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=150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=148",
"results": [
{
"id": "mp-1195591",
"created_at": "2022-09-04T14:39:27.754221Z",
"structure_string": "Li2 Al2 H68 C24 N8\n1.0\n5.446353 -9.433361 0.000000\n5.446353 9.433361 0.000000\n0.000000 0.000000 11.153694\nLi Al H C N\n2 2 68 24 8\ndirect\n0.666667 0.333333 0.004871 Li\n0.333333 0.666667 0.504871 Li\n0.666667 0.333333 0.324789 Al\n0.333333 0.666667 0.824789 Al\n0.878372 0.480227 0.771516 H\n0.519773 0.398146 0.771516 H\n0.601854 0.121628 0.771516 H\n0.121628 0.519773 0.271516 H\n0.480227 0.601854 0.271516 H\n0.398146 0.878372 0.271516 H\n0.756221 0.493505 0.675602 H\n0.506495 0.262715 0.675602 H\n0.737285 0.243779 0.675602 H\n0.243779 0.506495 0.175602 H\n0.493505 0.737285 0.175602 H\n0.262715 0.756221 0.175602 H\n0.685068 0.599974 0.838025 H\n0.400026 0.085094 0.838025 H\n0.914906 0.314932 0.838025 H\n0.314932 0.400026 0.338025 H\n0.599974 0.914906 0.338025 H\n0.085094 0.685068 0.338025 H\n0.869984 0.695857 0.811925 H\n0.304143 0.174127 0.811925 H\n0.825873 0.130016 0.811925 H\n0.130016 0.304143 0.311925 H\n0.695857 0.825873 0.311925 H\n0.174127 0.869984 0.311925 H\n0.845947 0.780890 0.031204 H\n0.219110 0.065058 0.031204 H\n0.934942 0.154053 0.031204 H\n0.154053 0.219110 0.531204 H\n0.780890 0.934942 0.531204 H\n0.065058 0.845947 0.531204 H\n0.662185 0.648558 0.028678 H\n0.351442 0.013627 0.028678 H\n0.986373 0.337815 0.028678 H\n0.337815 0.351442 0.528678 H\n0.648558 0.986373 0.528678 H\n0.013627 0.662185 0.528678 H\n0.775551 0.646187 0.143892 H\n0.353813 0.129365 0.143892 H\n0.870635 0.224449 0.143892 H\n0.224449 0.353813 0.643892 H\n0.646187 0.870635 0.643892 H\n0.129365 0.775551 0.643892 H\n0.022856 0.723871 0.987342 H\n0.276129 0.298985 0.987342 H\n0.701015 0.977144 0.987342 H\n0.977144 0.276129 0.487342 H\n0.723871 0.701015 0.487342 H\n0.298985 0.022856 0.487342 H\n0.980806 0.549264 0.946247 H\n0.450736 0.431542 0.946247 H\n0.568458 0.019194 0.946247 H\n0.019194 0.450736 0.446247 H\n0.549264 0.568458 0.446247 H\n0.431542 0.980806 0.446247 H\n0.952967 0.584590 0.096699 H\n0.415410 0.368377 0.096699 H\n0.631623 0.047033 0.096699 H\n0.047033 0.415410 0.596699 H\n0.584590 0.631623 0.596699 H\n0.368377 0.952967 0.596699 H\n0.666667 0.333333 0.176209 H\n0.333333 0.666667 0.676209 H\n0.799281 0.484824 0.370948 H\n0.515176 0.314456 0.370948 H\n0.685544 0.200719 0.370948 H\n0.200719 0.515176 0.870948 H\n0.484824 0.685544 0.870948 H\n0.314456 0.799281 0.870948 H\n0.775199 0.475387 0.769683 C\n0.524613 0.299812 0.769683 C\n0.700188 0.224801 0.769683 C\n0.224801 0.524613 0.269683 C\n0.475387 0.700188 0.269683 C\n0.299812 0.775199 0.269683 C\n0.782820 0.594143 0.847360 C\n0.405857 0.188677 0.847360 C\n0.811323 0.217180 0.847360 C\n0.217180 0.405857 0.347360 C\n0.594143 0.811323 0.347360 C\n0.188677 0.782820 0.347360 C\n0.768895 0.667413 0.048554 C\n0.332587 0.101482 0.048554 C\n0.898518 0.231105 0.048554 C\n0.231105 0.332587 0.548554 C\n0.667413 0.898518 0.548554 C\n0.101482 0.768895 0.548554 C\n0.946922 0.609587 0.002244 C\n0.390413 0.337335 0.002244 C\n0.662665 0.053078 0.002244 C\n0.053078 0.390413 0.502244 C\n0.609587 0.662665 0.502244 C\n0.337335 0.946922 0.502244 C\n0.666667 0.333333 0.810399 N\n0.333333 0.666667 0.310399 N\n0.801092 0.575071 0.975394 N\n0.424929 0.226021 0.975394 N\n0.773979 0.198908 0.975394 N\n0.198908 0.424929 0.475394 N\n0.575071 0.773979 0.475394 N\n0.226021 0.801092 0.475394 N\n",
"nsites": 104,
"nelements": 5,
"elements": [
"Li",
"Al",
"H",
"C",
"N"
],
"chemical_system": "Al-C-H-Li-N",
