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=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12133",
"results": [
{
"id": "mp-1008630",
"created_at": "2022-09-04T14:40:25.390224Z",
"structure_string": "W1 C1\n1.0\n2.733434 0.000000 0.000000\n0.000000 2.733434 0.000000\n0.000000 0.000000 2.733434\nW C\n1 1\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 15.923863613474754,
"density_atomic": 0.09792739893860651,
"volume": 20.42329339569059,
"volume_molar": 6.149597380581355,
"formula_full": "W1 C1",
"formula_reduced": "WC",
"formula_anonymous": "AB",
"energy": -20.63219277,
"energy_per_atom": -10.316096385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.63219277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.786000Z",
"spacegroup": 221
},
{
"id": "mp-1221583",
"created_at": "2022-09-04T14:40:16.397759Z",
"structure_string": "Mn1 Ir1\n1.0\n4.308280 -1.324597 0.000000\n4.308280 1.324597 0.000000\n3.901028 0.000000 2.257834\nMn Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.926079710024855,
"density_atomic": 0.07761046819974383,
"volume": 25.76971955448919,
"volume_molar": 7.75944392514292,
"formula_full": "Mn1 Ir1",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy": -18.10818441,
"energy_per_atom": -9.054092205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.10818441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3729957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.128000Z",
"spacegroup": 166
},
{
"id": "mp-1024990",
"created_at": "2022-09-04T14:42:47.235555Z",
"structure_string": "Lu1 B2 Ir3\n1.0\n2.720135 -4.711412 0.000000\n2.720135 4.711412 0.000000\n0.000000 0.000000 3.145349\nLu B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Lu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ir"
],
"chemical_system": "B-Ir-Lu",
"density": 15.926598466068288,
"density_atomic": 0.07442363392256623,
"volume": 80.61955166342288,
"volume_molar": 8.09170480208708,
"formula_full": "Lu1 B2 Ir3",
"formula_reduced": "LuB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -48.53130073999999,
"energy_per_atom": -8.088550123333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.53130073999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012939,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.714000Z",
"spacegroup": 191
},
{
"id": "mp-1025071",
"created_at": "2022-09-04T14:41:22.093554Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n2.815379 -4.876380 0.000000\n2.815379 4.876380 0.000000\n0.000000 0.000000 2.928812\nYb B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Yb\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"B",
"Ir"
],
"chemical_system": "B-Ir-Yb",
"density": 15.926628481861565,
"density_atomic": 0.0746097098711994,
"volume": 80.41848722315031,
"volume_molar": 8.071524162734544,
"formula_full": "Yb1 B2 Ir3",
"formula_reduced": "YbB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -45.36337783,
"energy_per_atom": -7.560562971666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.36337783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.272000Z",
"spacegroup": 191
},
{
"id": "mp-567618",
"created_at": "2022-09-04T14:42:50.995857Z",
"structure_string": "Si20 Pt48\n1.0\n13.570919 0.000000 0.000000\n0.000000 13.570919 0.000000\n0.000000 0.000000 5.618632\nSi Pt\n20 48\ndirect\n0.185374 0.884434 0.985420 Si\n0.692981 0.886864 0.565609 Si\n0.886864 0.307019 0.434391 Si\n0.113136 0.692981 0.434391 Si\n0.307019 0.113136 0.565609 Si\n0.000000 0.000000 0.500000 Si\n0.115566 0.185374 0.014580 Si\n0.814626 0.115566 0.985420 Si\n0.807019 0.613136 0.434391 Si\n0.314626 0.615566 0.014580 Si\n0.685374 0.384434 0.014580 Si\n0.615566 0.685374 0.985420 Si\n0.386864 0.807019 0.565609 Si\n0.884434 0.814626 0.014580 Si\n0.192981 0.386864 0.434391 Si\n0.000000 0.500000 0.945313 Si\n0.384434 0.314626 0.985420 Si\n0.500000 0.000000 0.054687 Si\n0.613136 0.192981 0.565609 Si\n0.500000 0.500000 0.500000 Si\n0.646806 0.018371 0.307154 Pt\n0.666018 0.207133 0.097925 Pt\n0.481629 0.146806 0.307154 Pt\n0.146806 0.518371 0.692846 Pt\n0.147131 0.534699 0.192958 Pt\n0.707133 0.833982 0.097925 Pt\n0.153320 0.213705 0.463004 Pt\n0.353194 