.046308395454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.93539235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.709000Z",
"spacegroup": 12
},
{
"id": "mp-1245807",
"created_at": "2022-09-04T14:42:28.388504Z",
"structure_string": "Ba4 Na4 N4\n1.0\n9.873539 0.000000 0.000000\n0.000000 4.336284 0.000000\n0.000000 0.000000 6.513544\nBa Na N\n4 4 4\ndirect\n0.653389 0.250000 0.468598 Ba\n0.153389 0.250000 0.031402 Ba\n0.346611 0.750000 0.531402 Ba\n0.846611 0.750000 0.968598 Ba\n0.562351 0.250000 0.930537 Na\n0.062351 0.250000 0.569463 Na\n0.437649 0.750000 0.069463 Na\n0.937649 0.750000 0.430537 Na\n0.898334 0.250000 0.241074 N\n0.398334 0.250000 0.258926 N\n0.101666 0.750000 0.758926 N\n0.601666 0.750000 0.741074 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Na",
"N"
],
"chemical_system": "Ba-N-Na",
"density": 4.1519970275716345,
"density_atomic": 0.0430301966460132,
"volume": 278.87392889969084,
"volume_molar": 13.995150451068085,
"formula_full": "Ba4 Na4 N4",
"formula_reduced": "BaNaN",
"formula_anonymous": "ABC",
"energy": -48.5558738,
"energy_per_atom": -4.046322816666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.1118738,
"band_gap": 0.6228000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.700000Z",
"spacegroup": 62
},
{
"id": "mp-722193",
"created_at": "2022-09-04T14:48:21.550076Z",
"structure_string": "N2 Cl2 O4\n1.0\n6.546496 0.000000 0.000000\n0.000000 6.546496 0.000000\n0.000000 0.000000 3.985541\nN Cl O\n2 2 4\ndirect\n0.500000 0.500000 0.994428 N\n0.000000 0.000000 0.994428 N\n0.000000 0.500000 0.286873 Cl\n0.500000 0.000000 0.286873 Cl\n0.363199 0.136801 0.484350 O\n0.636801 0.863199 0.484350 O\n0.863199 0.363199 0.484350 O\n0.136801 0.636801 0.484350 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.5838367176143808,
"density_atomic": 0.04683654944604348,
"volume": 170.8067757898378,
"volume_molar": 12.857780582102043,
"formula_full": "N2 Cl2 O4",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
"energy": -32.3710569,
"energy_per_atom": -4.0463821125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.9010569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:57.777000Z",
"spacegroup": 100
},
{
"id": "mp-1113344",
"created_at": "2022-09-04T14:46:57.766601Z",
"structure_string": "Rb2 Ta1 Cu1 Br6\n1.0\n0.000000 5.344518 5.344518\n5.344518 0.000000 5.344518\n5.344518 5.344518 0.000000\nRb Ta Cu Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Cu\n0.247642 0.752358 0.752358 Br\n0.752358 0.752358 0.247642 Br\n0.752358 0.247642 0.247642 Br\n0.752358 0.247642 0.752358 Br\n0.247642 0.752358 0.247642 Br\n0.247642 0.247642 0.752358 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-Rb-Ta",
"density": 4.866821308984319,
"density_atomic": 0.03275249372288241,
"volume": 305.3202630801067,
"volume_molar": 18.38681601148634,
"formula_full": "Rb2 Ta1 Cu1 Br6",
"formula_reduced": "Rb2TaCuBr6",
"formula_anonymous": "ABC2D6",
"energy": -40.4646329,
"energy_per_atom": -4.04646329,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.2606329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9992182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.540000Z",
"spacegroup": 225
},
{
"id": "mp-2621",
"created_at": "2022-09-04T14:42:11.215201Z",
"structure_string": "Er1 Ag1\n1.0\n3.612578 0.000000 0.000000\n0.000000 3.612578 0.000000\n0.000000 0.000000 3.612578\nEr Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Ag"
