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=energy_per_atom&page=8",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=6",
"results": [
{
"id": "mp-567490",
"created_at": "2022-09-04T14:42:24.186614Z",
"structure_string": "Hf5 Re24\n1.0\n-4.892353 4.892353 4.892353\n4.892353 -4.892353 4.892353\n4.892353 4.892353 -4.892353\nHf Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Hf\n0.629511 0.000000 0.000000 Hf\n0.000000 0.629511 0.000000 Hf\n0.000000 0.000000 0.629511 Hf\n0.370489 0.370489 0.370489 Hf\n0.395487 0.677337 0.000000 Re\n0.718151 0.322663 0.322663 Re\n0.395487 0.000000 0.677337 Re\n0.677337 0.395487 0.000000 Re\n0.000000 0.395487 0.677337 Re\n0.322663 0.718151 0.322663 Re\n0.322663 0.322663 0.718151 Re\n0.000000 0.677337 0.395487 Re\n0.677337 0.000000 0.395487 Re\n0.604513 0.604513 0.281849 Re\n0.281849 0.604513 0.604513 Re\n0.604513 0.281849 0.604513 Re\n0.375870 0.194003 0.000000 Re\n0.181867 0.805997 0.805997 Re\n0.375870 0.000000 0.194003 Re\n0.194003 0.375870 0.000000 Re\n0.000000 0.375870 0.194003 Re\n0.805997 0.181867 0.805997 Re\n0.805997 0.805997 0.181867 Re\n0.000000 0.194003 0.375870 Re\n0.194003 0.000000 0.375870 Re\n0.624130 0.624130 0.818133 Re\n0.818133 0.624130 0.624130 Re\n0.624130 0.818133 0.624130 Re\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Hf",
"Re"
],
"chemical_system": "Hf-Re",
"density": 19.007080682059826,
"density_atomic": 0.06191339949551253,
"volume": 468.39618299592667,
"volume_molar": 9.726716363614445,
"formula_full": "Hf5 Re24",
"formula_reduced": "Hf5Re24",
"formula_anonymous": "A5B24",
"energy": -356.02834639,
"energy_per_atom": -12.276839530689656,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -356.02834639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.040000Z",
"spacegroup": 217
},
{
"id": "mp-864650",
"created_at": "2022-09-04T14:44:09.555842Z",
"structure_string": "Ta2 Os1 W1\n1.0\n0.000000 3.214603 3.214603\n3.214603 0.000000 3.214603\n3.214603 3.214603 0.000000\nTa Os W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Os",
"W"
],
"chemical_system": "Os-Ta-W",
"density": 18.394783237817837,
"density_atomic": 0.060207134606973765,
"volume": 66.43730890220246,
"volume_molar": 10.002370648116605,
"formula_full": "Ta2 Os1 W1",
"formula_reduced": "Ta2OsW",
"formula_anonymous": "ABC2",
"energy": -49.0952364,
"energy_per_atom": -12.2738091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.0952364,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.677000Z",
"spacegroup": 225
},
{
"id": "mp-1187203",
"created_at": "2022-09-04T14:46:01.215062Z",
"structure_string": "Ta3 Re1\n1.0\n0.000000 3.254089 3.254089\n3.254089 0.000000 3.254089\n3.254089 3.254089 0.000000\nTa Re\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Re"
],
"chemical_system": "Re-Ta",
"density": 17.566632545538077,
"density_atomic": 0.05804191264682832,
"volume": 68.91571655019501,
"volume_molar": 10.375503641038401,
"formula_full": "Ta3 Re1",
"formula_reduced": "Ta3Re",
"formula_anonymous": "AB3",
"energy": -48.89036476,
"energy_per_atom": -12.22259119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.89036476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0107227,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.300000Z",
"spacegroup": 225
},
{
"id": "mp-1209855",
"created_at": "2022-09-04T14:43:12.217767Z",
