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_above_hull&page=12145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12143",
"results": [
{
"id": "mp-771197",
"created_at": "2022-09-04T14:44:20.703585Z",
"structure_string": "Li8 Co14 O32\n1.0\n8.105795 0.000000 0.000000\n0.000000 8.045087 0.000000\n0.000000 0.051169 8.097023\nLi Co O\n8 14 32\ndirect\n0.498121 0.254472 0.500878 Li\n0.251999 0.000476 0.250598 Li\n0.751999 0.999524 0.749402 Li\n0.998121 0.745528 0.499122 Li\n0.372630 0.620987 0.376213 Li\n0.748075 0.496668 0.255038 Li\n0.248075 0.503332 0.744962 Li\n0.872630 0.379013 0.623787 Li\n0.876734 0.123020 0.375009 Co\n0.126943 0.127393 0.619587 Co\n0.379048 0.129439 0.876358 Co\n0.879048 0.870561 0.123642 Co\n0.626943 0.872607 0.380413 Co\n0.376734 0.876980 0.624991 Co\n0.499353 0.754678 0.007324 Co\n0.118086 0.627445 0.120501 Co\n0.874656 0.627476 0.882665 Co\n0.630255 0.627692 0.631986 Co\n0.130255 0.372308 0.368014 Co\n0.374656 0.372524 0.117335 Co\n0.618086 0.372555 0.879499 Co\n0.999353 0.245322 0.992676 Co\n0.362465 0.149096 0.095583 O\n0.599584 0.151484 0.863583 O\n0.113086 0.136021 0.385834 O\n0.903820 0.112746 0.600882 O\n0.140680 0.137515 0.855011 O\n0.361231 0.111706 0.642378 O\n0.890600 0.105088 0.140743 O\n0.656552 0.100985 0.386314 O\n0.156552 0.899015 0.613686 O\n0.390600 0.894912 0.859257 O\n0.861231 0.888294 0.357622 O\n0.640680 0.862485 0.144989 O\n0.403820 0.887254 0.399118 O\n0.613086 0.863979 0.614166 O\n0.099584 0.848516 0.136417 O\n0.862465 0.850904 0.904417 O\n0.630615 0.648795 0.401014 O\n0.395748 0.654141 0.629727 O\n0.886846 0.635196 0.116172 O\n0.093928 0.615281 0.897497 O\n0.853638 0.632733 0.651904 O\n0.636030 0.612497 0.870455 O\n0.120028 0.595450 0.351438 O\n0.354090 0.613428 0.117312 O\n0.854090 0.386572 0.882688 O\n0.620028 0.404550 0.648562 O\n0.136030 0.387503 0.129545 O\n0.353638 0.367267 0.348096 O\n0.593928 0.384719 0.102503 O\n0.386846 0.364804 0.883828 O\n0.895748 0.345859 0.370273 O\n0.130615 0.351205 0.598986 O\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.379408928679571,
"density_atomic": 0.10226853294088224,
"volume": 528.0216548252967,
"volume_molar": 5.888556906826054,
"formula_full": "Li8 Co14 O32",
"formula_reduced": "Li4Co7O16",
"formula_anonymous": "A4B7C16",
"energy": -347.08015692,
"energy_per_atom": -6.427410313333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -302.16415692,
"band_gap": 0.0399,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 17.9998999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.915000Z",
"spacegroup": 4
},
{
"id": "mp-1191123",
"created_at": "2022-09-04T14:44:20.708779Z",
"structure_string": "Sm2 In4 Ni18\n1.0\n8.277221 0.000000 0.000000\n0.000000 8.277221 0.000000\n0.000000 0.000000 4.834276\nSm In Ni\n2 4 18\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Sm\n0.124353 0.624353 0.000000 In\n0.875647 0.375647 0.000000 In\n0.375647 0.124353 0.000000 In\n0.624353 0.875647 0.000000 In\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.564110 0.706969 0.500000 Ni\n0.435890 0.293031 0.500000 Ni\n0.935890 0.206969 0.500000 Ni\n0.064110 0.793031 0.500000 Ni\n0.706969 0.435890 0.500000 Ni\n0.293031 0.564110 0.500000 Ni\n0.206969 0.064110 0.500000 Ni\n0.793031 0.935890 0.500000 Ni\n0.323750 0.823750 0.751369 Ni\n0.676250 0.176250 0.751369 Ni\n0.176250 0.323750 0.751369 Ni\n0.823750 0.676250 0.751369 Ni\n0.676250 0.176250 0.248631 Ni\n0.323750 0.823750 0.248631 Ni\n0.823750 0.676250 0.248631 Ni\n0.176250 0.323750 0.248631 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"In",
"Ni"
],
