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=12183",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12181",
"results": [
{
"id": "mp-768237",
"created_at": "2022-09-04T14:46:55.591287Z",
"structure_string": "Gd8 Hf4 O20\n1.0\n3.791207 0.000000 0.000000\n0.000000 10.871424 0.000000\n0.000000 0.000000 11.706877\nGd Hf O\n8 4 20\ndirect\n0.750000 0.117643 0.278011 Gd\n0.750000 0.130234 0.939258 Gd\n0.250000 0.369766 0.439258 Gd\n0.250000 0.382357 0.778011 Gd\n0.750000 0.617643 0.221989 Gd\n0.750000 0.630234 0.560742 Gd\n0.250000 0.869766 0.060742 Gd\n0.250000 0.882357 0.721989 Gd\n0.750000 0.174566 0.616544 Hf\n0.250000 0.325434 0.116544 Hf\n0.750000 0.674566 0.883456 Hf\n0.250000 0.825434 0.383456 Hf\n0.250000 0.005068 0.895892 O\n0.750000 0.001333 0.657234 O\n0.750000 0.229363 0.450725 O\n0.250000 0.245768 0.613569 O\n0.250000 0.244609 0.271573 O\n0.750000 0.255391 0.771573 O\n0.750000 0.254232 0.113569 O\n0.250000 0.270637 0.950725 O\n0.250000 0.498667 0.157234 O\n0.750000 0.494932 0.395892 O\n0.250000 0.505068 0.604108 O\n0.750000 0.501333 0.842766 O\n0.750000 0.729363 0.049275 O\n0.250000 0.745768 0.886431 O\n0.250000 0.744609 0.228427 O\n0.750000 0.755391 0.728427 O\n0.750000 0.754232 0.386431 O\n0.250000 0.770637 0.549275 O\n0.250000 0.998667 0.342766 O\n0.750000 0.994932 0.104108 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Gd",
"Hf",
"O"
],
"chemical_system": "Gd-Hf-O",
"density": 7.887672504645749,
"density_atomic": 0.06632007233416978,
"volume": 482.5085207802584,
"volume_molar": 9.080419468869065,
"formula_full": "Gd8 Hf4 O20",
"formula_reduced": "Gd2HfO5",
"formula_anonymous": "AB2C5",
"energy": -377.25531631,
"energy_per_atom": -11.7892286346875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.51531631,
"band_gap": 3.1575000000000006,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 56.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.028000Z",
"spacegroup": 62
},
{
"id": "mp-754041",
"created_at": "2022-09-04T14:41:34.454652Z",
"structure_string": "Gd4 Hf2 O10\n1.0\n2.073934 -5.710892 0.000000\n2.073934 5.710892 0.000000\n0.000000 0.000000 10.972599\nGd Hf O\n4 2 10\ndirect\n0.861283 0.138717 0.567387 Gd\n0.861283 0.138717 0.932613 Gd\n0.138717 0.861283 0.067387 Gd\n0.138717 0.861283 0.432613 Gd\n0.823342 0.176658 0.250000 Hf\n0.176658 0.823342 0.750000 Hf\n0.949898 0.050102 0.119899 O\n0.949898 0.050102 0.380101 O\n0.710203 0.289797 0.409261 O\n0.710203 0.289797 0.090739 O\n0.730319 0.269681 0.750000 O\n0.269681 0.730319 0.250000 O\n0.050102 0.949898 0.619899 O\n0.050102 0.949898 0.880101 O\n0.289797 0.710203 0.590739 O\n0.289797 0.710203 0.909261 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Gd",
"Hf",
"O"
],
"chemical_system": "Gd-Hf-O",
"density": 7.321254089155676,
"density_atomic": 0.06155758881769744,
"volume": 259.91921235550564,
"volume_molar": 9.782938018957411,
"formula_full": "Gd4 Hf2 O10",
"formula_reduced": "Gd2HfO5",
"formula_anonymous": "AB2C5",
"energy": -188.7115429,
"energy_per_atom": -11.79447143125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.8415429,
"band_gap": 3.1449000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0006977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.120000Z",
"spacegroup": 63
},
{
"id": "mp-1186767",
"created_at": "2022-09-04T14:48:27.058510Z",
"structure_string": "Ta2 Nb1 Re1\n1.0\n0.000000 3.252145 3.252145\n3.252145 0.000000 3.252145\n3.252145 3.252145 0.000000\nTa Nb Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Re"
],