"structure_string": "Pu8 Mn2\n1.0\n-4.558961 -4.558961 0.000000\n-4.558961 0.000000 -4.558961\n0.000000 -4.558961 -4.558961\nPu Mn\n8 2\ndirect\n0.597669 0.597669 0.597669 Pu\n0.206993 0.597669 0.597669 Pu\n0.597669 0.206993 0.597669 Pu\n0.543007 0.152331 0.152331 Pu\n0.152331 0.152331 0.152331 Pu\n0.597669 0.597669 0.206993 Pu\n0.152331 0.543007 0.152331 Pu\n0.152331 0.152331 0.543007 Pu\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pu",
"Mn"
],
"chemical_system": "Mn-Pu",
"density": 18.06691632798572,
"density_atomic": 0.05276821133508163,
"volume": 189.5080342310513,
"volume_molar": 11.412440572902895,
"formula_full": "Pu8 Mn2",
"formula_reduced": "Pu4Mn",
"formula_anonymous": "AB4",
"energy": -122.04200081,
"energy_per_atom": -12.204200081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.04200081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5452655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.421000Z",
"spacegroup": 227
},
{
"id": "mp-867264",
"created_at": "2022-09-04T14:44:01.345578Z",
"structure_string": "Re6 Os2\n1.0\n2.782471 -4.819380 0.000000\n2.782471 4.819380 0.000000\n0.000000 0.000000 4.438103\nRe Os\n6 2\ndirect\n0.834435 0.165565 0.750000 Re\n0.331129 0.165565 0.750000 Re\n0.834435 0.668871 0.750000 Re\n0.165565 0.834435 0.250000 Re\n0.668871 0.834435 0.250000 Re\n0.165565 0.331129 0.250000 Re\n0.666667 0.333333 0.250000 Os\n0.333333 0.666667 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Os"
],
"chemical_system": "Os-Re",
"density": 20.894179274689,
"density_atomic": 0.06721106799634921,
"volume": 119.02801485663859,
"volume_molar": 8.960043248125611,
"formula_full": "Re6 Os2",
"formula_reduced": "Re3Os",
"formula_anonymous": "AB3",
"energy": -97.59450991,
"energy_per_atom": -12.19931373875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.59450991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.907000Z",
"spacegroup": 194
},
{
"id": "mp-1187213",
"created_at": "2022-09-04T14:39:28.876187Z",
"structure_string": "Ta2 Re1 Os1\n1.0\n0.000000 3.197303 3.197303\n3.197303 0.000000 3.197303\n3.197303 3.197303 0.000000\nTa Re Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Re",
"Os"
],
"chemical_system": "Os-Re-Ta",
"density": 18.755120331388564,
"density_atomic": 0.06118974032542806,
"volume": 65.37043593789785,
"volume_molar": 9.841749169014587,
"formula_full": "Ta2 Re1 Os1",
"formula_reduced": "Ta2ReOs",
"formula_anonymous": "ABC2",
"energy": -48.79083786,
"energy_per_atom": -12.197709465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.79083786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.869000Z",
"spacegroup": 225
},
{
"id": "mp-12662",
"created_at": "2022-09-04T14:45:29.484579Z",
"structure_string": "Re24 Mo5\n1.0\n-4.826626 4.826626 4.826626\n4.826626 -4.826626 4.826626\n4.826626 4.826626 -4.826626\nRe Mo\n24 5\ndirect\n0.315426 0.315426 0.716771 Re\n0.401345 0.684574 0.000000 Re\n0.684574 0.401345 0.000000 Re\n0.598655 0.283229 0.598655 Re\n0.401345 0.000000 0.684574 Re\n0.000000 0.401345 0.684574 Re\n0.283229 0.598655 0.598655 Re\n0.716771 0.315426 0.315426 Re\n0.315426 0.716771 0.315426 Re\n0.684574 0.000000 0.401345 Re\n0.000000 0.684574 0.401345 Re\n0.598655 0.598655 0.283229 Re\n0.806504 0.806504 0.181977 Re\n0.375474 0.193496 0.000000 Re\n0.193496 0.375474 0.000000 Re\n0.624526 0.818023 0.624526 Re\n0.375474 0.000000 0.193496 Re\n0.000000 0.375474 0.193496 Re\n0.818023 0.624526 0.624526 Re\n0.181977 0.806504 0.806504 Re\n0.806504 0.181977 0.806504 Re\n0.193496 0.000000 0.375474 Re\n0.000000 0.193496 0.375474 Re\n0.624526 0.624526 0.818023 Re\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.641448 Mo\n0.641448 0.000000 0.000000 Mo\n0.000000 0.641448 0.000000 Mo\n0.358552 0.358552 0.358552 Mo\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Re",
