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=formula_anonymous&page=10375",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10373",
"results": [
{
"id": "mp-1206777",
"created_at": "2022-09-04T14:46:22.633209Z",
"structure_string": "Mn3 As1 N1\n1.0\n4.803102 0.000000 0.000000\n0.000000 4.803102 0.000000\n0.000000 0.000000 4.803102\nMn As N\n3 1 1\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"As",
"N"
],
"chemical_system": "As-Mn-N",
"density": 3.8025660993085273,
"density_atomic": 0.04512368675573263,
"volume": 110.80654883246629,
"volume_molar": 13.345852683978514,
"formula_full": "Mn3 As1 N1",
"formula_reduced": "Mn3AsN",
"formula_anonymous": "ABC3",
"energy": -33.08236578,
"energy_per_atom": -6.6164731560000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.72136578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0074538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.217000Z",
"spacegroup": 221
},
{
"id": "mp-1219584",
"created_at": "2022-09-04T14:46:58.721931Z",
"structure_string": "Rb1 N1 O3\n1.0\n4.509225 -0.074672 1.495286\n1.056587 4.384325 1.495286\n-0.096438 -0.074672 4.749704\nRb N O\n1 1 3\ndirect\n0.494914 0.494914 0.494914 Rb\n0.033743 0.033743 0.033743 N\n0.294442 0.904900 0.904900 O\n0.904900 0.294442 0.904900 O\n0.904900 0.904900 0.294442 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"N",
"O"
],
"chemical_system": "N-O-Rb",
"density": 2.5694934938741376,
"density_atomic": 0.052463444106474244,
"volume": 95.30445599134761,
"volume_molar": 11.478736980702413,
"formula_full": "Rb1 N1 O3",
"formula_reduced": "RbNO3",
"formula_anonymous": "ABC3",
"energy": -31.26816154,
"energy_per_atom": -6.253632308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.20716154,
"band_gap": 3.0415,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.793000Z",
"spacegroup": 160
},
{
"id": "mp-19147",
"created_at": "2022-09-04T14:46:25.288362Z",
"structure_string": "Ni2 C2 O6\n1.0\n5.141060 -2.327343 0.000000\n5.141060 2.327343 0.000000\n4.087478 0.000000 3.890957\nNi C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.250000 0.250000 0.250000 C\n0.750000 0.750000 0.750000 C\n0.528469 0.971531 0.250000 O\n0.971531 0.250000 0.528469 O\n0.750000 0.471531 0.028469 O\n0.471531 0.028469 0.750000 O\n0.028469 0.750000 0.471531 O\n0.250000 0.528469 0.971531 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"C",
"O"
],
"chemical_system": "C-Ni-O",
"density": 4.23388184609839,
"density_atomic": 0.107399066602856,
"volume": 93.11067885699926,
"volume_molar": 5.607256143360054,
"formula_full": "Ni2 C2 O6",
"formula_reduced": "NiCO3",
"formula_anonymous": "ABC3",
"energy": -76.25219773,
"energy_per_atom": -7.625219773,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.04819773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.143000Z",
"spacegroup": 167
},
{
"id": "mp-674981",
"created_at": "2022-09-04T14:46:22.608165Z",
"structure_string": "Ag3 S1 I1\n1.0\n4.876098 0.000000 0.000000\n0.000000 5.020287 0.000000\n0.000000 0.210168 5.055536\nAg S I\n3 1 1\ndirect\n0.000000 0.515348 0.885060 Ag\n0.500000 0.996214 0.138166 Ag\n0.000000 0.110619 0.483941 Ag\n0.000000 0.001854 0.990907 S\n0.500000 0.506065 0.501926 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ag",
"S",
"I"
],
"chemical_system": "Ag-I-S",
"density": 6.475076465078784,
"density_atomic": 0.040401903398936345,
