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=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12121",
"results": [
{
"id": "mp-1196849",
"created_at": "2022-09-04T14:42:14.403418Z",
"structure_string": "Fe6 W20 C6\n1.0\n3.956731 -6.853259 0.000000\n3.956731 6.853259 0.000000\n0.000000 0.000000 8.059961\nFe W C\n6 20 6\ndirect\n0.453760 0.546240 0.250000 Fe\n0.453760 0.907520 0.250000 Fe\n0.092480 0.546240 0.250000 Fe\n0.546240 0.453760 0.750000 Fe\n0.546240 0.092480 0.750000 Fe\n0.907520 0.453760 0.750000 Fe\n0.120457 0.879543 0.250000 W\n0.120457 0.240913 0.250000 W\n0.759087 0.879543 0.250000 W\n0.879543 0.120457 0.750000 W\n0.879543 0.759087 0.750000 W\n0.240913 0.120457 0.750000 W\n0.209482 0.790518 0.933555 W\n0.209482 0.418964 0.933555 W\n0.581036 0.790518 0.933555 W\n0.790518 0.209482 0.066445 W\n0.790518 0.581036 0.066445 W\n0.418964 0.209482 0.066445 W\n0.790518 0.209482 0.433555 W\n0.790518 0.581036 0.433555 W\n0.418964 0.209482 0.433555 W\n0.209482 0.790518 0.566445 W\n0.209482 0.418964 0.566445 W\n0.581036 0.790518 0.566445 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"W",
"C"
],
"chemical_system": "C-Fe-W",
"density": 15.514265769291969,
"density_atomic": 0.07320712838753418,
"volume": 437.11590257444124,
"volume_molar": 8.226167167930413,
"formula_full": "Fe6 W20 C6",
"formula_reduced": "Fe3W10C3",
"formula_anonymous": "A3B3C10",
"energy": -358.98229762,
"energy_per_atom": -11.218196800625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -358.98229762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9179888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.747000Z",
"spacegroup": 194
},
{
"id": "mp-1217988",
"created_at": "2022-09-04T14:47:08.384102Z",
"structure_string": "Ta3 Ru1\n1.0\n1.669090 -2.342311 0.000000\n1.669090 2.342311 0.000000\n0.000000 0.000000 8.814198\nTa Ru\n3 1\ndirect\n0.500000 0.500000 0.763884 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.236116 Ta\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 15.514565288761728,
"density_atomic": 0.05803939548876206,
"volume": 68.91870541233504,
"volume_molar": 10.375953624751386,
"formula_full": "Ta3 Ru1",
"formula_reduced": "Ta3Ru",
"formula_anonymous": "AB3",
"energy": -45.26541923,
"energy_per_atom": -11.3163548075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.26541923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.090839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.105000Z",
"spacegroup": 65
},
{
"id": "mp-631320",
"created_at": "2022-09-04T14:43:40.625230Z",
"structure_string": "Tc1 Ir1 Os1\n1.0\n0.000000 2.951238 2.951238\n2.951238 0.000000 2.951238\n2.951238 2.951238 0.000000\nTc Ir Os\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tc",
"Ir",
"Os"
],
"chemical_system": "Ir-Os-Tc",
"density": 15.518576629906402,
"density_atomic": 0.058355064903582825,
"volume": 51.40941930159363,
"volume_molar": 10.319825314135258,
"formula_full": "Tc1 Ir1 Os1",
"formula_reduced": "TcIrOs",
"formula_anonymous": "ABC",
"energy": -28.79206787,
"energy_per_atom": -9.597355956666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.79206787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.927000Z",
"spacegroup": 216
},
{
"id": "mp-1009493",
"created_at": "2022-09-04T14:42:40.861599Z",
"structure_string": "Np1 N1\n1.0\n2.994717 0.000000 0.000000\n0.000000 2.994717 0.000000\n0.000000 0.000000 2.994717\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 15.519118441870344,
"density_atomic": 0.07446678973935937,
"volume": 26.857610043352,
"volume_molar": 8.087015407912773,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy": -22.60468652,
"energy_per_atom": -11.30234326,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.24368652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.795192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.828000Z",
"spacegroup": 221
},
{
"id": "mp-1186367",
"created_at": "2022-09-04T14:45:29.343663Z",