"chemical_system": "In-Ni-Sm",
"density": 9.10704638733958,
"density_atomic": 0.07246206365789881,
"volume": 331.2077905109987,
"volume_molar": 8.310749730274278,
"formula_full": "Sm2 In4 Ni18",
"formula_reduced": "SmIn2Ni9",
"formula_anonymous": "AB2C9",
"energy": -129.56481948,
"energy_per_atom": -5.398534145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.56481948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9064914,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.771000Z",
"spacegroup": 127
},
{
"id": "mp-1070572",
"created_at": "2022-09-04T14:44:20.717032Z",
"structure_string": "Th1 Si3 Os1\n1.0\n-2.127418 2.127418 4.986413\n2.127418 -2.127418 4.986413\n2.127418 2.127418 -4.986413\nTh Si Os\n1 3 1\ndirect\n0.994813 0.994813 0.000000 Th\n0.417726 0.417726 0.000000 Si\n0.263294 0.763294 0.500000 Si\n0.763294 0.263294 0.500000 Si\n0.654873 0.654873 0.000000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Si",
"Os"
],
"chemical_system": "Os-Si-Th",
"density": 9.317420782583048,
"density_atomic": 0.05538805412738049,
"volume": 90.27217292200024,
"volume_molar": 10.87263464094692,
"formula_full": "Th1 Si3 Os1",
"formula_reduced": "ThSi3Os",
"formula_anonymous": "ABC3",
"energy": -38.08424478,
"energy_per_atom": -7.616848956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.29724478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000356,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.292000Z",
"spacegroup": 107
},
{
"id": "mp-1518599",
"created_at": "2022-09-04T14:44:20.717648Z",
"structure_string": "Na1 Eu1 Hf1 Sb1 O6\n1.0\n0.000000 -4.056941 -4.056941\n4.056941 -0.000000 -4.056941\n4.056941 -4.056941 0.000000\nNa Eu Hf Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sb\n0.745494 0.254506 0.254506 O\n0.254506 0.745494 0.745494 O\n0.745494 0.254506 0.745494 O\n0.254506 0.745494 0.254506 O\n0.745494 0.745494 0.254506 O\n0.254506 0.254506 0.745494 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Eu",
"Hf",
"Sb",
"O"
],
"chemical_system": "Eu-Hf-Na-O-Sb",
"density": 7.102501822406912,
"density_atomic": 0.074881395415878,
"volume": 133.5445198965881,
"volume_molar": 8.042238965438742,
"formula_full": "Na1 Eu1 Hf1 Sb1 O6",
"formula_reduced": "NaEuHfSbO6",
"formula_anonymous": "ABCDE6",
"energy": -84.14956834,
"energy_per_atom": -8.414956834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.02756833999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0004039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.673000Z",
"spacegroup": 216
},
{
"id": "mp-1221597",
"created_at": "2022-09-04T14:44:20.720634Z",
"structure_string": "Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.5405933087459964,
"density_atomic": 0.01416077282315193,
"volume": 423.7056885899896,
"volume_molar": 42.526921625027384,
"formula_full": "Na6",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.47045194,
"energy_per_atom": -0.91174199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.47045194,
"band_gap": 0.2698,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.157000Z",
"spacegroup": 216
},
{
"id": "mp-755248",
"created_at": "2022-09-04T14:44:20.723914Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.962709 0.000000 0.000000\n0.000000 7.000102 0.000000\n0.000000 1.463076 7.028165\nMn O F\n8 14 2\ndirect\n0.264342 0.824038 0.064016 Mn\n0.745716 0.171857 0.412872 Mn\n0.261941 0.324069 0.069871 Mn\n0.728526 0.672341 0.432919 Mn\n0.245716 0.828143 0.587128 Mn\n0.764342 0.175962 0.935984 Mn\n0.761941 0.675931 0.930129 Mn\n0.228526 0.327659 0.567081 Mn\n0.935592 0.190251 0.165939 O\n0.434945 0.076721 0.064989 O\n0.089672 0.577760 0.061371 O\n0.066471 0.078845 0.558034 O\n0.583687 0.690704 0.171130 O\n0.566471 0.921155 0.441966 O\n0.914067 0.690118 0.671754 O\n0.405890 0.577121 0.559634 O\n0.934945 0.923279 0.935011 O\n0.435592 0.809749 0.834061 O\n0.414067 0.309882 0.328246 O\n0.905890 0.422879 0.440366 O\n0.083687 0.309296 0.828870 O\n0.589672 0.422240 0.938629 O\n0.569151 0.190010 0.683519 F\n0.069151 0.809990 0.316481 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.770975290884697,