"volume": 123.75654559214739,
"volume_molar": 14.905586750545384,
"formula_full": "Ag3 S1 I1",
"formula_reduced": "Ag3SI",
"formula_anonymous": "ABC3",
"energy": -15.44051855,
"energy_per_atom": -3.08810371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.558518550000002,
"band_gap": 0.2623999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.002000Z",
"spacegroup": 6
},
{
"id": "mp-1080068",
"created_at": "2022-09-04T14:46:13.875076Z",
"structure_string": "Cu2 C2 O6\n1.0\n5.386227 0.000000 0.000000\n0.000000 2.865461 0.000000\n0.000000 1.512406 9.187440\nCu C O\n2 2 6\ndirect\n0.498602 0.999567 0.000608 Cu\n0.998602 0.000433 0.999392 Cu\n0.242278 0.891998 0.340284 C\n0.742278 0.108002 0.659716 C\n0.457810 0.829756 0.338904 O\n0.957810 0.170244 0.661096 O\n0.026419 0.953018 0.341301 O\n0.526419 0.046982 0.658699 O\n0.248290 0.490664 0.017952 O\n0.748290 0.509336 0.982048 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-O",
"density": 2.893779237270859,
"density_atomic": 0.07052227755124588,
"volume": 141.79916399797747,
"volume_molar": 8.539345252461448,
"formula_full": "Cu2 C2 O6",
"formula_reduced": "CuCO3",
"formula_anonymous": "ABC3",
"energy": -69.43846078,
"energy_per_atom": -6.943846078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.31646078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0484955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.432000Z",
"spacegroup": 4
},
{
"id": "mp-976293",
"created_at": "2022-09-04T14:46:25.936563Z",
"structure_string": "Na1 Cd1 O3\n1.0\n4.256636 0.000000 0.000000\n0.000000 4.256636 0.000000\n0.000000 0.000000 4.256636\nNa Cd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Cd",
"O"
],
"chemical_system": "Cd-Na-O",
"density": 3.948630055695392,
"density_atomic": 0.06482917026779345,
"volume": 77.1257750075502,
"volume_molar": 9.289245466391147,
"formula_full": "Na1 Cd1 O3",
"formula_reduced": "NaCdO3",
"formula_anonymous": "ABC3",
"energy": -20.18643129,
"energy_per_atom": -4.037286258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.12543129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1038432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.362000Z",
"spacegroup": 221
},
{
"id": "mp-1105218",
"created_at": "2022-09-04T14:46:21.626648Z",
"structure_string": "Na4 Os4 O12\n1.0\n5.431191 0.000044 0.000902\n0.000050 7.653059 0.002484\n0.000859 0.001751 5.391484\nNa Os O\n4 4 12\ndirect\n0.032660 0.249859 0.993372 Na\n0.967341 0.750140 0.006628 Na\n0.532597 0.250034 0.506670 Na\n0.467402 0.749966 0.493329 Na\n0.999999 0.000000 0.500000 Os\n0.000001 0.500000 0.500001 Os\n0.500001 0.500000 0.000001 Os\n0.500000 0.000000 0.999999 Os\n0.489038 0.249914 0.081375 O\n0.510962 0.750086 0.918624 O\n0.989066 0.250079 0.418704 O\n0.010934 0.749921 0.581296 O\n0.289683 0.040926 0.709191 O\n0.710293 0.540867 0.290760 O\n0.710317 0.959074 0.290809 O\n0.289708 0.459133 0.709240 O\n0.789675 0.459111 0.790804 O\n0.210265 0.959091 0.209202 O\n0.210324 0.540889 0.209196 O\n0.789735 0.040909 0.790799 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Os",
"O"
],
"chemical_system": "Na-O-Os",
"density": 7.742366699126352,
"density_atomic": 0.08924658250407383,
"volume": 224.09821685986756,
"volume_molar": 6.747755029975639,
"formula_full": "Na4 Os4 O12",
"formula_reduced": "NaOsO3",
"formula_anonymous": "ABC3",
"energy": -142.66290221,
