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=density&page=10215",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10213",
"results": [
{
"id": "mp-548",
"created_at": "2022-09-04T14:42:16.718563Z",
"structure_string": "Nb2 Cr4\n1.0\n0.000000 3.478551 3.478551\n3.478551 0.000000 3.478551\n3.478551 3.478551 0.000000\nNb Cr\n2 4\ndirect\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Nb\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"Cr"
],
"chemical_system": "Cr-Nb",
"density": 7.767773551473239,
"density_atomic": 0.07127317891516939,
"volume": 84.18314001598424,
"volume_molar": 8.449378646584096,
"formula_full": "Nb2 Cr4",
"formula_reduced": "NbCr2",
"formula_anonymous": "AB2",
"energy": -58.99160424,
"energy_per_atom": -9.83193404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.99160424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.396000Z",
"spacegroup": 227
},
{
"id": "mp-754223",
"created_at": "2022-09-04T14:47:04.811349Z",
"structure_string": "Ta2 Cu1 O6\n1.0\n2.585457 4.591709 0.000000\n-2.585457 4.591709 0.000000\n0.000000 3.127007 4.694579\nTa Cu O\n2 1 6\ndirect\n0.995738 0.496047 0.761752 Ta\n0.503953 0.004262 0.238248 Ta\n0.766127 0.233873 0.500000 Cu\n0.737449 0.882043 0.504173 O\n0.117957 0.262551 0.495827 O\n0.384503 0.615497 0.500000 O\n0.655667 0.344333 0.000000 O\n0.842953 0.760967 0.989781 O\n0.239033 0.157047 0.010219 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 7.76807812473511,
"density_atomic": 0.08074287069093332,
"volume": 111.46494944984185,
"volume_molar": 7.458417948813691,
"formula_full": "Ta2 Cu1 O6",
"formula_reduced": "Ta2CuO6",
"formula_anonymous": "AB2C6",
"energy": -81.81154455,
"energy_per_atom": -9.090171616666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.68954455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9977852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.691000Z",
"spacegroup": 5
},
{
"id": "mp-672238",
"created_at": "2022-09-04T14:45:55.137397Z",
"structure_string": "Ce2 Cu2 Sb4\n1.0\n4.400565 0.000000 0.000000\n0.000000 4.400565 0.000000\n0.000000 0.000000 9.872623\nCe Cu Sb\n2 2 4\ndirect\n0.500000 0.000000 0.245554 Ce\n0.000000 0.500000 0.754446 Ce\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.842068 Sb\n0.000000 0.500000 0.157932 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Sb"
],
"chemical_system": "Ce-Cu-Sb",
"density": 7.768085077374497,
"density_atomic": 0.04184470912314991,
"volume": 191.18307111314414,
"volume_molar": 14.391642064655548,
"formula_full": "Ce2 Cu2 Sb4",
"formula_reduced": "CeCuSb2",
"formula_anonymous": "ABC2",
"energy": -42.581969,
"energy_per_atom": -5.322746125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.813969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0590184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.850000Z",
"spacegroup": 129
},
{
"id": "mp-17722",
"created_at": "2022-09-04T14:46:11.587725Z",
"structure_string": "Pr4 Ta4 O16\n1.0\n5.556625 0.000000 0.000000\n0.000000 7.729848 0.000000\n0.000000 1.404241 7.681295\nPr Ta O\n4 4 16\ndirect\n0.221340 0.347692 0.898722 Pr\n0.721340 0.652308 0.601278 Pr\n0.778660 0.652308 0.101278 Pr\n0.278660 0.347692 0.398722 Pr\n0.732970 0.165326 0.694123 Ta\n0.232970 0.834674 0.805877 Ta\n0.267030 0.834674 0.305877 Ta\n0.767030 0.165326 0.194123 Ta\n0.507196 0.329547 0.130409 O\n0.007196 0.670453 0.369591 O\n0.492804 0.670453 0.869591 O\n0.992804 0.329547 0.630409 O\n0.983634 0.382790 0.170849 O\n0.483634 0.617210 0.329151 O\n0.016366 0.617210 0.829151 O\n0.516366 0.382790 0.670849 O\n0.846554 0.167911 0.944871 O\n0.346554 0.832089 0.555129 O\n0.153446 0.832089 0.055129 O\n0.653446 0.167911 0.444871 O\n0.411068 0.056632 0.795224 O\n0.911068 0.943368 0.704776 O\n0.588932 0.943368 0.204776 O\n0.088932 0.056632 0.295224 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 7.768096809065901,
"density_atomic": 0.07274359407840192,
"volume": 329.9259584855427,
"volume_molar": 8.278585676574394,
"formula_full": "Pr4 Ta4 O16",
"formula_reduced": "PrTaO4",
"formula_anonymous": "ABC4",
"energy": -233.3151506,
"energy_per_atom": -9.721464608333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.3231506,
"band_gap": 3.5794,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.620000Z",
"spacegroup": 14
