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=-formula_full&page=80",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=78",
"results": [
{
"id": "mp-1207391",
"created_at": "2022-09-04T14:40:04.454620Z",
"structure_string": "Zr2 P4 H2 O14\n1.0\n2.752811 -4.768008 0.000000\n2.752811 4.768008 0.000000\n0.000000 0.000000 12.071072\nZr P H O\n2 4 2 14\ndirect\n0.000000 0.000000 0.758791 Zr\n0.000000 0.000000 0.241209 Zr\n0.666667 0.333333 0.380195 P\n0.333333 0.666667 0.619805 P\n0.666667 0.333333 0.896616 P\n0.333333 0.666667 0.103384 P\n0.666667 0.333333 0.012847 H\n0.333333 0.666667 0.987153 H\n0.836918 0.195926 0.860104 O\n0.163082 0.804074 0.139896 O\n0.359008 0.163082 0.860104 O\n0.640992 0.836918 0.139896 O\n0.804074 0.640992 0.860104 O\n0.195926 0.359008 0.139896 O\n0.666667 0.333333 0.507789 O\n0.333333 0.666667 0.492211 O\n0.637335 0.832759 0.662738 O\n0.362665 0.167241 0.337262 O\n0.195424 0.362665 0.662738 O\n0.804576 0.637335 0.337262 O\n0.167241 0.804576 0.662738 O\n0.832759 0.195424 0.337262 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Zr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zr",
"density": 2.7897004992950287,
"density_atomic": 0.06942781129309943,
"volume": 316.87589728450257,
"volume_molar": 8.673960258629894,
"formula_full": "Zr2 P4 H2 O14",
"formula_reduced": "ZrP2HO7",
"formula_anonymous": "ABC2D7",
"energy": -171.40256082,
"energy_per_atom": -7.791025491818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.78456082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9676472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.237000Z",
"spacegroup": 147
},
{
"id": "mp-697914",
"created_at": "2022-09-04T14:43:18.431333Z",
"structure_string": "Zr2 P4 H12 O20\n1.0\n6.697223 0.000000 0.000000\n0.000000 5.465758 0.000000\n0.000000 2.050878 12.371625\nZr P H O\n2 4 12 20\ndirect\n0.247207 0.802391 0.873256 Zr\n0.747207 0.197609 0.126744 Zr\n0.246950 0.241402 0.058563 P\n0.746950 0.758598 0.941437 P\n0.324949 0.354171 0.695150 P\n0.824949 0.645829 0.304850 P\n0.640234 0.497970 0.675470 H\n0.140234 0.502030 0.324530 H\n0.280860 0.602358 0.547271 H\n0.780860 0.397642 0.452729 H\n0.308146 0.154388 0.297319 H\n0.808146 0.845612 0.702681 H\n0.345560 0.952088 0.600606 H\n0.845560 0.047912 0.399394 H\n0.160372 0.144299 0.398554 H\n0.660372 0.855701 0.601446 H\n0.905709 0.998887 0.523129 H\n0.405709 0.001113 0.476871 H\n0.249184 0.067174 0.973089 O\n0.749184 0.932826 0.026911 O\n0.431680 0.192655 0.133485 O\n0.931680 0.807345 0.866515 O\n0.059854 0.194868 0.129868 O\n0.559854 0.805132 0.870132 O\n0.248976 0.512566 0.999751 O\n0.748976 0.487434 0.000249 O\n0.255848 0.085929 0.729244 O\n0.755848 0.914071 0.270756 O\n0.257125 0.540004 0.765883 O\n0.757125 0.459996 0.234117 O\n0.560568 0.341260 0.691069 O\n0.060568 0.658740 0.308931 O\n0.234930 0.431353 0.578200 O\n0.734930 0.568647 0.421800 O\n0.286433 0.217023 0.365294 O\n0.786433 0.782977 0.634706 O\n0.916417 0.121146 0.455704 O\n0.416417 0.878854 0.544296 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Zr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zr",
"density": 2.340927585237918,
"density_atomic": 0.08390960756577275,
"volume": 452.86828412602944,
"volume_molar": 7.176938296701639,
"formula_full": "Zr2 P4 H12 O20",