"Mo"
],
"chemical_system": "Mo-Re",
"density": 18.27033374079881,
"density_atomic": 0.06447733259053604,
"volume": 449.7704671526162,
"volume_molar": 9.33993469960004,
"formula_full": "Re24 Mo5",
"formula_reduced": "Re24Mo5",
"formula_anonymous": "A5B24",
"energy": -353.29788149,
"energy_per_atom": -12.18268556862069,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.29788149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001944,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.717000Z",
"spacegroup": 217
},
{
"id": "mp-864979",
"created_at": "2022-09-04T14:45:00.449856Z",
"structure_string": "Gd8 Re4 C8\n1.0\n5.193500 0.000000 0.000000\n0.000000 6.606528 0.000000\n0.000000 0.000000 9.950225\nGd Re C\n8 4 8\ndirect\n0.250000 0.470513 0.284229 Gd\n0.750000 0.029487 0.784229 Gd\n0.250000 0.970513 0.215771 Gd\n0.750000 0.529487 0.715771 Gd\n0.250000 0.816427 0.553597 Gd\n0.750000 0.683573 0.053597 Gd\n0.250000 0.316427 0.946403 Gd\n0.750000 0.183573 0.446403 Gd\n0.250000 0.276062 0.636337 Re\n0.750000 0.223938 0.136337 Re\n0.250000 0.776062 0.863663 Re\n0.750000 0.723938 0.363663 Re\n0.250000 0.041507 0.758703 C\n0.750000 0.458493 0.258703 C\n0.250000 0.541507 0.741297 C\n0.750000 0.958493 0.241297 C\n0.250000 0.679512 0.047025 C\n0.750000 0.820488 0.547025 C\n0.250000 0.179512 0.452975 C\n0.750000 0.320488 0.952975 C\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Gd",
"Re",
"C"
],
"chemical_system": "C-Gd-Re",
"density": 10.208862201040839,
"density_atomic": 0.0585819303808954,
"volume": 341.4022014973128,
"volume_molar": 10.2798605659535,
"formula_full": "Gd8 Re4 C8",
"formula_reduced": "Gd2ReC2",
"formula_anonymous": "AB2C2",
"energy": -243.56704095,
"energy_per_atom": -12.1783520475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.56704095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.5993827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.561000Z",
"spacegroup": 62
},
{
"id": "mp-1184530",
"created_at": "2022-09-04T14:41:22.473110Z",
"structure_string": "Gd6 Si2\n1.0\n6.731834 0.000000 0.000000\n-3.365919 5.829939 0.000000\n0.000000 0.000000 5.199740\nGd Si\n6 2\ndirect\n0.177185 0.354370 0.250000 Gd\n0.645632 0.822816 0.250000 Gd\n0.177184 0.822816 0.250000 Gd\n0.822816 0.645631 0.750001 Gd\n0.354368 0.177183 0.750001 Gd\n0.822816 0.177183 0.750001 Gd\n0.333334 0.666667 0.750001 Si\n0.666667 0.333334 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Si"
],
"chemical_system": "Gd-Si",
"density": 8.134430517439126,
"density_atomic": 0.03920224601524846,
"volume": 204.06994019904494,
"volume_molar": 15.361723809542887,
"formula_full": "Gd6 Si2",
"formula_reduced": "Gd3Si",
"formula_anonymous": "AB3",
"energy": -97.41282098,
"energy_per_atom": -12.1766026225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.55482098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.900244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.177000Z",
"spacegroup": 194
},
{
"id": "mp-1187206",
"created_at": "2022-09-04T14:43:58.745346Z",