},
{
"id": "mp-1183467",
"created_at": "2022-09-04T14:41:23.745874Z",
"structure_string": "Ca1 Ce1 Rh2\n1.0\n0.000000 3.455386 3.455386\n3.455386 0.000000 3.455386\n3.455386 3.455386 0.000000\nCa Ce Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ce\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ce",
"Rh"
],
"chemical_system": "Ca-Ce-Rh",
"density": 7.768234444921355,
"density_atomic": 0.0484775081153493,
"volume": 82.5124919887021,
"volume_molar": 12.42254603035841,
"formula_full": "Ca1 Ce1 Rh2",
"formula_reduced": "CaCeRh2",
"formula_anonymous": "ABC2",
"energy": -24.88232891,
"energy_per_atom": -6.2205822275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.88232891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.683000Z",
"spacegroup": 225
},
{
"id": "mp-581427",
"created_at": "2022-09-04T14:44:55.148609Z",
"structure_string": "Eu6 Re2 O14\n1.0\n3.832617 -5.505031 0.000000\n3.832617 5.505031 0.000000\n0.000000 0.000000 7.640037\nEu Re O\n6 2 14\ndirect\n0.488056 0.968440 0.750000 Eu\n0.000000 0.000000 0.500000 Eu\n0.031560 0.511944 0.250000 Eu\n0.968440 0.488056 0.750000 Eu\n0.511944 0.031560 0.250000 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.147783 0.878072 0.250000 O\n0.556710 0.799871 0.481586 O\n0.799871 0.556710 0.018414 O\n0.443290 0.200129 0.981586 O\n0.556710 0.799871 0.018414 O\n0.530185 0.530185 0.750000 O\n0.852217 0.121928 0.750000 O\n0.121928 0.852217 0.750000 O\n0.200129 0.443290 0.981586 O\n0.878072 0.147783 0.250000 O\n0.443290 0.200129 0.518414 O\n0.469815 0.469815 0.250000 O\n0.799871 0.556710 0.481586 O\n0.200129 0.443290 0.518414 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Re",
"O"
],
"chemical_system": "Eu-O-Re",
"density": 7.768271418282013,
"density_atomic": 0.06824047368426414,
"volume": 322.3893213547999,
"volume_molar": 8.824881239633994,
"formula_full": "Eu6 Re2 O14",
"formula_reduced": "Eu3ReO7",
"formula_anonymous": "AB3C7",
"energy": -220.91036683,
"energy_per_atom": -10.041380310454544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.29236683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.4072654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.298000Z",
"spacegroup": 63
},
{
"id": "mp-1272324",
"created_at": "2022-09-04T14:47:09.416663Z",
"structure_string": "Ta8 Cr4 O24\n1.0\n4.826353 -0.021960 0.042715\n0.102262 -4.872604 9.378965\n0.043914 -9.656656 0.047263\nTa Cr O\n8 4 24\ndirect\n0.505862 0.166165 0.170482 Ta\n0.499501 0.170982 0.667065 Ta\n0.997692 0.668100 0.161943 Ta\n0.003367 0.667411 0.666043 Ta\n0.494147 0.833813 0.829572 Ta\n0.500532 0.828975 0.332868 Ta\n0.996523 0.332661 0.333894 Ta\n0.002470 0.331973 0.838095 Ta\n0.499906 0.499937 0.000107 Cr\n0.000157 0.000020 0.500054 Cr\n0.499822 0.499807 0.500183 Cr\n0.999388 0.000192 0.999793 Cr\n0.311969 0.997860 0.342898 O\n0.313747 0.001766 0.844282 O\n0.194565 0.502250 0.846160 O\n0.174640 0.499050 0.337350 O\n0.805547 0.497729 0.153810 O\n0.825508 0.500939 0.662648 O\n0.686025 0.998228 0.155640 O\n0.688288 0.002114 0.657197 O\n0.290829 0.309236 0.205244 O\n0.306833 0.327582 0.692443 O\n0.203637 0.825808 0.684488 O\n0.192981 0.820411 0.186856 O\n0.776387 0.810495 0.987120 O\n0.789683 0.811489 0.481002 O\n0.796585 0.174145 0.315513 O\n0.806810 0.179754 0.812992 O\n0.223655 0.189472 0.012933 O\n0.210447 0.188553 0.518894 O\n0.713388 0.321861 0.992610 O\n0.705162 0.322123 0.490720 O\n0.286728 0.678068 0.007472 O\n0.294811 0.677936 0.509220 O\n0.709280 0.690764 0.794780 O\n0.693129 0.672329 0.307628 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ta",
"density": 7.768387137049854,
"density_atomic": 0.08257512881408398,
"volume": 435.96662235978073,
"volume_molar": 7.29292324031212,
"formula_full": "Ta8 Cr4 O24",
"formula_reduced": "Ta2CrO6",
"formula_anonymous": "AB2C6",
"energy": -361.83046735,
"energy_per_atom": -10.050846315277777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.34646735,
"band_gap": 1.0468000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.106000Z",
"spacegroup": 2
},
{
"id": "mp-1008902",
"created_at": "2022-09-04T14:42:46.139215Z",
"structure_string": "Lu1 Sb2\n1.0\n1.642893 -3.155047 0.000000\n1.642893 3.155047 0.000000\n0.000000 0.000000 8.628783\nLu Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.000000 0.711427 Sb\n0.000000 0.500000 0.288573 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"Sb"
