HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12193",
"results": [
{
"id": "mp-1035311",
"created_at": "2022-09-04T14:40:57.510086Z",
"structure_string": "Mg14 Cr1 Cu1 O16\n1.0\n8.552615 0.000000 0.000000\n0.000000 8.552615 0.000000\n0.000000 0.000000 4.247811\nMg Cr Cu O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.247000 0.500000 Mg\n0.000000 0.753000 0.500000 Mg\n0.500000 0.247293 0.500000 Mg\n0.500000 0.752707 0.500000 Mg\n0.247000 0.000000 0.500000 Mg\n0.247293 0.500000 0.500000 Mg\n0.753000 0.000000 0.500000 Mg\n0.752707 0.500000 0.500000 Mg\n0.245373 0.245373 0.000000 Mg\n0.245373 0.754627 0.000000 Mg\n0.754627 0.245373 0.000000 Mg\n0.754627 0.754627 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.263263 0.000000 0.000000 O\n0.256946 0.500000 0.000000 O\n0.736737 0.000000 0.000000 O\n0.743054 0.500000 0.000000 O\n0.250529 0.250529 0.500000 O\n0.250529 0.749471 0.500000 O\n0.749471 0.250529 0.500000 O\n0.749471 0.749471 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.263263 0.000000 O\n0.000000 0.736737 0.000000 O\n0.500000 0.256946 0.000000 O\n0.500000 0.743054 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Cu",
"O"
],
"chemical_system": "Cr-Cu-Mg-O",
"density": 3.8040443909337482,
"density_atomic": 0.10298807677650218,
"volume": 310.7155799155688,
"volume_molar": 5.847415495551827,
"formula_full": "Mg14 Cr1 Cu1 O16",
"formula_reduced": "Mg14CrCuO16",
"formula_anonymous": "ABC14D16",
"energy": -206.25924315,
"energy_per_atom": -6.4456013484375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.26824315,
"band_gap": 1.8166,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.6877042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.138000Z",
"spacegroup": 123
},
{
"id": "mp-703517",
"created_at": "2022-09-04T14:40:57.520056Z",
"structure_string": "Na2 Mg2 P2 H24 O22\n1.0\n6.858645 0.000000 0.000000\n0.000000 6.858645 0.000000\n0.000000 0.000000 10.941388\nNa Mg P H O\n2 2 2 24 22\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.750000 P\n0.000000 0.000000 0.250000 P\n0.191761 0.217751 0.571133 H\n0.808239 0.782249 0.571133 H\n0.782249 0.191761 0.071133 H\n0.217751 0.808239 0.071133 H\n0.808239 0.217751 0.428867 H\n0.191761 0.782249 0.428867 H\n0.217751 0.191761 0.928867 H\n0.782249 0.808239 0.928867 H\n0.808239 0.782249 0.428867 H\n0.191761 0.217751 0.428867 H\n0.217751 0.808239 0.928867 H\n0.782249 0.191761 0.928867 H\n0.191761 0.782249 0.571133 H\n0.808239 0.217751 0.571133 H\n0.782249 0.808239 0.071133 H\n0.217751 0.191761 0.071133 H\n0.382169 0.000000 0.743021 H\n0.617831 0.000000 0.743021 H\n0.000000 0.382169 0.243021 H\n0.000000 0.617831 0.243021 H\n0.617831 0.000000 0.256979 H\n0.382169 0.000000 0.256979 H\n0.000000 0.382169 0.756979 H\n0.000000 0.617831 0.756979 H\n0.185879 0.000000 0.831395 O\n0.814121 0.000000 0.831395 O\n0.000000 0.185879 0.331395 O\n0.000000 0.814121 0.331395 O\n0.814121 0.000000 0.168605 O\n0.185879 0.000000 0.168605 O\n0.000000 0.185879 0.668605 O\n0.000000 0.814121 0.668605 O\n0.283978 0.226415 0.500000 O\n0.716022 0.773585 0.500000 O\n0.773585 0.283978 0.000000 O\n0.226415 0.716022 0.000000 O\n0.716022 0.226415 0.500000 O\n0.283978 0.773585 0.500000 O\n0.226415 0.283978 0.000000 O\n0.773585 0.716022 0.000000 O\n0.500000 0.000000 0.688057 O\n0.000000 0.500000 0.188057 O\n0.500000 0.000000 0.311943 O\n0.000000 0.500000 0.811943 O\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-Na-O-P",