"structure_string": "Ta3 W1\n1.0\n0.000000 3.278822 3.278822\n3.278822 0.000000 3.278822\n3.278822 3.278822 0.000000\nTa W\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"W"
],
"chemical_system": "Ta-W",
"density": 17.1163423141024,
"density_atomic": 0.056738320266844035,
"volume": 70.49909093515173,
"volume_molar": 10.613886226588095,
"formula_full": "Ta3 W1",
"formula_reduced": "Ta3W",
"formula_anonymous": "AB3",
"energy": -48.70267833,
"energy_per_atom": -12.1756695825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.70267833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.419000Z",
"spacegroup": 225
},
{
"id": "mp-637224",
"created_at": "2022-09-04T14:45:21.294424Z",
"structure_string": "Pu16 O24\n1.0\n8.893238 0.005399 -3.134572\n-4.443452 7.709852 -3.138764\n0.009524 0.011402 9.430795\nPu O\n16 24\ndirect\n0.225249 0.750249 0.974663 Pu\n0.974724 0.225302 0.750137 Pu\n0.774729 0.249751 0.025303 Pu\n0.249865 0.025320 0.774805 Pu\n0.723982 0.749716 0.474202 Pu\n0.750160 0.974727 0.225225 Pu\n0.250256 0.525821 0.275947 Pu\n0.749736 0.474156 0.724059 Pu\n0.999978 0.499994 0.499977 Pu\n0.276004 0.250298 0.525798 Pu\n0.525782 0.276000 0.250232 Pu\n0.474218 0.724006 0.749780 Pu\n0.025317 0.774737 0.249848 Pu\n0.999966 0.000001 0.999969 Pu\n0.500023 0.000007 0.500012 Pu\n0.500013 0.499999 0.000021 Pu\n0.259520 0.991394 0.526436 O\n0.759401 0.232564 0.267986 O\n0.232511 0.267948 0.759299 O\n0.508162 0.768567 0.535251 O\n0.768461 0.535303 0.508292 O\n0.264318 0.027177 0.035369 O\n0.035448 0.264252 0.027171 O\n0.473607 0.740477 0.008679 O\n0.732031 0.240667 0.767446 O\n0.464750 0.491803 0.231492 O\n0.027225 0.035258 0.264248 O\n0.767512 0.732032 0.240691 O\n0.991274 0.526422 0.259443 O\n0.735665 0.972819 0.964666 O\n0.231527 0.464711 0.491749 O\n0.535243 0.508184 0.768487 O\n0.008721 0.473571 0.740524 O\n0.972784 0.964692 0.735727 O\n0.740481 0.008605 0.473573 O\n0.964504 0.735675 0.972776 O\n0.267953 0.759319 0.232520 O\n0.491836 0.231444 0.464779 O\n0.526416 0.259549 0.991358 O\n0.240648 0.767485 0.732062 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Pu",
"O"
],
"chemical_system": "O-Pu",
"density": 10.995671338147199,
"density_atomic": 0.061770245284315635,
"volume": 647.5609707536095,
"volume_molar": 9.749258291401198,
"formula_full": "Pu16 O24",
"formula_reduced": "Pu2O3",
"formula_anonymous": "A2B3",
"energy": -486.76010472,
"energy_per_atom": -12.169002618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -470.27210472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 80.0000191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.869000Z",
"spacegroup": 206
},
{
"id": "mp-1216274",
"created_at": "2022-09-04T14:40:30.967985Z",
"structure_string": "W4\n1.0\n2.669141 0.000000 0.000000\n0.000000 2.669141 0.000000\n1.334570 1.334570 9.663752\nW\n4\ndirect\n0.435305 0.685305 0.129390 W\n0.185305 0.935305 0.629390 W\n0.564695 0.314695 0.870610 W\n0.814695 0.064695 0.370610 W\n",
"nsites": 4,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 17.736188308705483,
"density_atomic": 0.05809933778165902,
"volume": 68.84760055324989,
"volume_molar": 10.365248537998118,
"formula_full": "W4",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -48.6160018,
"energy_per_atom": -12.15400045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.6160018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.366000Z",
"spacegroup": 141
}
]
}