"structure_string": "Pa2\n1.0\n1.586525 -2.747942 0.000000\n1.586525 2.747942 0.000000\n0.000000 0.000000 5.667295\nPa\n2\ndirect\n0.333333 0.666667 0.250000 Pa\n0.666667 0.333333 0.750000 Pa\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pa"
],
"chemical_system": "Pa",
"density": 15.527381632843056,
"density_atomic": 0.040473400867230634,
"volume": 49.41517038710982,
"volume_molar": 14.879255587527952,
"formula_full": "Pa2",
"formula_reduced": "Pa",
"formula_anonymous": "A",
"energy": -18.97294543,
"energy_per_atom": -9.486472715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.97294543,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.650000Z",
"spacegroup": 194
},
{
"id": "mp-1024071",
"created_at": "2022-09-04T14:41:57.524805Z",
"structure_string": "Si3 Pt6\n1.0\n3.273470 -5.669816 0.000000\n3.273470 5.669816 0.000000\n0.000000 0.000000 3.614444\nSi Pt\n3 6\ndirect\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.619419 0.000000 0.500000 Pt\n0.380581 0.380581 0.500000 Pt\n0.000000 0.619419 0.500000 Pt\n0.000000 0.277474 0.000000 Pt\n0.722526 0.722526 0.000000 Pt\n0.277474 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 15.529630037788575,
"density_atomic": 0.06708009716877875,
"volume": 134.16796307487897,
"volume_molar": 8.97753732354893,
"formula_full": "Si3 Pt6",
"formula_reduced": "SiPt2",
"formula_anonymous": "AB2",
"energy": -58.20265168,
"energy_per_atom": -6.466961297777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.20265168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.911000Z",
"spacegroup": 189
},
{
"id": "mp-1078014",
"created_at": "2022-09-04T14:47:23.822606Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.963500 0.000000 0.000000\n0.000000 3.963500 0.000000\n0.000000 0.000000 7.658862\nSi Sb Pt\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.750710 Pt\n0.000000 0.500000 0.750710 Pt\n0.500000 0.000000 0.249290 Pt\n0.000000 0.500000 0.249290 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 15.530381776584328,
"density_atomic": 0.05818031531511029,
"volume": 120.3156078148995,
"volume_molar": 10.35082179837544,
"formula_full": "Si1 Sb1 Pt5",
"formula_reduced": "SiSbPt5",
"formula_anonymous": "ABC5",
"energy": -41.93724297,
"energy_per_atom": -5.99103471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.74524297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0145265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.625000Z",
"spacegroup": 123
},
{
"id": "mp-1104316",
"created_at": "2022-09-04T14:45:36.516797Z",
"structure_string": "Ce2 Sb2 Pt10\n1.0\n10.594608 -2.699553 0.000000\n10.594608 2.699553 0.000000\n9.906750 0.000000 4.624890\nCe Sb Pt\n2 2 10\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.894529 0.894529 0.894529 Sb\n0.105471 0.105471 0.105471 Sb\n0.075574 0.621174 0.523286 Pt\n0.523286 0.075574 0.621174 Pt\n0.621174 0.523286 0.075574 Pt\n0.924426 0.378826 0.476714 Pt\n0.476714 0.924426 0.378826 Pt\n0.378826 0.476714 0.924426 Pt\n0.813633 0.813633 0.813633 Pt\n0.186367 0.186367 0.186367 Pt\n0.666025 0.666025 0.666025 Pt\n0.333975 0.333975 0.333975 Pt\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Pt"
],
"chemical_system": "Ce-Pt-Sb",
"density": 15.532613929486555,
"density_atomic": 0.05292000559324609,
"volume": 264.5502365892937,
"volume_molar": 11.379705448800209,
"formula_full": "Ce2 Sb2 Pt10",
"formula_reduced": "CeSbPt5",
"formula_anonymous": "ABC5",
"energy": -90.70970363,
"energy_per_atom": -6.479264545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.70970363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0272188,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.295000Z",
"spacegroup": 148
},
{
"id": "mp-1185695",
"created_at": "2022-09-04T14:39:24.052571Z",
"structure_string": "Mg1 Au5\n1.0\n5.040148 -2.541149 0.000000\n5.040148 2.541149 0.000000\n3.758948 0.000000 4.210801\nMg Au\n1 5\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.666151 0.333849 Au\n0.666151 0.333849 0.000000 Au\n0.333849 0.000000 0.666151 Au\n0.832779 0.832779 0.832779 Au\n0.167221 0.167221 0.167221 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Au"