0.981629 0.307154 Pt\n0.286295 0.653320 0.463004 Pt\n0.462920 0.655648 0.755072 Pt\n0.962920 0.155648 0.244928 Pt\n0.465301 0.147131 0.807042 Pt\n0.155648 0.037080 0.755072 Pt\n0.655648 0.537080 0.244928 Pt\n0.213705 0.846680 0.536996 Pt\n0.833982 0.292867 0.902075 Pt\n0.981629 0.646806 0.692846 Pt\n0.037080 0.844352 0.244928 Pt\n0.786295 0.153320 0.536996 Pt\n0.018371 0.353194 0.692846 Pt\n0.207133 0.333982 0.902075 Pt\n0.519684 0.353789 0.254256 Pt\n0.846680 0.786295 0.463004 Pt\n0.344352 0.462920 0.244928 Pt\n0.292867 0.166018 0.097925 Pt\n0.537080 0.344352 0.755072 Pt\n0.852869 0.465301 0.192958 Pt\n0.713705 0.346680 0.463004 Pt\n0.647131 0.034699 0.807042 Pt\n0.646211 0.519684 0.745744 Pt\n0.792867 0.666018 0.902075 Pt\n0.653320 0.713705 0.536996 Pt\n0.844352 0.962920 0.755072 Pt\n0.965301 0.647131 0.192958 Pt\n0.480316 0.646211 0.254256 Pt\n0.352869 0.965301 0.807042 Pt\n0.853789 0.980316 0.254256 Pt\n0.166018 0.707133 0.902075 Pt\n0.019684 0.853789 0.745744 Pt\n0.034699 0.352869 0.192958 Pt\n0.534699 0.852869 0.807042 Pt\n0.980316 0.146211 0.745744 Pt\n0.346680 0.286295 0.536996 Pt\n0.333982 0.792867 0.097925 Pt\n0.353789 0.480316 0.745744 Pt\n0.853194 0.481629 0.692846 Pt\n0.518371 0.853194 0.307154 Pt\n0.146211 0.019684 0.254256 Pt\n",
"nsites": 68,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 15.928063368455492,
"density_atomic": 0.06571428813794189,
"volume": 1034.7825705310865,
"volume_molar": 9.164126905489457,
"formula_full": "Si20 Pt48",
"formula_reduced": "Si5Pt12",
"formula_anonymous": "A5B12",
"energy": -439.28535066,
"energy_per_atom": -6.4600786861764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -439.28535066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000507,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.263000Z",
"spacegroup": 85
},
{
"id": "mp-1184653",
"created_at": "2022-09-04T14:44:44.717617Z",
"structure_string": "H2 W6\n1.0\n5.509534 0.000000 0.000000\n-2.754767 4.771397 0.000000\n0.000000 0.000000 4.382377\nH W\n2 6\ndirect\n0.333333 0.666666 0.750000 H\n0.666667 0.333334 0.250001 H\n0.165165 0.330330 0.250001 W\n0.669670 0.834834 0.250001 W\n0.165165 0.834834 0.250001 W\n0.834834 0.669668 0.750000 W\n0.330332 0.165167 0.750000 W\n0.834836 0.165167 0.750000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 15.928070929823859,
"density_atomic": 0.0694416178901734,
"volume": 115.20468910520688,
"volume_molar": 8.672235675044929,
"formula_full": "H2 W6",
"formula_reduced": "HW3",
"formula_anonymous": "AB3",
"energy": -75.83338459,
"energy_per_atom": -9.47917307375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.83338459,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.050000Z",
"spacegroup": 194
},
{
"id": "mp-1697",
"created_at": "2022-09-04T14:40:43.009708Z",
"structure_string": "Tb2 Pt4\n1.0\n0.000000 3.853916 3.853916\n3.853916 0.000000 3.853916\n3.853916 3.853916 0.000000\nTb Pt\n2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 Tb\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.625000 0.125000 0.625000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Pt"
],
"chemical_system": "Pt-Tb",
"density": 15.92900130757279,
"density_atomic": 0.05241004361475745,
"volume": 114.48187381989774,
"volume_molar": 11.490432643533051,
"formula_full": "Tb2 Pt4",
"formula_reduced": "TbPt2",
"formula_anonymous": "AB2",
"energy": -40.13583835,
"energy_per_atom": -6.689306391666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.13583835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.42e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.683000Z",
"spacegroup": 227
},
{
"id": "mp-2880",
"created_at": "2022-09-04T14:40:29.243203Z",
"structure_string": "Lu1 B2 Os3\n1.0\n2.759853 -4.780205 0.000000\n2.759853 4.780205 0.000000\n0.000000 0.000000 3.031391\nLu B Os\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Lu",
"B",
"Os"
],
"chemical_system": "B-Lu-Os",
"density": 15.929347425938243,
"density_atomic": 0.075014777503694,
"volume": 79.98424043455356,
"volume_molar": 8.027939241309419,
"formula_full": "Lu1 B2 Os3",
"formula_reduced": "LuB2Os3",
"formula_anonymous": "AB2C3",
"energy": -53.63737556,