"density": 0.777599560022158,
"density_atomic": 0.09074284207901188,
"volume": 1146.095908142758,
"volume_molar": 6.63649123393819,
"formula_full": "Li2 Al2 H68 C24 N8",
"formula_reduced": "LiAlH34(C3N)4",
"formula_anonymous": "ABC4D12E34",
"energy": -546.14906833,
"energy_per_atom": -5.2514333493269225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -543.26106833,
"band_gap": 4.2603,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.880000Z",
"spacegroup": 173
},
{
"id": "mp-1097445",
"created_at": "2022-09-04T14:42:28.375022Z",
"structure_string": "Be2 Co1 Os1\n1.0\n-4.339874 4.808834 6.834397\n4.339874 -4.808834 6.834397\n4.339874 4.808834 -6.834397\nBe Co Os\n2 1 1\ndirect\n0.000000 0.251430 0.251430 Be\n0.000000 0.748570 0.748570 Be\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Os"
],
"chemical_system": "Be-Co-Os",
"density": 0.7776572574278958,
"density_atomic": 0.007011047200569312,
"volume": 570.5281801091271,
"volume_molar": 85.89502520409489,
"formula_full": "Be2 Co1 Os1",
"formula_reduced": "Be2CoOs",
"formula_anonymous": "ABC2",
"energy": -12.60196531,
"energy_per_atom": -3.1504913275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.60196531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.295000Z",
"spacegroup": 71
},
{
"id": "mp-1095973",
"created_at": "2022-09-04T14:40:38.240036Z",
"structure_string": "Li1 La1 Au2\n1.0\n-5.453808 6.139999 8.600326\n5.453808 -6.139999 8.600326\n5.453808 6.139999 -8.600326\nLi La Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.238757 0.238757 Au\n0.000000 0.761243 0.761243 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Au"
],
"chemical_system": "Au-La-Li",
"density": 0.7780768982655775,
"density_atomic": 0.003472297608603829,
"volume": 1151.9749891508736,
"volume_molar": 173.43388841665083,
"formula_full": "Li1 La1 Au2",
"formula_reduced": "LiLaAu2",
"formula_anonymous": "ABC2",
"energy": -9.50916517,
"energy_per_atom": -2.3772912925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.50916517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.297000Z",
"spacegroup": 71
},
{
"id": "mp-1093801",
"created_at": "2022-09-04T14:41:58.863636Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n-4.685655 5.550381 7.850488\n4.685655 -5.550381 7.850488\n4.685655 5.550381 -7.850488\nSc Os Rh\n2 1 1\ndirect\n0.000000 0.247396 0.247396 Sc\n0.000000 0.752604 0.752604 Sc\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 0.7788463341400644,
"density_atomic": 0.004897903692153021,
"volume": 816.6759192118127,
"volume_molar": 122.95343351989811,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy": -21.49326846,
"energy_per_atom": -5.373317115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.49326846,
"band_gap": 0.4663999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.289000Z",
"spacegroup": 71
},
{
"id": "mp-1097537",
"created_at": "2022-09-04T14:44:16.560818Z",
"structure_string": "Ti2 Mn1 Pt1\n1.0\n-4.545550 5.264906 7.699382\n4.545550 -5.264906 7.699382\n4.545550 5.264906 -7.699382\nTi Mn Pt\n2 1 1\ndirect\n0.000000 0.236376 0.236376 Ti\n0.000000 0.763624 0.763624 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Pt"
],
"chemical_system": "Mn-Pt-Ti",
"density": 0.7789793760138065,
"density_atomic": 0.005427090598648262,
"volume": 737.0431591829864,
"volume_molar": 110.96444126987578,
"formula_full": "Ti2 Mn1 Pt1",
"formula_reduced": "Ti2MnPt",
"formula_anonymous": "ABC2",
"energy": -20.13250876,
"energy_per_atom": -5.03312719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.13250876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9989509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.768000Z",