"chemical_system": "Nb-Re-Ta",
"density": 15.472967791087697,
"density_atomic": 0.058146060160750614,
"volume": 68.7922791147259,
"volume_molar": 10.35691970075219,
"formula_full": "Ta2 Nb1 Re1",
"formula_reduced": "Ta2NbRe",
"formula_anonymous": "ABC2",
"energy": -47.24034807,
"energy_per_atom": -11.8100870175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.24034807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.270000Z",
"spacegroup": 225
},
{
"id": "mp-684989",
"created_at": "2022-09-04T14:41:23.920687Z",
"structure_string": "W18 C8\n1.0\n5.446274 -4.518994 0.000000\n5.446274 4.518994 0.000000\n1.696681 0.000000 6.870552\nW C\n18 8\ndirect\n0.136732 0.804696 0.803280 W\n0.143700 0.142759 0.463926 W\n0.142759 0.463926 0.143700 W\n0.805938 0.473268 0.474961 W\n0.804696 0.803280 0.136732 W\n0.863268 0.196720 0.195304 W\n0.803280 0.136732 0.804696 W\n0.463926 0.143700 0.142759 W\n0.856300 0.536074 0.857241 W\n0.473268 0.474961 0.805938 W\n0.857241 0.856300 0.536074 W\n0.536074 0.857241 0.856300 W\n0.474961 0.805938 0.473268 W\n0.526732 0.194062 0.525039 W\n0.525039 0.526732 0.194062 W\n0.194062 0.525039 0.526732 W\n0.195304 0.863268 0.196720 W\n0.196720 0.195304 0.863268 W\n0.165672 0.500000 0.834328 C\n0.834328 0.165672 0.500000 C\n0.000000 0.667718 0.332282 C\n0.500000 0.834328 0.165672 C\n0.000000 0.000000 0.000000 C\n0.667718 0.332282 0.000000 C\n0.500000 0.500000 0.500000 C\n0.332282 0.000000 0.667718 C\n",
"nsites": 26,
"nelements": 2,
"elements": [
"W",
"C"
],
"chemical_system": "C-W",
"density": 16.719741489222645,
"density_atomic": 0.07687948579658076,
"volume": 338.1916480138107,
"volume_molar": 7.833221954598242,
"formula_full": "W18 C8",
"formula_reduced": "W9C4",
"formula_anonymous": "A4B9",
"energy": -307.15252034,
"energy_per_atom": -11.813558474615386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.15252034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.495000Z",
"spacegroup": 155
},
{
"id": "mp-20026",
"created_at": "2022-09-04T14:45:24.529447Z",
"structure_string": "Pu6 Co3\n1.0\n3.613965 -6.259572 0.000000\n3.613965 6.259572 0.000000\n0.000000 0.000000 4.036783\nPu Co\n6 3\ndirect\n0.577084 0.000000 0.500000 Pu\n0.422916 0.422916 0.500000 Pu\n0.000000 0.577084 0.500000 Pu\n0.000000 0.255182 0.000000 Pu\n0.744818 0.744818 0.000000 Pu\n0.255182 0.000000 0.000000 Pu\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Pu",
"Co"
],
"chemical_system": "Co-Pu",
"density": 14.91800174447549,
"density_atomic": 0.049277484278972945,
"volume": 182.63919377557113,
"volume_molar": 12.220877035660056,
"formula_full": "Pu6 Co3",
"formula_reduced": "Pu2Co",
"formula_anonymous": "AB2",
"energy": -106.38785033000002,
"energy_per_atom": -11.82087225888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.38785033000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0401819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.060000Z",
"spacegroup": 189
},
{
"id": "mp-864770",
"created_at": "2022-09-04T14:39:09.347298Z",
"structure_string": "Ta2 Mo1 Os1\n1.0\n0.000000 3.206855 3.206855\n3.206855 0.000000 3.206855\n3.206855 3.206855 0.000000\nTa Mo Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mo",
"Os"
],
"chemical_system": "Mo-Os-Ta",
"density": 16.315493248518685,
"density_atomic": 0.060644584552878536,
"volume": 65.95807407192696,
"volume_molar": 9.930220157991263,
"formula_full": "Ta2 Mo1 Os1",
"formula_reduced": "Ta2MoOs",
"formula_anonymous": "ABC2",
"energy": -47.35538808,