],
"chemical_system": "Ag-Er",
"density": 9.690159538851722,
"density_atomic": 0.042420745567859644,
"volume": 47.14674325562333,
"volume_molar": 14.196216213047217,
"formula_full": "Er1 Ag1",
"formula_reduced": "ErAg",
"formula_anonymous": "AB",
"energy": -8.09303236,
"energy_per_atom": -4.04651618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.09303236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.276000Z",
"spacegroup": 221
},
{
"id": "mp-1181055",
"created_at": "2022-09-04T14:47:46.752829Z",
"structure_string": "Ho10 Tl6\n1.0\n4.480693 -7.760788 0.000000\n4.480693 7.760788 0.000000\n0.000000 0.000000 6.718541\nHo Tl\n10 6\ndirect\n0.666667 0.333333 0.500000 Ho\n0.333333 0.666667 0.500000 Ho\n0.333333 0.666667 0.000000 Ho\n0.666667 0.333333 0.000000 Ho\n0.764539 0.764539 0.250000 Ho\n0.235461 0.000000 0.250000 Ho\n0.000000 0.235461 0.250000 Ho\n0.235461 0.235461 0.750000 Ho\n0.764539 0.000000 0.750000 Ho\n0.000000 0.764539 0.750000 Ho\n0.402559 0.402559 0.250000 Tl\n0.597441 0.000000 0.250000 Tl\n0.000000 0.597441 0.250000 Tl\n0.597441 0.597441 0.750000 Tl\n0.402559 0.000000 0.750000 Tl\n0.000000 0.402559 0.750000 Tl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ho",
"Tl"
],
"chemical_system": "Ho-Tl",
"density": 10.219321193171435,
"density_atomic": 0.03424238504032563,
"volume": 467.2571721028649,
"volume_molar": 17.586802884518736,
"formula_full": "Ho10 Tl6",
"formula_reduced": "Ho5Tl3",
"formula_anonymous": "A3B5",
"energy": -64.74667825,
"energy_per_atom": -4.046667390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.74667825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.476000Z",
"spacegroup": 193
},
{
"id": "mp-1096367",
"created_at": "2022-09-04T14:42:50.009263Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-4.727539 5.914294 8.787803\n4.727539 -5.914294 8.787803\n4.727539 5.914294 -8.787803\nSc Ni Pd\n2 1 1\ndirect\n0.000000 0.238571 0.238571 Sc\n0.000000 0.761429 0.761429 Sc\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ni",
"Pd"
],
"chemical_system": "Ni-Pd-Sc",
"density": 0.4308775845281115,
"density_atomic": 0.004069880499748205,
"volume": 982.8298399049975,
"volume_molar": 147.96849097590402,
"formula_full": "Sc2 Ni1 Pd1",
"formula_reduced": "Sc2NiPd",
"formula_anonymous": "ABC2",
"energy": -16.18685225,
"energy_per_atom": -4.0467130625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18685225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.102000Z",
"spacegroup": 71
},
{
"id": "mp-1227045",
"created_at": "2022-09-04T14:43:55.804697Z",
"structure_string": "Ca1 H2 Pd1\n1.0\n3.728712 0.000000 0.000000\n0.000000 3.728712 0.000000\n0.000000 0.000000 3.552747\nCa H Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"H",
"Pd"
],
"chemical_system": "Ca-H-Pd",
"density": 4.992685153545931,
"density_atomic": 0.0809800478592471,
"volume": 49.39488313161376,
"volume_molar": 7.436573476058192,
"formula_full": "Ca1 H2 Pd1",
"formula_reduced": "CaH2Pd",
"formula_anonymous": "ABC2",
"energy": -16.1868765,
"energy_per_atom": -4.046719125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.1868765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.535000Z",
"spacegroup": 123
},
{
"id": "mp-1073642",
"created_at": "2022-09-04T14:45:34.025990Z",