"energy_per_atom": -7.1331451105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.41890221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.884000Z",
"spacegroup": 62
},
{
"id": "mp-625913",
"created_at": "2022-09-04T14:46:26.497891Z",
"structure_string": "Te8 H8 O24\n1.0\n8.348498 0.000000 0.000000\n0.000000 4.959516 0.000000\n0.000000 0.243792 11.712708\nTe H O\n8 8 24\ndirect\n0.787194 0.987767 0.608978 Te\n0.715309 0.486233 0.380401 Te\n0.284691 0.486233 0.880401 Te\n0.212806 0.987767 0.108978 Te\n0.897582 0.815207 0.929247 Te\n0.589981 0.382086 0.074371 Te\n0.410019 0.382086 0.574371 Te\n0.102418 0.815207 0.429247 Te\n0.016611 0.229400 0.703506 H\n0.586436 0.922803 0.316745 H\n0.413564 0.922803 0.816745 H\n0.983389 0.229400 0.203506 H\n0.722888 0.984015 0.142831 H\n0.277112 0.984015 0.642831 H\n0.749811 0.548052 0.718659 H\n0.250189 0.548052 0.218659 H\n0.989548 0.804422 0.578122 O\n0.517853 0.298249 0.426509 O\n0.482147 0.298249 0.926509 O\n0.010452 0.804422 0.078122 O\n0.841685 0.222383 0.476077 O\n0.666711 0.724489 0.514824 O\n0.333289 0.724489 0.014824 O\n0.158315 0.222383 0.976077 O\n0.900092 0.213445 0.717809 O\n0.599018 0.743254 0.284254 O\n0.400982 0.743254 0.784254 O\n0.099908 0.213445 0.217809 O\n0.919856 0.666209 0.347172 O\n0.603208 0.191822 0.654217 O\n0.396792 0.191822 0.154217 O\n0.080144 0.666209 0.847172 O\n0.797397 0.484687 0.970994 O\n0.685605 0.019207 0.063202 O\n0.314395 0.019207 0.563202 O\n0.202603 0.484687 0.470994 O\n0.752281 0.739806 0.740679 O\n0.736336 0.276129 0.248493 O\n0.263664 0.276129 0.748493 O\n0.247719 0.739806 0.240679 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.837711032362134,
"density_atomic": 0.08248121159082453,
"volume": 484.9589285670693,
"volume_molar": 7.301227326624192,
"formula_full": "Te8 H8 O24",
"formula_reduced": "TeHO3",
"formula_anonymous": "ABC3",
"energy": -225.08826243,
"energy_per_atom": -5.6272065607499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.60026243,
"band_gap": 2.0717000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.377000Z",
"spacegroup": 7
},
{
"id": "mp-29882",
"created_at": "2022-09-04T14:46:22.460082Z",
"structure_string": "Cs4 Pd4 Cl12\n1.0\n-4.609746 5.336136 7.007292\n4.609746 -5.336136 7.007292\n4.609746 5.336136 -7.007292\nCs Pd Cl\n4 4 12\ndirect\n0.175537 0.425537 0.250000 Cs\n0.824463 0.074463 0.250000 Cs\n0.824463 0.574463 0.750000 Cs\n0.175537 0.925537 0.750000 Cs\n0.594696 0.948404 0.646292 Pd\n0.405304 0.051596 0.353708 Pd\n0.697889 0.551596 0.146292 Pd\n0.302111 0.448404 0.853708 Pd\n0.666494 0.103782 0.562711 Cl\n0.333506 0.896218 0.437289 Cl\n0.458929 0.396218 0.062711 Cl\n0.541071 0.603782 0.937289 Cl\n0.853267 0.003998 0.849270 Cl\n0.146733 0.996002 0.150730 Cl\n0.845272 0.496002 0.349270 Cl\n0.154728 0.503998 0.650730 Cl\n0.075271 0.292945 0.782327 Cl\n0.924729 0.707055 0.217673 Cl\n0.489382 0.207055 0.282327 Cl\n0.510618 0.792945 0.717673 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cs",
"Pd",
"Cl"
],
"chemical_system": "Cl-Cs-Pd",
"density": 3.330234707454555,
"density_atomic": 0.029007874188193103,
"volume": 689.4679654995359,
"volume_molar": 20.760365688745143,
"formula_full": "Cs4 Pd4 Cl12",
"formula_reduced": "CsPdCl3",
"formula_anonymous": "ABC3",
"energy": -76.14918646999999,
"energy_per_atom": -3.8074593234999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.78118647,