"density": 1.718677866633656,
"density_atomic": 0.10103091246633593,
"volume": 514.6939558457091,
"volume_molar": 5.960691250815548,
"formula_full": "Na2 Mg2 P2 H24 O22",
"formula_reduced": "NaMgPH12O11",
"formula_anonymous": "ABCD11E12",
"energy": -288.25476028,
"energy_per_atom": -5.543360774615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.14076028,
"band_gap": 0.318,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3567745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.090000Z",
"spacegroup": 131
},
{
"id": "mp-1221291",
"created_at": "2022-09-04T14:40:57.524783Z",
"structure_string": "Na3 Nb6 Bi5 O24\n1.0\n-5.559244 0.000000 0.000000\n0.034103 5.611152 0.000000\n-0.010363 -2.782945 -16.616308\nNa Nb Bi O\n3 6 5 24\ndirect\n0.491568 0.580263 0.133175 Na\n0.505953 0.445742 0.878189 Na\n0.007201 0.077880 0.132732 Na\n0.503199 0.903137 0.752549 Nb\n0.500656 0.149992 0.249107 Nb\n0.008974 0.392417 0.751065 Nb\n0.002003 0.649319 0.249261 Nb\n0.504677 0.017712 0.005638 Nb\n0.994986 0.510025 0.006546 Nb\n0.011252 0.904380 0.874740 Bi\n0.464196 0.749538 0.422861 Bi\n0.534167 0.324416 0.574162 Bi\n0.035558 0.248024 0.422574 Bi\n0.965838 0.822520 0.573857 Bi\n0.239126 0.278454 0.016224 O\n0.750704 0.263562 0.974178 O\n0.254873 0.782263 0.015983 O\n0.751142 0.768052 0.975731 O\n0.578641 0.856481 0.641439 O\n0.422628 0.221463 0.360486 O\n0.914032 0.364290 0.641753 O\n0.076045 0.721661 0.360606 O\n0.249383 0.540688 0.501848 O\n0.748713 0.038738 0.497003 O\n0.247767 0.039329 0.501546 O\n0.749926 0.538403 0.496262 O\n0.416468 0.988525 0.879016 O\n0.573712 0.107276 0.116646 O\n0.078429 0.512467 0.877389 O\n0.920328 0.601683 0.116264 O\n0.221319 0.385313 0.220914 O\n0.790736 0.150818 0.780770 O\n0.275307 0.884833 0.220457 O\n0.718297 0.661296 0.782236 O\n0.301411 0.217887 0.741736 O\n0.712078 0.462148 0.254638 O\n0.193498 0.727300 0.746263 O\n0.785209 0.961706 0.254154 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Na",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Na-Nb-O",
"density": 6.584472675288455,
"density_atomic": 0.07331305099686396,
"volume": 518.3251751673176,
"volume_molar": 8.214282011340114,
"formula_full": "Na3 Nb6 Bi5 O24",
"formula_reduced": "Na3Nb6Bi5O24",
"formula_anonymous": "A3B5C6D24",
"energy": -298.55761734,
"energy_per_atom": -7.85677940368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.06961734,
"band_gap": 1.8875,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.119000Z",
"spacegroup": 1
},
{
"id": "mp-22179",
"created_at": "2022-09-04T14:40:57.544362Z",
"structure_string": "Y2 Ti2 Si2\n1.0\n4.037166 0.000000 0.000000\n0.000000 4.037166 0.000000\n0.000000 0.000000 7.595139\nY Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344301 Y\n0.500000 0.000000 0.655699 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.763440 Si\n0.500000 0.000000 0.236560 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Ti",
"Si"
],
"chemical_system": "Si-Ti-Y",
"density": 4.422838704325568,
"density_atomic": 0.0484688047261708,
"volume": 123.79096274186212,
"volume_molar": 12.424776707456822,
"formula_full": "Y2 Ti2 Si2",
"formula_reduced": "YTiSi",