"density_atomic": 0.09829832431738186,
"volume": 244.15472152414034,
"volume_molar": 6.126392084320729,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy": -191.70484103,
"energy_per_atom": -7.987701709583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.81884103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0020003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.366000Z",
"spacegroup": 4
},
{
"id": "mp-865877",
"created_at": "2022-09-04T14:44:20.726573Z",
"structure_string": "Ti2 Re1 Pt1\n1.0\n0.000000 3.136487 3.136487\n3.136487 0.000000 3.136487\n3.136487 3.136487 0.000000\nTi Re Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Pt"
],
"chemical_system": "Pt-Re-Ti",
"density": 12.83600171720623,
"density_atomic": 0.06481858113376107,
"volume": 61.71069977211489,
"volume_molar": 9.290763010644396,
"formula_full": "Ti2 Re1 Pt1",
"formula_reduced": "Ti2RePt",
"formula_anonymous": "ABC2",
"energy": -36.96020689,
"energy_per_atom": -9.2400517225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.96020689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.072000Z",
"spacegroup": 225
},
{
"id": "mp-24341",
"created_at": "2022-09-04T14:44:20.728601Z",
"structure_string": "Cs2 Be2 H6\n1.0\n5.960748 0.000000 0.000000\n0.000000 5.108013 0.000000\n0.000000 2.460324 7.475251\nCs Be H\n2 2 6\ndirect\n0.750000 0.182305 0.231128 Cs\n0.250000 0.817695 0.768872 Cs\n0.250000 0.760692 0.238747 Be\n0.750000 0.239308 0.761253 Be\n0.953417 0.303725 0.828274 H\n0.453417 0.696275 0.171726 H\n0.046583 0.696275 0.171726 H\n0.546583 0.303725 0.828274 H\n0.750000 0.091313 0.637912 H\n0.250000 0.908687 0.362088 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Be",
"H"
],
"chemical_system": "Be-Cs-H",
"density": 2.114916235490869,
"density_atomic": 0.043936096014753456,
"volume": 227.6032899382336,
"volume_molar": 13.706590494471344,
"formula_full": "Cs2 Be2 H6",
"formula_reduced": "CsBeH3",
"formula_anonymous": "ABC3",
"energy": -31.70810747,
"energy_per_atom": -3.170810747,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.63410747,
"band_gap": 3.3661000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.230000Z",
"spacegroup": 11
},
{
"id": "mp-1183544",
"created_at": "2022-09-04T14:44:20.730783Z",
"structure_string": "Ca1 Y1 O3\n1.0\n4.345547 0.000000 0.000000\n0.000000 4.345547 0.000000\n0.000000 0.000000 4.345547\nCa Y O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Y",
"O"
],
"chemical_system": "Ca-O-Y",
"density": 3.581335142433154,
"density_atomic": 0.060930767679322005,
"volume": 82.06034800537797,
"volume_molar": 9.883579330059428,
"formula_full": "Ca1 Y1 O3",
"formula_reduced": "CaYO3",
"formula_anonymous": "ABC3",
"energy": -37.46916841,
"energy_per_atom": -7.493833682,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.40816841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.126000Z",
"spacegroup": 221
},
{
"id": "mp-1186858",
"created_at": "2022-09-04T14:44:21.251092Z",