"spacegroup": 71
},
{
"id": "mp-1096748",
"created_at": "2022-09-04T14:40:58.979366Z",
"structure_string": "Hf1 Al1 Tc2\n1.0\n-4.802919 5.613172 7.934831\n4.802919 -5.613172 7.934831\n4.802919 5.613172 -7.934831\nHf Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.257951 0.257951 Tc\n0.000000 0.742049 0.742049 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Tc"
],
"chemical_system": "Al-Hf-Tc",
"density": 0.7790988702046192,
"density_atomic": 0.004674645759758561,
"volume": 855.6798109567547,
"volume_molar": 128.8256066767942,
"formula_full": "Hf1 Al1 Tc2",
"formula_reduced": "HfAlTc2",
"formula_anonymous": "ABC2",
"energy": -21.1937706,
"energy_per_atom": -5.29844265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.1937706,
"band_gap": 0.221,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0000429,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.540000Z",
"spacegroup": 71
},
{
"id": "mp-1093745",
"created_at": "2022-09-04T14:48:07.972603Z",
"structure_string": "Zn1 Ga1 Pd2\n1.0\n-4.816181 5.216891 7.376745\n4.816181 -5.216891 7.376745\n4.816181 5.216891 -7.376745\nZn Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.000000 0.257879 0.257879 Pd\n0.000000 0.742121 0.742121 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Zn",
"density": 0.7793886402810787,
"density_atomic": 0.005395362960398728,
"volume": 741.3773696708612,
"volume_molar": 111.61697191091203,
"formula_full": "Zn1 Ga1 Pd2",
"formula_reduced": "ZnGaPd2",
"formula_anonymous": "ABC2",
"energy": -10.15073039,
"energy_per_atom": -2.5376825975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.15073039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.000056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.755000Z",
"spacegroup": 71
},
{
"id": "mp-1096556",
"created_at": "2022-09-04T14:47:11.819912Z",
"structure_string": "Ti2 Mo1 Au1\n1.0\n-4.891530 5.476511 7.725781\n4.891530 -5.476511 7.725781\n4.891530 5.476511 -7.725781\nTi Mo Au\n2 1 1\ndirect\n0.000000 0.225597 0.225597 Ti\n0.000000 0.774403 0.774403 Ti\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"Au"
],
"chemical_system": "Au-Mo-Ti",
"density": 0.7795539213776785,
"density_atomic": 0.004831799683958059,
"volume": 827.8488889513162,
"volume_molar": 124.63556343186089,
"formula_full": "Ti2 Mo1 Au1",
"formula_reduced": "Ti2MoAu",
"formula_anonymous": "ABC2",
"energy": -18.322978,
"energy_per_atom": -4.5807445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.322978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.509000Z",
"spacegroup": 71
},
{
"id": "mp-1097282",
"created_at": "2022-09-04T14:39:40.260156Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-5.757913 5.836900 8.247286\n5.757913 -5.836900 8.247286\n5.757913 5.836900 -8.247286\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.237947 0.237947 Hg\n0.000000 0.762053 0.762053 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 0.779611312960708,
"density_atomic": 0.0036077928475945864,
"volume": 1108.7111064779976,
"volume_molar": 166.92035863464625,
"formula_full": "Li1 Cd1 Hg2",
"formula_reduced": "LiCdHg2",
"formula_anonymous": "ABC2",
"energy": -1.7696006,
"energy_per_atom": -0.44240015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.7696006,
"band_gap": 0.0521,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.454000Z",
"spacegroup": 71
},
{
"id": "mp-1096074",
"created_at": "2022-09-04T14:45:03.770267Z",
"structure_string": "Ti1 Be2 Pt1\n1.0\n-7.971817 0.000000 -4.602530\n-7.983924 -0.019597 4.623502\n-5.309342 7.545263 -0.009011\nTi Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.723418 0.000000 0.000000 Be\n0.276582 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Pt"
