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=-volume&page=10124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10122",
"results": [
{
"id": "mp-1094936",
"created_at": "2022-09-04T14:44:24.675847Z",
"structure_string": "Mg4 Cd2\n1.0\n1.607074 -8.086370 0.000000\n1.607074 8.086370 0.000000\n0.000000 0.000000 5.092442\nMg Cd\n4 2\ndirect\n0.109351 0.890649 0.250000 Mg\n0.778783 0.221217 0.250000 Mg\n0.221217 0.778783 0.750000 Mg\n0.890649 0.109351 0.750000 Mg\n0.443552 0.556448 0.250000 Cd\n0.556448 0.443552 0.750000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.040322589082497,
"density_atomic": 0.04533208343446664,
"volume": 132.35659041953747,
"volume_molar": 13.284500300335367,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.77598348,
"energy_per_atom": -1.4626639133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.77598348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.064000Z",
"spacegroup": 63
},
{
"id": "mp-2695",
"created_at": "2022-09-04T14:48:10.846145Z",
"structure_string": "Sb4 Os2\n1.0\n3.254066 0.000000 0.000000\n0.000000 6.014458 0.000000\n0.000000 0.000000 6.762471\nSb Os\n4 2\ndirect\n0.500000 0.318133 0.857643 Sb\n0.500000 0.681867 0.142357 Sb\n0.000000 0.181867 0.357643 Sb\n0.000000 0.818133 0.642357 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sb",
"Os"
],
"chemical_system": "Os-Sb",
"density": 10.88404457046045,
"density_atomic": 0.045333889427604114,
"volume": 132.35131765126155,
"volume_molar": 13.283971077789493,
"formula_full": "Sb4 Os2",
"formula_reduced": "Sb2Os",
"formula_anonymous": "AB2",
"energy": -39.06759497,
"energy_per_atom": -6.511265828333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.06759497,
"band_gap": 0.5332000000000008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.012000Z",
"spacegroup": 58
},
{
"id": "mp-1518257",
"created_at": "2022-09-04T14:39:36.632569Z",
"structure_string": "Eu1 Zr1 V1 Sn1 O6\n1.0\n-0.000000 -4.044755 -4.044755\n4.044755 0.000000 -4.044755\n4.044755 -4.044755 0.000000\nEu Zr V Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Zr\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Sn\n0.741292 0.258708 0.258708 O\n0.258708 0.741292 0.741292 O\n0.741292 0.258708 0.741292 O\n0.258708 0.741292 0.258708 O\n0.741292 0.741292 0.258708 O\n0.258708 0.258708 0.741292 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Zr",
"V",
"Sn",
"O"
],
"chemical_system": "Eu-O-Sn-V-Zr",
"density": 6.384401408883164,
"density_atomic": 0.07556024243950447,
"volume": 132.34473153002736,
"volume_molar": 7.96998602118235,
"formula_full": "Eu1 Zr1 V1 Sn1 O6",
"formula_reduced": "EuZrVSnO6",
"formula_anonymous": "ABCDE6",
"energy": -89.22064793000001,
"energy_per_atom": -8.922064793,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.39864793000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.598000Z",
"spacegroup": 216
},
{
"id": "mp-1523008",
"created_at": "2022-09-04T14:40:07.352567Z",
"structure_string": "Eu1 Zr1 Cr1 Bi1 O6\n1.0\n0.000000 -4.044644 -4.044644\n4.044644 0.000000 -4.044644\n4.044644 -4.044644 -0.000000\nEu Zr Cr Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Bi\n0.756573 0.243427 0.243427 O\n0.243427 0.756573 0.756573 O\n0.756573 0.243427 0.756573 O\n0.243427 0.756573 0.243427 O\n0.756573 0.756573 0.243427 O\n0.243427 0.243427 0.756573 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Zr",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-Eu-O-Zr",
"density": 7.530882883132209,
"density_atomic": 0.07556646356830224,
"volume": 132.33383604039247,
"volume_molar": 7.969329879460045,
"formula_full": "Eu1 Zr1 Cr1 Bi1 O6",
"formula_reduced": "EuZrCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -88.75378042,
"energy_per_atom": -8.875378042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.63278041999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.8635033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.770000Z",
"spacegroup": 216
},
{
"id": "mp-1220143",
"created_at": "2022-09-04T14:46:07.162379Z",