"band_gap": 1.4655,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.269000Z",
"spacegroup": 72
},
{
"id": "mp-705845",
"created_at": "2022-09-04T14:46:18.269927Z",
"structure_string": "Ba4 Fe4 O12\n1.0\n12.678984 -3.091246 0.000000\n12.678984 3.091246 0.000000\n11.925312 0.000000 5.300885\nBa Fe O\n4 4 12\ndirect\n0.971516 0.971516 0.971516 Ba\n0.563662 0.563662 0.563662 Ba\n0.388168 0.388168 0.388168 Ba\n0.200698 0.200698 0.200698 Ba\n0.837651 0.837651 0.837651 Fe\n0.766340 0.766340 0.766340 Fe\n0.671310 0.671310 0.671310 Fe\n0.293249 0.293249 0.293249 Fe\n0.494716 0.494716 0.008510 O\n0.494716 0.008510 0.494716 O\n0.400416 0.400416 0.988832 O\n0.400416 0.988832 0.400416 O\n0.988832 0.400416 0.400416 O\n0.154493 0.701198 0.701198 O\n0.701198 0.154493 0.701198 O\n0.701198 0.701198 0.154493 O\n0.612203 0.071804 0.612203 O\n0.071804 0.612203 0.612203 O\n0.612203 0.612203 0.071804 O\n0.008510 0.494716 0.494716 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O",
"density": 3.855106080137357,
"density_atomic": 0.04813196544876182,
"volume": 415.52427401475444,
"volume_molar": 12.511728336568307,
"formula_full": "Ba4 Fe4 O12",
"formula_reduced": "BaFeO3",
"formula_anonymous": "ABC3",
"energy": -134.71743931999998,
"energy_per_atom": -6.7358719659999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.44943932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9953491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.361000Z",
"spacegroup": 160
},
{
"id": "mp-1181816",
"created_at": "2022-09-04T14:46:22.156908Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n2.789257 2.557690 12.840305\n-2.642166 2.888132 5.828997\n-2.403088 -3.707455 -4.162546\nMn Sn O\n2 2 6\ndirect\n0.403660 0.494111 0.073443 Mn\n0.596340 0.505889 0.926557 Mn\n0.761357 0.698488 0.835270 Sn\n0.238643 0.301512 0.164730 Sn\n0.884615 0.484456 0.599827 O\n0.582846 0.172634 0.876661 O\n0.324073 0.488766 0.245973 O\n0.115385 0.515544 0.400173 O\n0.417154 0.827366 0.123339 O\n0.675927 0.511234 0.754027 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 4.1427300865391965,
"density_atomic": 0.056279103037472064,
"volume": 177.68584537215784,
"volume_molar": 10.700491718907292,
"formula_full": "Mn2 Sn2 O6",
"formula_reduced": "MnSnO3",
"formula_anonymous": "ABC3",
"energy": -75.32897433,
"energy_per_atom": -7.532897433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.87097433,
"band_gap": 0.1836000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.250000Z",
"spacegroup": 2
},
{
"id": "mp-866095",
"created_at": "2022-09-04T14:46:57.420782Z",
"structure_string": "Ce1 Ni1 O3\n1.0\n3.785418 0.000000 0.000000\n0.000000 3.785418 0.000000\n0.000000 0.000000 3.785418\nCe Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\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": [
"Ce",
"Ni",
"O"
],
"chemical_system": "Ce-Ni-O",
"density": 7.555550238569517,
"density_atomic": 0.09217825357007085,
"volume": 54.242728695214055,
"volume_molar": 6.533146948181404,
"formula_full": "Ce1 Ni1 O3",
"formula_reduced": "CeNiO3",
"formula_anonymous": "ABC3",
"energy": -38.54421498000001,
"energy_per_atom": -7.708842996000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.94221498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9985689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.882000Z",
"spacegroup": 221
}
]
}