"energy_per_atom": -11.83884702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.35538808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.676000Z",
"spacegroup": 225
},
{
"id": "mp-569794",
"created_at": "2022-09-04T14:40:08.941607Z",
"structure_string": "Ta30\n1.0\n10.249574 0.000000 0.000000\n0.000000 10.249574 0.000000\n0.000000 0.000000 5.344220\nTa\n30\ndirect\n0.965334 0.370954 0.000000 Ta\n0.261126 0.932835 0.500000 Ta\n0.318645 0.681355 0.750025 Ta\n0.129046 0.465334 0.500000 Ta\n0.870954 0.534666 0.500000 Ta\n0.895267 0.104733 0.000000 Ta\n0.818645 0.818645 0.749975 Ta\n0.181355 0.181355 0.250025 Ta\n0.738874 0.067165 0.500000 Ta\n0.932835 0.261126 0.500000 Ta\n0.395267 0.395267 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.534666 0.870954 0.500000 Ta\n0.567165 0.761126 0.000000 Ta\n0.034666 0.629046 0.000000 Ta\n0.604733 0.604733 0.500000 Ta\n0.318645 0.681355 0.249975 Ta\n0.681355 0.318645 0.249975 Ta\n0.000000 0.000000 0.500000 Ta\n0.818645 0.818645 0.250025 Ta\n0.681355 0.318645 0.750025 Ta\n0.432835 0.238874 0.000000 Ta\n0.181355 0.181355 0.749975 Ta\n0.761126 0.567165 0.000000 Ta\n0.370954 0.965334 0.000000 Ta\n0.067165 0.738874 0.500000 Ta\n0.629046 0.034666 0.000000 Ta\n0.465334 0.129046 0.500000 Ta\n0.238874 0.432835 0.000000 Ta\n0.104733 0.895267 0.000000 Ta\n",
"nsites": 30,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.05565001820195,
"density_atomic": 0.05343493631222564,
"volume": 561.4304436465877,
"volume_molar": 11.270043861963329,
"formula_full": "Ta30",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -355.52228672,
"energy_per_atom": -11.850742890666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.52228672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005386,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.787000Z",
"spacegroup": 136
},
{
"id": "mp-42",
"created_at": "2022-09-04T14:45:55.641681Z",
"structure_string": "Ta30\n1.0\n10.247595 0.000000 0.000000\n0.000000 10.247595 0.000000\n0.000000 0.000000 5.346795\nTa\n30\ndirect\n0.500000 0.000000 0.242766 Ta\n0.000000 0.500000 0.757234 Ta\n0.761328 0.932621 0.243334 Ta\n0.067379 0.761328 0.756666 Ta\n0.932621 0.238672 0.756666 Ta\n0.238672 0.067379 0.243334 Ta\n0.261328 0.567379 0.756666 Ta\n0.738672 0.432621 0.756666 Ta\n0.432621 0.261328 0.243334 Ta\n0.567379 0.738672 0.243334 Ta\n0.034779 0.871117 0.257104 Ta\n0.128883 0.034779 0.742896 Ta\n0.871117 0.965221 0.742896 Ta\n0.965221 0.128883 0.257104 Ta\n0.534779 0.628883 0.742896 Ta\n0.465221 0.371117 0.742896 Ta\n0.371117 0.534779 0.257104 Ta\n0.628883 0.465221 0.257104 Ta\n0.604817 0.895183 0.740514 Ta\n0.104817 0.604817 0.259486 Ta\n0.895183 0.395183 0.259486 Ta\n0.395183 0.104817 0.740514 Ta\n0.818988 0.681012 0.002362 Ta\n0.318988 0.818988 0.997638 Ta\n0.681012 0.181012 0.997638 Ta\n0.181012 0.318988 0.002362 Ta\n0.318717 0.818717 0.499279 Ta\n0.181283 0.318717 0.500721 Ta\n0.818717 0.681283 0.500721 Ta\n0.681283 0.181283 0.499279 Ta\n",
"nsites": 30,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.05411656414693,
"density_atomic": 0.053429832811609054,
"volume": 561.4840702530086,
"volume_molar": 11.271120351871154,
"formula_full": "Ta30",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -355.52333963,
"energy_per_atom": -11.850777987666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.52333963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.718000Z",
"spacegroup": 113
},
{
"id": "mp-779249",
"created_at": "2022-09-04T14:45:59.635762Z",