"structure_string": "Rb6 Nb2\n1.0\n4.379338 -7.585235 0.000000\n4.379338 7.585235 0.000000\n0.000000 0.000000 6.884714\nRb Nb\n6 2\ndirect\n0.178663 0.357325 0.250000 Rb\n0.642675 0.821337 0.250000 Rb\n0.178663 0.821337 0.250000 Rb\n0.821337 0.642675 0.750000 Rb\n0.357325 0.178663 0.750000 Rb\n0.821337 0.178663 0.750000 Rb\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Nb"
],
"chemical_system": "Nb-Rb",
"density": 2.5362755376590513,
"density_atomic": 0.017490272730647037,
"volume": 457.39709855879687,
"volume_molar": 34.43137138420835,
"formula_full": "Rb6 Nb2",
"formula_reduced": "Rb3Nb",
"formula_anonymous": "AB3",
"energy": -16.59294481,
"energy_per_atom": -2.07411810125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.59294481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.5370387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.844000Z",
"spacegroup": 194
},
{
"id": "mp-554346",
"created_at": "2022-09-04T14:44:20.732198Z",
"structure_string": "K2 Sr8 B6 O18\n1.0\n3.480789 -6.054397 0.000000\n3.480789 6.054397 0.000000\n0.000000 0.000000 11.165258\nK Sr B O\n2 8 6 18\ndirect\n0.085195 0.251034 0.750000 K\n0.251034 0.085195 0.250000 K\n0.287047 0.857215 0.530766 Sr\n0.717818 0.717818 0.000000 Sr\n0.287047 0.857215 0.969234 Sr\n0.717818 0.717818 0.500000 Sr\n0.857215 0.287047 0.030766 Sr\n0.857215 0.287047 0.469234 Sr\n0.585146 0.295742 0.750000 Sr\n0.295742 0.585146 0.250000 Sr\n0.616440 0.867447 0.750000 B\n0.030714 0.690016 0.750000 B\n0.867447 0.616440 0.250000 B\n0.288106 0.288106 0.000000 B\n0.690016 0.030714 0.250000 B\n0.288106 0.288106 0.500000 B\n0.202258 0.907605 0.750000 O\n0.945337 0.574029 0.857880 O\n0.907605 0.202258 0.250000 O\n0.290931 0.485115 0.027335 O\n0.988710 0.657041 0.142105 O\n0.574029 0.945337 0.142120 O\n0.485115 0.290931 0.972665 O\n0.657041 0.988710 0.642105 O\n0.988710 0.657041 0.357895 O\n0.645877 0.550261 0.250000 O\n0.550261 0.645877 0.750000 O\n0.945337 0.574029 0.642120 O\n0.574029 0.945337 0.357880 O\n0.290931 0.485115 0.472665 O\n0.657041 0.988710 0.857895 O\n0.485115 0.290931 0.527335 O\n0.089383 0.089383 0.500000 O\n0.089383 0.089383 0.000000 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"K",
"Sr",
"B",
"O"
],
"chemical_system": "B-K-O-Sr",
"density": 3.994410546967029,
"density_atomic": 0.07224895425673253,
"volume": 470.5950466657682,
"volume_molar": 8.335263564647132,
"formula_full": "K2 Sr8 B6 O18",
"formula_reduced": "KSr4(BO3)3",
"formula_anonymous": "AB3C4D9",
"energy": -251.14808234,
"energy_per_atom": -7.386708304117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -238.78208234,
"band_gap": 4.173,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021945,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.782000Z",
"spacegroup": 40
},
{
"id": "mp-28254",
"created_at": "2022-09-04T14:44:20.736773Z",
"structure_string": "Li2 Ru2 O4\n1.0\n2.787151 0.000000 0.000000\n0.000000 5.023472 0.000000\n0.000000 0.000000 5.154590\nLi Ru O\n2 2 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.670394 0.751768 O\n0.000000 0.329606 0.248232 O\n0.500000 0.170394 0.748232 O\n0.500000 0.829606 0.251768 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ru",
"O"
],
"chemical_system": "Li-O-Ru",
"density": 6.4428633067730745,
"density_atomic": 0.1108488969893105,
"volume": 72.17031668588876,
"volume_molar": 5.432747572202486,
"formula_full": "Li2 Ru2 O4",
"formula_reduced": "LiRuO2",
"formula_anonymous": "ABC2",
"energy": -54.69823031,
"energy_per_atom": -6.83727878875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.95023031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0409765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.178000Z",
"spacegroup": 58
}
]
}