],
"chemical_system": "Be-Pt-Ti",
"density": 0.7796502320394769,
"density_atomic": 0.007196332053060671,
"volume": 555.8387204073998,
"volume_molar": 83.68347535379114,
"formula_full": "Ti1 Be2 Pt1",
"formula_reduced": "TiBe2Pt",
"formula_anonymous": "ABC2",
"energy": -11.33951114,
"energy_per_atom": -2.834877785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.33951114,
"band_gap": 0.2283999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2474115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.234000Z",
"spacegroup": 71
},
{
"id": "mp-1097604",
"created_at": "2022-09-04T14:47:20.908252Z",
"structure_string": "Zr1 Ge1 Rh2\n1.0\n-4.583119 5.510349 7.791601\n4.583119 -5.510349 7.791601\n4.583119 5.510349 -7.791601\nZr Ge Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ge\n0.000000 0.258576 0.258576 Rh\n0.000000 0.741424 0.741424 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Zr",
"density": 0.7799059673754161,
"density_atomic": 0.00508198121779596,
"volume": 787.0946051498372,
"volume_molar": 118.49986259122352,
"formula_full": "Zr1 Ge1 Rh2",
"formula_reduced": "ZrGeRh2",
"formula_anonymous": "ABC2",
"energy": -19.53004048,
"energy_per_atom": -4.88251012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.53004048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1558694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.823000Z",
"spacegroup": 71
},
{
"id": "mp-567989",
"created_at": "2022-09-04T14:46:35.948546Z",
"structure_string": "B4 H32 C4 N4\n1.0\n5.038955 0.000000 0.000000\n0.000000 6.649339 0.000000\n0.000000 0.000000 11.410643\nB H C N\n4 32 4 4\ndirect\n0.819382 0.250000 0.532483 B\n0.680618 0.250000 0.032483 B\n0.180618 0.750000 0.467517 B\n0.319382 0.750000 0.967517 B\n0.054645 0.383733 0.743011 H\n0.289032 0.599260 0.428402 H\n0.362466 0.250000 0.731096 H\n0.217126 0.373636 0.543799 H\n0.637534 0.750000 0.268904 H\n0.945355 0.616267 0.256989 H\n0.176443 0.750000 0.574603 H\n0.054645 0.116267 0.743011 H\n0.554645 0.883733 0.756989 H\n0.862466 0.750000 0.768904 H\n0.782874 0.873636 0.456201 H\n0.445355 0.383733 0.243011 H\n0.710968 0.400740 0.571598 H\n0.676443 0.250000 0.925397 H\n0.782874 0.626364 0.456201 H\n0.554645 0.616267 0.756989 H\n0.282874 0.126364 0.043799 H\n0.282874 0.373636 0.043799 H\n0.210968 0.599260 0.928402 H\n0.137534 0.250000 0.231096 H\n0.323557 0.750000 0.074603 H\n0.217126 0.126364 0.543799 H\n0.789032 0.400740 0.071598 H\n0.289032 0.900740 0.428402 H\n0.210968 0.900740 0.928402 H\n0.717126 0.873636 0.956201 H\n0.823557 0.250000 0.425397 H\n0.710968 0.099260 0.571598 H\n0.789032 0.099260 0.071598 H\n0.445355 0.116267 0.243011 H\n0.945355 0.883733 0.256989 H\n0.717126 0.626364 0.956201 H\n0.848273 0.750000 0.292995 C\n0.651727 0.750000 0.792995 C\n0.348273 0.250000 0.207005 C\n0.151727 0.250000 0.707005 C\n0.120367 0.250000 0.577638 N\n0.879633 0.750000 0.422362 N\n0.620367 0.750000 0.922362 N\n0.379633 0.250000 0.077638 N\n",
"nsites": 44,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"N"
],
"chemical_system": "B-C-H-N",
"density": 0.7799166576901192,
"density_atomic": 0.11508629358761913,
"volume": 382.3218093864609,
"volume_molar": 5.232717617598083,
"formula_full": "B4 H32 C4 N4",
"formula_reduced": "BH8CN",
"formula_anonymous": "ABCD8",
"energy": -216.65966432,
"energy_per_atom": -4.92408328,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.21566432,
"band_gap": 6.0913,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.420000Z",
"spacegroup": 62
}
]
}