"formula_anonymous": "ABC",
"energy": -43.46703606,
"energy_per_atom": -7.244506009999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.60903606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3366943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.566000Z",
"spacegroup": 129
},
{
"id": "mp-1101301",
"created_at": "2022-09-04T14:40:57.707953Z",
"structure_string": "Te2 O6\n1.0\n4.540508 2.619598 0.000000\n-4.540508 2.619598 0.000000\n0.000000 1.407318 5.194574\nTe O\n2 6\ndirect\n0.666701 0.333299 0.000000 Te\n0.333299 0.666701 0.000000 Te\n0.564329 0.942893 0.212577 O\n0.678679 0.678679 0.787225 O\n0.435671 0.057107 0.787423 O\n0.942893 0.564329 0.212577 O\n0.057107 0.435671 0.787423 O\n0.321321 0.321321 0.212775 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 4.719327586350834,
"density_atomic": 0.0647397411303243,
"volume": 123.57170202295998,
"volume_molar": 9.302077294188024,
"formula_full": "Te2 O6",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy": -46.70782697,
"energy_per_atom": -5.83847837125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.58582697,
"band_gap": 2.1595,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.506000Z",
"spacegroup": 12
},
{
"id": "mp-971909",
"created_at": "2022-09-04T14:41:00.391693Z",
"structure_string": "Zn2 Pd6\n1.0\n2.790936 -4.834042 0.000000\n2.790936 4.834042 0.000000\n0.000000 0.000000 4.493863\nZn Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.168271 0.336541 0.250000 Pd\n0.663459 0.831729 0.250000 Pd\n0.168271 0.831729 0.250000 Pd\n0.831729 0.663459 0.750000 Pd\n0.336541 0.168271 0.750000 Pd\n0.831729 0.168271 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Pd"
],
"chemical_system": "Pd-Zn",
"density": 10.53552447908249,
"density_atomic": 0.06597507094711158,
"volume": 121.25792189618319,
"volume_molar": 9.127903424048766,
"formula_full": "Zn2 Pd6",
"formula_reduced": "ZnPd3",
"formula_anonymous": "AB3",
"energy": -36.14994217,
"energy_per_atom": -4.51874277125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.14994217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.531000Z",
"spacegroup": 194
},
{
"id": "mp-1027833",
"created_at": "2022-09-04T14:40:57.475276Z",
"structure_string": "Mg14 Zr1 Nb1\n1.0\n6.405161 -0.000000 0.000000\n-3.202580 5.547031 -0.000000\n0.000000 0.000000 9.979758\nMg Zr Nb\n14 1 1\ndirect\n0.170815 0.835407 0.125000 Mg\n0.167453 0.833726 0.625000 Mg\n0.664593 0.329185 0.125000 Mg\n0.666274 0.332547 0.625000 Mg\n0.664593 0.835407 0.125000 Mg\n0.666274 0.833726 0.625000 Mg\n0.328529 0.171471 0.379346 Mg\n0.328529 0.171471 0.870654 Mg\n0.328529 0.657060 0.379346 Mg\n0.328529 0.657060 0.870654 Mg\n0.842940 0.171471 0.379346 Mg\n0.842940 0.171471 0.870654 Mg\n0.833333 0.666667 0.373337 Mg\n0.833333 0.666667 0.876663 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Nb"
],
"chemical_system": "Mg-Nb-Zr",
"density": 2.4558477621138803,
"density_atomic": 0.045124180615404456,
"volume": 354.5770755677264,
"volume_molar": 13.345706620862535,
"formula_full": "Mg14 Zr1 Nb1",
"formula_reduced": "Mg14ZrNb",
"formula_anonymous": "ABC14",
"energy": -39.1744721,
"energy_per_atom": -2.44840450625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.1744721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.903000Z",
"spacegroup": 187
}
]
}