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=102",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=100",
"results": [
{
"id": "mp-20226",
"created_at": "2022-09-04T14:41:31.920803Z",
"structure_string": "U4 Ge4 Ir4\n1.0\n4.367500 0.000000 0.000000\n0.000000 6.675572 0.000000\n0.000000 0.000000 7.715411\nU Ge Ir\n4 4 4\ndirect\n0.250000 0.491819 0.203209 U\n0.750000 0.508181 0.796791 U\n0.250000 0.991819 0.296791 U\n0.750000 0.008181 0.703209 U\n0.250000 0.819361 0.915588 Ge\n0.750000 0.180639 0.084412 Ge\n0.250000 0.319361 0.584412 Ge\n0.750000 0.680639 0.415588 Ge\n0.750000 0.771287 0.085927 Ir\n0.250000 0.228713 0.914073 Ir\n0.750000 0.271287 0.414073 Ir\n0.250000 0.728713 0.585927 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-U",
"density": 14.849030266667116,
"density_atomic": 0.053345867522678676,
"volume": 224.94713381310177,
"volume_molar": 11.288860861508788,
"formula_full": "U4 Ge4 Ir4",
"formula_reduced": "UGeIr",
"formula_anonymous": "ABC",
"energy": -106.08401817,
"energy_per_atom": -8.8403348475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.08401817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.811992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.997000Z",
"spacegroup": 62
},
{
"id": "mp-1005727",
"created_at": "2022-09-04T14:40:05.460485Z",
"structure_string": "Tm1 Np3\n1.0\n4.616898 0.000000 0.000000\n0.000000 4.616898 0.000000\n0.000000 0.000000 4.616898\nTm Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Np\n0.500000 0.000000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Np"
],
"chemical_system": "Np-Tm",
"density": 14.847333381317231,
"density_atomic": 0.04064518940062042,
"volume": 98.41263035027075,
"volume_molar": 14.816367813279463,
"formula_full": "Tm1 Np3",
"formula_reduced": "TmNp3",
"formula_anonymous": "AB3",
"energy": -40.635347,
"energy_per_atom": -10.15883675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.635347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1595278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.340000Z",
"spacegroup": 221
},
{
"id": "mp-1187388",
"created_at": "2022-09-04T14:44:29.095069Z",
"structure_string": "Tb1 Tm1 Ir2\n1.0\n0.000000 3.415196 3.415196\n3.415196 0.000000 3.415196\n3.415196 3.415196 0.000000\nTb Tm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tm",
"Ir"
],
"chemical_system": "Ir-Tb-Tm",
"density": 14.846744002806256,
"density_atomic": 0.05020917625226486,
"volume": 79.6667123137589,
"volume_molar": 11.994103885997033,
"formula_full": "Tb1 Tm1 Ir2",
"formula_reduced": "TbTmIr2",
"formula_anonymous": "ABC2",
"energy": -30.23974958,
"energy_per_atom": -7.559937395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.23974958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.671000Z",
"spacegroup": 225
},
{
"id": "mp-1185969",
"created_at": "2022-09-04T14:47:05.976260Z",
"structure_string": "Mg1 Np3\n1.0\n-2.191898 2.191898 4.283176\n2.191898 -2.191898 4.283176\n2.191898 2.191898 -4.283176\nMg Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Np\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Np"
],
"chemical_system": "Mg-Np",
"density": 14.833718193235523,
"density_atomic": 0.048595202798679724,
"volume": 82.31265165352238,
"volume_molar": 12.392459364658963,
"formula_full": "Mg1 Np3",
"formula_reduced": "MgNp3",
"formula_anonymous": "AB3",
"energy": -37.77204326,
"energy_per_atom": -9.443010815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.77204326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.5838571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.771000Z",
"spacegroup": 139
},
{
"id": "mp-21316",
"created_at": "2022-09-04T14:46:14.604165Z",
"structure_string": "Ta4 Si4 Ir4\n1.0\n3.814279 0.000000 0.000000\n0.000000 6.431281 0.000000\n0.000000 0.000000 7.327521\nTa Si Ir\n4 4 4\ndirect\n0.750000 0.524226 0.827822 Ta\n0.250000 0.975774 0.327822 Ta\n0.750000 0.024226 0.672178 Ta\n0.250000 0.475774 0.172178 Ta\n0.250000 0.232601 0.876019 Si\n0.250000 0.732601 0.623981 Si\n0.750000 0.767399 0.123981 Si\n0.750000 0.267399 0.376019 Si\n0.250000 0.854614 0.935104 Ir\n0.250000 0.354614 0.564896 Ir\n0.750000 0.645386 0.435104 Ir\n0.750000 0.145386 0.064896 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Ta",