],
"chemical_system": "Lu-Sb",
"density": 7.768486468041948,
"density_atomic": 0.03353718444219607,
"volume": 89.45294752368768,
"volume_molar": 17.956608046151356,
"formula_full": "Lu1 Sb2",
"formula_reduced": "LuSb2",
"formula_anonymous": "AB2",
"energy": -13.725917719999998,
"energy_per_atom": -4.575305906666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.341917719999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000699,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.410000Z",
"spacegroup": 21
},
{
"id": "mp-20173",
"created_at": "2022-09-04T14:41:46.584861Z",
"structure_string": "Ce1 Cu2 Ge2\n1.0\n-2.076920 2.076920 5.110018\n2.076920 -2.076920 5.110018\n2.076920 2.076920 -5.110018\nCe Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.622133 0.622133 0.000000 Ge\n0.377867 0.377867 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Ge"
],
"chemical_system": "Ce-Cu-Ge",
"density": 7.768523037565995,
"density_atomic": 0.05670848515071037,
"volume": 88.1702268489774,
"volume_molar": 10.619470338513464,
"formula_full": "Ce1 Cu2 Ge2",
"formula_reduced": "Ce(CuGe)2",
"formula_anonymous": "AB2C2",
"energy": -25.87477925,
"energy_per_atom": -5.17495585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.87477925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1860551,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.246000Z",
"spacegroup": 139
},
{
"id": "mp-1225275",
"created_at": "2022-09-04T14:43:04.261005Z",
"structure_string": "Dy2 O3\n1.0\n3.787963 0.000000 0.000000\n0.000000 3.787963 0.000000\n0.000000 0.000000 5.556509\nDy O\n2 3\ndirect\n0.500000 0.000000 0.788538 Dy\n0.000000 0.500000 0.211462 Dy\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Dy",
"O"
],
"chemical_system": "Dy-O",
"density": 7.768592743769653,
"density_atomic": 0.06271284824734123,
"volume": 79.72847892795205,
"volume_molar": 9.602722453696423,
"formula_full": "Dy2 O3",
"formula_reduced": "Dy2O3",
"formula_anonymous": "A2B3",
"energy": -42.8365537,
"energy_per_atom": -8.56731074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.7755537,
"band_gap": 1.5409000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.610000Z",
"spacegroup": 115
},
{
"id": "mp-1078429",
"created_at": "2022-09-04T14:46:04.891428Z",
"structure_string": "Eu2 Ga6 Pd2\n1.0\n3.216057 -5.238435 0.000000\n3.216057 5.238435 0.000000\n0.000000 0.000000 5.931997\nEu Ga Pd\n2 6 2\ndirect\n0.233806 0.766194 0.750000 Eu\n0.766194 0.233806 0.250000 Eu\n0.664138 0.335862 0.750000 Ga\n0.335862 0.664138 0.250000 Ga\n0.715304 0.715304 0.000000 Ga\n0.715304 0.715304 0.500000 Ga\n0.284696 0.284696 0.000000 Ga\n0.284696 0.284696 0.500000 Ga\n0.902618 0.097382 0.750000 Pd\n0.097382 0.902618 0.250000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Ga",
"Pd"
],
"chemical_system": "Eu-Ga-Pd",
"density": 7.7687961495566205,
"density_atomic": 0.050031530077385665,
"volume": 199.87395917199856,
"volume_molar": 12.036691163922683,
"formula_full": "Eu2 Ga6 Pd2",
"formula_reduced": "EuGa3Pd",
"formula_anonymous": "ABC3",
"energy": -55.66965075,
"energy_per_atom": -5.566965075000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.66965075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8462664,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.459000Z",
"spacegroup": 63
},
{
"id": "mp-1071283",
"created_at": "2022-09-04T14:47:55.516380Z",
"structure_string": "Nb4 Fe2\n1.0\n0.000000 3.724181 3.724181\n3.724181 0.000000 3.724181\n3.724181 3.724181 0.000000\nNb Fe\n4 2\ndirect\n0.625000 0.625000 0.125000 Nb\n0.625000 0.125000 0.625000 Nb\n0.125000 0.625000 0.625000 Nb\n0.625000 0.625000 0.625000 Nb\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nb",
"Fe"
],
"chemical_system": "Fe-Nb",
"density": 7.768863711784166,
"density_atomic": 0.05808030849138254,
"volume": 103.30523641915966,
"volume_molar": 10.36864458268763,
"formula_full": "Nb4 Fe2",
"formula_reduced": "Nb2Fe",
"formula_anonymous": "AB2",
"energy": -53.6891177,
"energy_per_atom": -8.948186283333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.6891177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6738008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.613000Z",
"spacegroup": 227
}
]
}