"structure_string": "Gd6 Ta2 O14\n1.0\n3.721031 -5.387145 0.000000\n3.721031 5.387145 0.000000\n0.000000 0.000000 7.594552\nGd Ta O\n6 2 14\ndirect\n0.518848 0.059905 0.250000 Gd\n0.940095 0.481152 0.750000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.059905 0.518848 0.250000 Gd\n0.481152 0.940095 0.750000 Gd\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.890532 0.154000 0.250000 O\n0.846000 0.109468 0.750000 O\n0.818734 0.562014 0.036068 O\n0.437986 0.181266 0.963932 O\n0.818734 0.562014 0.463932 O\n0.437986 0.181266 0.536068 O\n0.576275 0.576275 0.750000 O\n0.423725 0.423725 0.250000 O\n0.181266 0.437986 0.536068 O\n0.562014 0.818734 0.036068 O\n0.181266 0.437986 0.963932 O\n0.562014 0.818734 0.463932 O\n0.154000 0.890532 0.250000 O\n0.109468 0.846000 0.750000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Gd",
"Ta",
"O"
],
"chemical_system": "Gd-O-Ta",
"density": 8.340891752052265,
"density_atomic": 0.07225511087440163,
"volume": 304.4767315940014,
"volume_molar": 8.334553344562798,
"formula_full": "Gd6 Ta2 O14",
"formula_reduced": "Gd3TaO7",
"formula_anonymous": "AB3C7",
"energy": -260.73161199000003,
"energy_per_atom": -11.851436908636366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.11361199,
"band_gap": 2.5573,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.9984566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.711000Z",
"spacegroup": 63
},
{
"id": "mp-50",
"created_at": "2022-09-04T14:47:18.301684Z",
"structure_string": "Ta1\n1.0\n-1.661144 1.661144 1.661144\n1.661144 -1.661144 1.661144\n1.661144 1.661144 -1.661144\nTa\n1\ndirect\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.38780394913755,
"density_atomic": 0.054540380447173645,
"volume": 18.335038952809896,
"volume_molar": 11.04161854139042,
"formula_full": "Ta1",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -11.85777763,
"energy_per_atom": -11.85777763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.85777763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.814000Z",
"spacegroup": 229
},
{
"id": "mp-11555",
"created_at": "2022-09-04T14:46:34.587042Z",
"structure_string": "Pu1 Ru1\n1.0\n3.271976 0.000000 0.000000\n0.000000 3.271976 0.000000\n0.000000 0.000000 3.271976\nPu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Ru"
],
"chemical_system": "Pu-Ru",
"density": 16.35784064122525,
"density_atomic": 0.057095209033036644,
"volume": 35.029208822806,
"volume_molar": 10.547541312118582,
"formula_full": "Pu1 Ru1",
"formula_reduced": "PuRu",
"formula_anonymous": "AB",
"energy": -23.71950551,
"energy_per_atom": -11.859752755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.71950551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.18239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.495000Z",
"spacegroup": 221
},
{
"id": "mp-1224230",
"created_at": "2022-09-04T14:46:22.982303Z",
"structure_string": "Hf1 W2\n1.0\n-1.618201 -1.678340 1.678340\n-1.618201 1.678340 -1.678340\n1.618201 -4.879717 -4.879717\nHf W\n1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.673282 0.673282 0.346563 W\n0.326718 0.326718 0.653437 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hf",
"W"
],
"chemical_system": "Hf-W",
"density": 17.10841992524264,
"density_atomic": 0.05659189245469611,
"volume": 53.011127033816905,
"volume_molar": 10.641348961462889,
"formula_full": "Hf1 W2",
"formula_reduced": "HfW2",
"formula_anonymous": "AB2",
"energy": -35.58483054,
"energy_per_atom": -11.86161018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.58483054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.044000Z",
"spacegroup": 69
}
]
}