"density": 14.827144886728759,
"density_atomic": 0.06675967779094835,
"volume": 179.74921984460246,
"volume_molar": 9.020625861703179,
"formula_full": "Ta4 Si4 Ir4",
"formula_reduced": "TaSiIr",
"formula_anonymous": "ABC",
"energy": -114.3283356,
"energy_per_atom": -9.5273613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.3283356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.016000Z",
"spacegroup": 62
},
{
"id": "mp-1186815",
"created_at": "2022-09-04T14:47:21.070284Z",
"structure_string": "Pu3 I1\n1.0\n-2.242580 2.242580 4.781958\n2.242580 -2.242580 4.781958\n2.242580 2.242580 -4.781958\nPu I\n3 1\ndirect\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"I"
],
"chemical_system": "I-Pu",
"density": 14.826284256755992,
"density_atomic": 0.041581327792047415,
"volume": 96.19702429908972,
"volume_molar": 14.482800525556465,
"formula_full": "Pu3 I1",
"formula_reduced": "Pu3I",
"formula_anonymous": "AB3",
"energy": -44.08542858,
"energy_per_atom": -11.021357145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.70642858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.6274734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.070000Z",
"spacegroup": 139
},
{
"id": "mp-1178665",
"created_at": "2022-09-04T14:45:04.796895Z",
"structure_string": "Zn6 B6 Ir11\n1.0\n2.886379 0.000000 0.000000\n0.000000 8.647542 0.000000\n0.000000 0.000000 11.540150\nZn B Ir\n6 6 11\ndirect\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.648056 0.500000 Zn\n0.500000 0.351944 0.500000 Zn\n0.500000 0.000000 0.205782 Zn\n0.500000 0.000000 0.794218 Zn\n0.500000 0.805400 0.000000 B\n0.500000 0.194600 0.000000 B\n0.500000 0.683711 0.268782 B\n0.500000 0.316289 0.268782 B\n0.500000 0.316289 0.731218 B\n0.500000 0.683711 0.731218 B\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.317889 Ir\n0.000000 0.500000 0.682111 Ir\n0.000000 0.710808 0.123078 Ir\n0.000000 0.289192 0.123078 Ir\n0.000000 0.289192 0.876922 Ir\n0.000000 0.710808 0.876922 Ir\n0.000000 0.826009 0.354807 Ir\n0.000000 0.173991 0.354807 Ir\n0.000000 0.173991 0.645193 Ir\n0.000000 0.826009 0.645193 Ir\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zn",
"density": 14.825627853343018,
"density_atomic": 0.07984915893756293,
"volume": 288.0431091075683,
"volume_molar": 7.541896295625279,
"formula_full": "Zn6 B6 Ir11",
"formula_reduced": "Zn6B6Ir11",
"formula_anonymous": "A6B6C11",
"energy": -151.11020406,
"energy_per_atom": -6.570008872173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.11020406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.717000Z",
"spacegroup": 47
},
{
"id": "mp-22435",
"created_at": "2022-09-04T14:40:16.061371Z",
"structure_string": "Ce1 B1 Pt3\n1.0\n3.977593 0.000000 0.000000\n0.000000 3.977593 0.000000\n0.000000 0.000000 5.212601\nCe B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.979304 Ce\n0.500000 0.500000 0.711928 B\n0.000000 0.500000 0.514646 Pt\n0.500000 0.500000 0.121375 Pt\n0.500000 0.000000 0.514646 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"B",
"Pt"
],
"chemical_system": "B-Ce-Pt",
"density": 14.823042502431157,
"density_atomic": 0.060628222532802235,
"volume": 82.46984310474886,
"volume_molar": 9.93290007263826,
"formula_full": "Ce1 B1 Pt3",
"formula_reduced": "CeBPt3",
"formula_anonymous": "ABC3",
"energy": -35.20589156,
"energy_per_atom": -7.0411783119999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.20589156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6816705,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.329000Z",
"spacegroup": 99
},
{
"id": "mp-1193183",
"created_at": "2022-09-04T14:44:15.669908Z",