"energy_per_atom": -8.939562593333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.63737556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.601000Z",
"spacegroup": 191
},
{
"id": "mp-1226653",
"created_at": "2022-09-04T14:40:16.943661Z",
"structure_string": "Ce1 Pt2 Au3\n1.0\n-2.740885 2.770302 3.847322\n2.740885 -2.770302 3.847322\n2.740885 2.770302 -3.847322\nCe Pt Au\n1 2 3\ndirect\n0.005944 0.005944 0.000000 Ce\n0.124909 0.374138 0.750771 Pt\n0.623367 0.374138 0.249229 Pt\n0.623379 0.872249 0.248870 Au\n0.623379 0.374509 0.751130 Au\n0.249022 0.749022 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Pt",
"Au"
],
"chemical_system": "Au-Ce-Pt",
"density": 15.932701457300183,
"density_atomic": 0.0513469667621972,
"volume": 116.85208257359685,
"volume_molar": 11.728328155955722,
"formula_full": "Ce1 Pt2 Au3",
"formula_reduced": "CePt2Au3",
"formula_anonymous": "AB2C3",
"energy": -31.398646070000005,
"energy_per_atom": -5.233107678333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.398646070000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8506621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.675000Z",
"spacegroup": 44
},
{
"id": "mp-864787",
"created_at": "2022-09-04T14:42:17.099051Z",
"structure_string": "Np1 Cd1 Pt2\n1.0\n0.000000 3.377705 3.377705\n3.377705 0.000000 3.377705\n3.377705 3.377705 0.000000\nNp Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Np",
"Cd",
"Pt"
],
"chemical_system": "Cd-Np-Pt",
"density": 15.934503013401688,
"density_atomic": 0.05189969975919316,
"volume": 77.07173680309137,
"volume_molar": 11.603421191147216,
"formula_full": "Np1 Cd1 Pt2",
"formula_reduced": "NpCdPt2",
"formula_anonymous": "ABC2",
"energy": -26.96309646,
"energy_per_atom": -6.740774115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.96309646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.696000Z",
"spacegroup": 225
},
{
"id": "mp-641314",
"created_at": "2022-09-04T14:40:28.155684Z",
"structure_string": "Dy4 Ge6 Pt18\n1.0\n3.916450 6.759849 0.000000\n-3.916450 6.759849 0.000000\n0.000000 4.561331 9.047827\nDy Ge Pt\n4 6 18\ndirect\n0.244954 0.415768 0.250756 Dy\n0.584232 0.755046 0.249244 Dy\n0.755046 0.584232 0.749244 Dy\n0.415768 0.244954 0.750756 Dy\n0.819023 0.359316 0.502278 Ge\n0.640684 0.180977 0.997722 Ge\n0.359316 0.819023 0.002278 Ge\n0.180977 0.640684 0.497722 Ge\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.197143 0.020989 0.429529 Pt\n0.306481 0.140461 0.078657 Pt\n0.640029 0.477691 0.077708 Pt\n0.522309 0.359971 0.422292 Pt\n0.859539 0.693519 0.421343 Pt\n0.915430 0.295745 0.256887 Pt\n0.704255 0.084570 0.243113 Pt\n0.802857 0.979011 0.570471 Pt\n0.477691 0.640029 0.577708 Pt\n0.866835 0.133165 0.750000 Pt\n0.979011 0.802857 0.070471 Pt\n0.295745 0.915430 0.756887 Pt\n0.359971 0.522309 0.922292 Pt\n0.133165 0.866835 0.250000 Pt\n0.693519 0.859539 0.921343 Pt\n0.084570 0.704255 0.743113 Pt\n0.020989 0.197143 0.929529 Pt\n0.140461 0.306481 0.578657 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Pt"
],
"chemical_system": "Dy-Ge-Pt",
"density": 15.93503382266051,
"density_atomic": 0.05844591557053681,
"volume": 479.07539349276766,
"volume_molar": 10.303783765235126,
"formula_full": "Dy4 Ge6 Pt18",
"formula_reduced": "Dy2(GePt3)3",
"formula_anonymous": "A2B3C9",
"energy": -177.20430789,
"energy_per_atom": -6.328725281785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.20430789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.616000Z",
"spacegroup": 15
},
{
"id": "mp-1187199",
"created_at": "2022-09-04T14:46:29.883680Z",
"structure_string": "Ta3 Bi1\n1.0\n4.278221 0.000000 0.000000\n0.000000 4.278221 0.000000\n0.000000 0.000000 4.278221\nTa Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Bi"
],
"chemical_system": "Bi-Ta",
"density": 15.94320610304801,
"density_atomic": 0.051082288537315695,
"volume": 78.3050273301282,
"volume_molar": 11.789097419941974,
"formula_full": "Ta3 Bi1",
"formula_reduced": "Ta3Bi",
"formula_anonymous": "AB3",
"energy": -38.08674524,
"energy_per_atom": -9.52168631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.08674524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.549000Z",
"spacegroup": 221
}
]
}