"structure_string": "Ni4 O6\n1.0\n2.785874 4.733447 0.000000\n-2.785874 4.733447 0.000000\n0.000000 3.270051 5.017548\nNi O\n4 6\ndirect\n0.181814 0.994937 0.500077 Ni\n0.829114 0.661701 0.509206 Ni\n0.994937 0.181814 0.000077 Ni\n0.661701 0.829114 0.009206 Ni\n0.288601 0.093195 0.128660 O\n0.918889 0.827864 0.134383 O\n0.657290 0.463311 0.102675 O\n0.093195 0.288601 0.628660 O\n0.827864 0.918889 0.634383 O\n0.463311 0.657290 0.602675 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.150636399269626,
"density_atomic": 0.07556826994170945,
"volume": 132.33067275079378,
"volume_molar": 7.969139381707766,
"formula_full": "Ni4 O6",
"formula_reduced": "Ni2O3",
"formula_anonymous": "A2B3",
"energy": -58.66685295,
"energy_per_atom": -5.866685295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.38085295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0003474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.103000Z",
"spacegroup": 9
},
{
"id": "mp-1225056",
"created_at": "2022-09-04T14:40:39.132116Z",
"structure_string": "Ga1 Fe1 Bi2 O6\n1.0\n3.750075 0.000000 0.000000\n0.136927 5.932596 0.000000\n0.173889 1.394168 5.948044\nGa Fe Bi O\n1 1 2 6\ndirect\n0.542737 0.007942 0.553177 Ga\n0.548589 0.522529 0.066456 Fe\n0.001535 0.005252 0.002448 Bi\n0.003672 0.496415 0.504830 Bi\n0.569824 0.800702 0.370602 O\n0.571628 0.306514 0.880100 O\n0.042559 0.078840 0.623470 O\n0.043483 0.572866 0.120553 O\n0.544959 0.327560 0.372325 O\n0.547614 0.830180 0.871440 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ga",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Ga-O",
"density": 8.025052070684476,
"density_atomic": 0.07556855178293599,
"volume": 132.33017920899317,
"volume_molar": 7.969109659925825,
"formula_full": "Ga1 Fe1 Bi2 O6",
"formula_reduced": "GaFe(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -66.69200026,
"energy_per_atom": -6.669200026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.31400026,
"band_gap": 1.6718000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0013741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.824000Z",
"spacegroup": 1
},
{
"id": "mp-13554",
"created_at": "2022-09-04T14:39:38.942689Z",
"structure_string": "Sn2 Hg2 O6\n1.0\n5.021241 -2.836887 0.000000\n5.021241 2.836887 0.000000\n3.418464 0.000000 4.644878\nSn Hg O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.250000 0.646489 0.853511 O\n0.853511 0.250000 0.646489 O\n0.646489 0.853511 0.250000 O\n0.750000 0.353511 0.146489 O\n0.353511 0.146489 0.750000 O\n0.146489 0.750000 0.353511 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Hg",
"O"
],
"chemical_system": "Hg-O-Sn",
"density": 9.218080204353802,
"density_atomic": 0.07556881104613651,
"volume": 132.32972520759614,
"volume_molar": 7.969082319322641,
"formula_full": "Sn2 Hg2 O6",
"formula_reduced": "SnHgO3",
"formula_anonymous": "ABC3",
"energy": -52.86142636,
"energy_per_atom": -5.286142636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.73942636000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.196000Z",
"spacegroup": 167
},
{
"id": "mp-752687",
"created_at": "2022-09-04T14:44:10.618698Z",
"structure_string": "Fe4 O6 F2\n1.0\n3.200488 -3.447228 0.000000\n3.200488 3.447228 0.000000\n0.000000 0.000000 5.997097\nFe O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.533418 0.466582 0.250000 Fe\n0.466582 0.533418 0.750000 Fe\n0.178155 0.821845 0.750000 O\n0.307452 0.307452 0.500000 O\n0.307452 0.307452 0.000000 O\n0.692548 0.692548 0.000000 O\n0.692548 0.692548 0.500000 O\n0.821845 0.178155 0.250000 O\n0.201040 0.798960 0.250000 F\n0.798960 0.201040 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.484497696918408,
"density_atomic": 0.09068260035536208,
"volume": 132.3296856615828,
"volume_molar": 6.640899948171711,
"formula_full": "Fe4 O6 F2",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy": -87.4606483,
"energy_per_atom": -7.288387358333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.3906483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4331417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.981000Z",