],
"chemical_system": "Au-Mg",
"density": 15.535722597580623,
"density_atomic": 0.055626677041296646,
"volume": 107.86191660425203,
"volume_molar": 10.825994073903114,
"formula_full": "Mg1 Au5",
"formula_reduced": "MgAu5",
"formula_anonymous": "AB5",
"energy": -19.48807383,
"energy_per_atom": -3.248012305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.48807383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.651000Z",
"spacegroup": 155
},
{
"id": "mp-13871",
"created_at": "2022-09-04T14:47:38.359392Z",
"structure_string": "P4 Pt10\n1.0\n2.724624 5.481664 0.000000\n-2.724624 5.481664 0.000000\n0.000000 1.239522 7.423768\nP Pt\n4 10\ndirect\n0.753290 0.564581 0.224436 P\n0.435419 0.246710 0.275564 P\n0.246710 0.435419 0.775564 P\n0.564581 0.753290 0.724436 P\n0.607388 0.155170 0.967409 Pt\n0.844830 0.392612 0.532591 Pt\n0.629583 0.081441 0.594822 Pt\n0.918559 0.370417 0.905178 Pt\n0.370417 0.918559 0.405178 Pt\n0.081441 0.629583 0.094822 Pt\n0.155170 0.607388 0.467409 Pt\n0.392612 0.844830 0.032591 Pt\n0.111541 0.888459 0.750000 Pt\n0.888459 0.111541 0.250000 Pt\n",
"nsites": 14,
"nelements": 2,
"elements": [
"P",
"Pt"
],
"chemical_system": "P-Pt",
"density": 15.535969655398434,
"density_atomic": 0.06313274300860149,
"volume": 221.75497741469238,
"volume_molar": 9.538854915870703,
"formula_full": "P4 Pt10",
"formula_reduced": "P2Pt5",
"formula_anonymous": "A2B5",
"energy": -87.64293724,
"energy_per_atom": -6.260209802857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.64293724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.472000Z",
"spacegroup": 15
},
{
"id": "mp-1208177",
"created_at": "2022-09-04T14:46:24.700211Z",
"structure_string": "U8 Co2\n1.0\n-4.762911 -4.762911 0.000000\n-4.762911 0.000000 -4.762911\n0.000000 -4.762911 -4.762911\nU Co\n8 2\ndirect\n0.600794 0.600794 0.600794 U\n0.197617 0.600794 0.600794 U\n0.600794 0.197617 0.600794 U\n0.552383 0.149206 0.149206 U\n0.149206 0.149206 0.149206 U\n0.600794 0.600794 0.197617 U\n0.149206 0.552383 0.149206 U\n0.149206 0.149206 0.552383 U\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Co\n",
"nsites": 10,
"nelements": 2,
"elements": [
"U",
"Co"
],
"chemical_system": "Co-U",
"density": 15.538311784404788,
"density_atomic": 0.04627565827262418,
"volume": 216.09633170611892,
"volume_molar": 13.013625272538992,
"formula_full": "U8 Co2",
"formula_reduced": "U4Co",
"formula_anonymous": "AB4",
"energy": -97.57273364,
"energy_per_atom": -9.757273364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.57273364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7061986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.045000Z",
"spacegroup": 227
},
{
"id": "mp-571358",
"created_at": "2022-09-04T14:43:59.740300Z",
"structure_string": "Yb6 Pt8\n1.0\n4.208330 -6.512901 0.000000\n4.208330 6.512901 0.000000\n-5.871173 0.000000 5.065297\nYb Pt\n6 8\ndirect\n0.600820 0.721926 0.978945 Yb\n0.278074 0.021055 0.399180 Yb\n0.721926 0.978945 0.600820 Yb\n0.399180 0.278074 0.021055 Yb\n0.978945 0.600820 0.721926 Yb\n0.021055 0.399180 0.278074 Yb\n0.555068 0.064281 0.228289 Pt\n0.935719 0.771711 0.444932 Pt\n0.064281 0.228289 0.555068 Pt\n0.228289 0.555068 0.064281 Pt\n0.771711 0.444932 0.935719 Pt\n0.444932 0.935719 0.771711 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Pt"
],
"chemical_system": "Pt-Yb",
"density": 15.542522203298697,
"density_atomic": 0.0504206987802782,
"volume": 277.66374403117214,
"volume_molar": 11.943786789316631,
"formula_full": "Yb6 Pt8",
"formula_reduced": "Yb3Pt4",
"formula_anonymous": "A3B4",
"energy": -70.7097167,
"energy_per_atom": -5.05069405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.7097167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.810000Z",
"spacegroup": 148
}
]
}