"structure_string": "Mg4 Si8\n1.0\n3.727675 0.000000 0.000000\n0.000000 6.444272 0.000000\n0.000000 1.976144 9.597963\nMg Si\n4 8\ndirect\n0.058619 0.085075 0.751133 Mg\n0.941381 0.914925 0.248867 Mg\n0.441381 0.585075 0.751133 Mg\n0.558619 0.414925 0.248867 Mg\n0.520329 0.317397 0.553401 Si\n0.944133 0.351807 0.947640 Si\n0.055867 0.648193 0.052360 Si\n0.979671 0.817397 0.553401 Si\n0.479671 0.682603 0.446599 Si\n0.555867 0.851807 0.947640 Si\n0.444133 0.148193 0.052360 Si\n0.020329 0.182603 0.446599 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3183793265219785,
"density_atomic": 0.05204634913842955,
"volume": 230.56372250209458,
"volume_molar": 11.570726592143275,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -48.56360051,
"energy_per_atom": -4.046966709166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.13160051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.801000Z",
"spacegroup": 14
},
{
"id": "mp-540687",
"created_at": "2022-09-04T14:46:25.578311Z",
"structure_string": "Ge3 Bi2 Te6\n1.0\n21.932759 -2.158756 0.000000\n21.932759 2.158756 0.000000\n21.720281 0.000000 3.733033\nGe Bi Te\n3 2 6\ndirect\n0.545958 0.545958 0.545958 Ge\n0.455288 0.455288 0.455288 Ge\n0.269763 0.269763 0.269763 Ge\n0.997417 0.997417 0.997417 Bi\n0.728239 0.728239 0.728239 Bi\n0.915450 0.915450 0.915450 Te\n0.809378 0.809378 0.809378 Te\n0.636675 0.636675 0.636675 Te\n0.362526 0.362526 0.362526 Te\n0.191651 0.191651 0.191651 Te\n0.088655 0.088655 0.088655 Te\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ge",
"Bi",
"Te"
],
"chemical_system": "Bi-Ge-Te",
"density": 6.583359946465029,
"density_atomic": 0.031117452564148707,
"volume": 353.4993739389004,
"volume_molar": 19.35293625847213,
"formula_full": "Ge3 Bi2 Te6",
"formula_reduced": "Ge3(BiTe3)2",
"formula_anonymous": "A2B3C6",
"energy": -44.51707098000001,
"energy_per_atom": -4.047006452727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.98507098,
"band_gap": 0.0194,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.286000Z",
"spacegroup": 160
},
{
"id": "mp-1226745",
"created_at": "2022-09-04T14:44:46.710417Z",
"structure_string": "Cd1 Ge1 P2\n1.0\n6.736866 -2.035301 0.000000\n6.736866 2.035301 0.000000\n6.121973 0.000000 3.471205\nCd Ge P\n1 1 2\ndirect\n0.995640 0.995640 0.995640 Cd\n0.506780 0.506780 0.506780 Ge\n0.127308 0.127308 0.127308 P\n0.620273 0.620273 0.620273 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Ge",
"P"
],
"chemical_system": "Cd-Ge-P",
"density": 4.308703823412609,
"density_atomic": 0.042020689851098636,
"volume": 95.1912025760191,
"volume_molar": 14.33137052566154,
"formula_full": "Cd1 Ge1 P2",
"formula_reduced": "CdGeP2",
"formula_anonymous": "ABC2",
"energy": -16.18823557,
"energy_per_atom": -4.0470588925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18823557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.107000Z",
"spacegroup": 160
},
{
"id": "mp-973170",
"created_at": "2022-09-04T14:42:37.723502Z",
"structure_string": "Sc1 Cd1 Au2\n1.0\n0.000000 3.388311 3.388311\n3.388311 0.000000 3.388311\n3.388311 3.388311 0.000000\nSc Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Sc",
"density": 11.76677195043585,
"density_atomic": 0.05141385856999833,
"volume": 77.80003507330863,
"volume_molar": 11.713069058610039,
"formula_full": "Sc1 Cd1 Au2",
"formula_reduced": "ScCdAu2",
"formula_anonymous": "ABC2",
"energy": -16.18828982,
"energy_per_atom": -4.047072455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18828982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.062000Z",
"spacegroup": 225
}
]
}