"structure_string": "Hf18 Re8 Ni2\n1.0\n8.599086 0.000000 0.000000\n-4.299543 7.447027 0.000000\n0.000000 0.000000 8.432780\nHf Re Ni\n18 8 2\ndirect\n0.198266 0.801734 0.445051 Hf\n0.198266 0.396531 0.445051 Hf\n0.603469 0.801734 0.445051 Hf\n0.801734 0.198266 0.554949 Hf\n0.801734 0.603469 0.554949 Hf\n0.396531 0.198266 0.554949 Hf\n0.801734 0.198266 0.945051 Hf\n0.801734 0.603469 0.945051 Hf\n0.396531 0.198266 0.945051 Hf\n0.198266 0.801734 0.054949 Hf\n0.198266 0.396531 0.054949 Hf\n0.603469 0.801734 0.054949 Hf\n0.540310 0.459690 0.250000 Hf\n0.540310 0.080620 0.250000 Hf\n0.919380 0.459690 0.250000 Hf\n0.459690 0.540310 0.750000 Hf\n0.459690 0.919380 0.750000 Hf\n0.080620 0.540310 0.750000 Hf\n0.889366 0.110634 0.250000 Re\n0.889366 0.778731 0.250000 Re\n0.221269 0.110634 0.250000 Re\n0.110634 0.889366 0.750000 Re\n0.110634 0.221269 0.750000 Re\n0.778731 0.889366 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Ni"
],
"chemical_system": "Hf-Ni-Re",
"density": 14.821009386929115,
"density_atomic": 0.0518503915380736,
"volume": 540.0152085532407,
"volume_molar": 11.614455708744183,
"formula_full": "Hf18 Re8 Ni2",
"formula_reduced": "Hf9Re4Ni",
"formula_anonymous": "AB4C9",
"energy": -300.26941108,
"energy_per_atom": -10.723907538571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -300.26941108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0356986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.854000Z",
"spacegroup": 194
},
{
"id": "mp-19871",
"created_at": "2022-09-04T14:45:58.904501Z",
"structure_string": "Pb2 Au4\n1.0\n0.000000 4.068628 4.068628\n4.068628 0.000000 4.068628\n4.068628 4.068628 0.000000\nPb Au\n2 4\ndirect\n0.750000 0.750000 0.750000 Pb\n0.500000 0.500000 0.500000 Pb\n0.125000 0.125000 0.625000 Au\n0.125000 0.625000 0.125000 Au\n0.125000 0.125000 0.125000 Au\n0.625000 0.125000 0.125000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 14.820942292924501,
"density_atomic": 0.04454277849909818,
"volume": 134.70196970585204,
"volume_molar": 13.519903703631613,
"formula_full": "Pb2 Au4",
"formula_reduced": "PbAu2",
"formula_anonymous": "AB2",
"energy": -20.94947419,
"energy_per_atom": -3.491579031666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.94947419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.61e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.903000Z",
"spacegroup": 227
},
{
"id": "mp-2260",
"created_at": "2022-09-04T14:44:15.749023Z",
"structure_string": "Fe1 Pt1\n1.0\n2.728143 0.000000 0.000000\n0.000000 2.728143 0.000000\n0.000000 0.000000 3.778984\nFe Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Pt"
],
"chemical_system": "Fe-Pt",
"density": 14.814624174511733,
"density_atomic": 0.07110836301602406,
"volume": 28.12608693508112,
"volume_molar": 8.468962727552775,
"formula_full": "Fe1 Pt1",
"formula_reduced": "FePt",
"formula_anonymous": "AB",
"energy": -15.00514631,
"energy_per_atom": -7.502573155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.00514631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2802089,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.969000Z",
"spacegroup": 123
},
{
"id": "mp-1217376",
"created_at": "2022-09-04T14:47:36.200175Z",
"structure_string": "Tc2 W4 C2\n1.0\n1.494090 -2.587840 0.000000\n1.494090 2.587840 0.000000\n0.000000 0.000000 13.850043\nTc W C\n2 4 2\ndirect\n0.666667 0.333333 0.411550 Tc\n0.666667 0.333333 0.091829 Tc\n0.333333 0.666667 0.916989 W\n0.333333 0.666667 0.570969 W\n0.333333 0.666667 0.258594 W\n0.666667 0.333333 0.748857 W\n0.000000 0.000000 0.007566 C\n0.000000 0.000000 0.660312 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tc",
"W",
"C"
],
"chemical_system": "C-Tc-W",
"density": 14.812575654834184,
"density_atomic": 0.07469554307202333,
"volume": 107.10143699318442,
"volume_molar": 8.062249114640347,
"formula_full": "Tc2 W4 C2",
"formula_reduced": "TcW2C",
"formula_anonymous": "ABC2",
"energy": -89.66743602,
"energy_per_atom": -11.2084295025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.66743602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.589000Z",
"spacegroup": 156
}
]
}