"spacegroup": 63
},
{
"id": "mp-1047355",
"created_at": "2022-09-04T14:40:28.826822Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n1.471008 -4.825388 0.000000\n1.471008 4.825388 0.000000\n0.000000 0.000000 9.321325\nMg Cu O\n2 4 8\ndirect\n0.607807 0.392193 0.750000 Mg\n0.392193 0.607807 0.250000 Mg\n0.132747 0.867253 0.070824 Cu\n0.867253 0.132747 0.929176 Cu\n0.132747 0.867253 0.429176 Cu\n0.867253 0.132747 0.570824 Cu\n0.780082 0.219918 0.385948 O\n0.219918 0.780082 0.614052 O\n0.219918 0.780082 0.885948 O\n0.780082 0.219918 0.114052 O\n0.040569 0.959431 0.250000 O\n0.959431 0.040569 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O",
"density": 5.405787674663143,
"density_atomic": 0.1057969420529635,
"volume": 132.328966493109,
"volume_molar": 5.692169020334471,
"formula_full": "Mg2 Cu4 O8",
"formula_reduced": "Mg(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -78.91140188,
"energy_per_atom": -5.636528705714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.41540188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.581000Z",
"spacegroup": 63
},
{
"id": "mp-1183675",
"created_at": "2022-09-04T14:39:24.715362Z",
"structure_string": "Cd2 Pd6\n1.0\n2.862717 -4.958371 0.000000\n2.862717 4.958371 0.000000\n0.000000 0.000000 4.661009\nCd Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.164541 0.329082 0.250000 Pd\n0.670918 0.835459 0.250000 Pd\n0.164541 0.835459 0.250000 Pd\n0.835459 0.670918 0.750000 Pd\n0.329082 0.164541 0.750000 Pd\n0.835459 0.164541 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd",
"density": 10.834393214291886,
"density_atomic": 0.06045923030104157,
"volume": 132.3205730566864,
"volume_molar": 9.960663954890364,
"formula_full": "Cd2 Pd6",
"formula_reduced": "CdPd3",
"formula_anonymous": "AB3",
"energy": -34.9023473,
"energy_per_atom": -4.3627934125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9023473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.842000Z",
"spacegroup": 194
},
{
"id": "mp-11332",
"created_at": "2022-09-04T14:40:34.415359Z",
"structure_string": "U3 B6 C3\n1.0\n4.034477 -3.273593 0.000000\n4.034477 3.273593 0.000000\n1.378269 0.000000 5.009370\nU B C\n3 6 3\ndirect\n0.689754 0.689754 0.689754 U\n0.310246 0.310246 0.310246 U\n0.000000 0.000000 0.000000 U\n0.771053 0.228947 0.500000 B\n0.228947 0.500000 0.771053 B\n0.500000 0.771053 0.228947 B\n0.228947 0.771053 0.500000 B\n0.771053 0.500000 0.228947 B\n0.500000 0.228947 0.771053 B\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"B",
"C"
],
"chemical_system": "B-C-U",
"density": 10.227596570110057,
"density_atomic": 0.09068933398867932,
"volume": 132.3198602549882,
"volume_molar": 6.640406864992238,
"formula_full": "U3 B6 C3",
"formula_reduced": "UB2C",
"formula_anonymous": "ABC2",
"energy": -106.26467992000002,
"energy_per_atom": -8.855389993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.26467992000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7918441,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.743000Z",
"spacegroup": 166
},
{
"id": "mp-1072982",
"created_at": "2022-09-04T14:41:13.384781Z",
"structure_string": "Gd2 Ge4\n1.0\n-2.008793 2.008793 8.197459\n2.008793 -2.008793 8.197459\n2.008793 2.008793 -8.197459\nGd Ge\n2 4\ndirect\n0.750000 0.250000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.171595 0.671595 0.500000 Ge\n0.578405 0.578405 0.000000 Ge\n0.328405 0.828405 0.500000 Ge\n0.421595 0.421595 0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"Ge"
],
"chemical_system": "Gd-Ge",
"density": 7.593428768385372,
"density_atomic": 0.045346276643691216,
"volume": 132.31516331859075,
"volume_molar": 13.280342303115702,
"formula_full": "Gd2 Ge4",
"formula_reduced": "GdGe2",
"formula_anonymous": "AB2",
"energy": -49.99811449,
"energy_per_atom": -8.333019081666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.99811449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8915585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.318000Z",
"spacegroup": 141
}
]
}