"formula_reduced": "ZrP2(H3O5)2",
"formula_anonymous": "AB2C6D10",
"energy": -262.95020245,
"energy_per_atom": -6.919742169736843,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.21020245,
"band_gap": 4.4371,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006254,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.633000Z",
"spacegroup": 4
},
{
"id": "mp-725603",
"created_at": "2022-09-04T14:41:28.069015Z",
"structure_string": "Zr2 P4 C2 O12\n1.0\n8.292668 0.000000 0.000000\n0.000000 5.143543 0.000000\n0.000000 1.812416 7.473925\nZr P C O\n2 4 2 12\ndirect\n0.199103 0.705763 0.769962 Zr\n0.699103 0.294237 0.230038 Zr\n0.959156 0.251340 0.604647 P\n0.459156 0.748660 0.395353 P\n0.872119 0.893325 0.988991 P\n0.372119 0.106675 0.011009 P\n0.826902 0.077363 0.771407 C\n0.326902 0.922637 0.228593 C\n0.873145 0.090961 0.111871 O\n0.373145 0.909039 0.888129 O\n0.042074 0.782453 0.968814 O\n0.542074 0.217547 0.031186 O\n0.753348 0.664181 0.057782 O\n0.253348 0.335819 0.942218 O\n0.102009 0.059335 0.603421 O\n0.602009 0.940665 0.396579 O\n0.016716 0.504715 0.658895 O\n0.516716 0.495285 0.341105 O\n0.869428 0.323554 0.424590 O\n0.369428 0.676446 0.575410 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zr",
"P",
"C",
"O"
],
"chemical_system": "C-O-P-Zr",
"density": 2.720892187837906,
"density_atomic": 0.0627371241285303,
"volume": 318.790513237836,
"volume_molar": 9.59900671835446,
"formula_full": "Zr2 P4 C2 O12",
"formula_reduced": "ZrP2CO6",
"formula_anonymous": "ABC2D6",
"energy": -163.18279945,
"energy_per_atom": -8.1591399725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.93879945,
"band_gap": 0.2116,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9986475,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.643000Z",
"spacegroup": 4
},
{
"id": "mp-1215423",
"created_at": "2022-09-04T14:41:26.463113Z",
"structure_string": "Zr2 P3 S1\n1.0\n3.603053 0.000000 0.000000\n0.000000 3.603053 0.000000\n0.000000 0.000000 7.882624\nZr P S\n2 3 1\ndirect\n0.500000 0.500000 0.265728 Zr\n0.000000 0.000000 0.734917 Zr\n0.500000 0.000000 0.999535 P\n0.000000 0.500000 0.999535 P\n0.000000 0.000000 0.379603 P\n0.500000 0.500000 0.620682 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 4.988721788319836,
"density_atomic": 0.05863259798965257,
"volume": 102.33215320015113,
"volume_molar": 10.270977180753242,
"formula_full": "Zr2 P3 S1",
"formula_reduced": "Zr2P3S",
"formula_anonymous": "AB2C3",
"energy": -44.45282763,
"energy_per_atom": -7.408804605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.94982763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.606000Z",
"spacegroup": 99
},
{
"id": "mp-1105376",
"created_at": "2022-09-04T14:44:07.488751Z",
"structure_string": "Zr2 P2 C2 N2 O6 F6\n1.0\n5.474281 0.000000 0.000000\n0.344081 6.495546 0.000000\n2.560141 0.007561 10.597731\nZr P C N O F\n2 2 2 2 6 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.411464 0.671745 0.193459 P\n0.588536 0.328255 0.806541 P\n0.323307 0.925792 0.245574 C\n0.676693 0.074208 0.754426 C\n0.261056 0.091659 0.284035 N\n0.738944 0.908341 0.715965 N\n0.667986 0.675445 0.099723 O\n0.332014 0.324555 0.900277 O\n0.432874 0.540440 0.307737 O\n0.567126 0.459560 0.692263 O\n0.210062 0.602468 0.129750 O\n0.789938 0.397532 0.870250 O\n0.810230 0.657927 0.435445 F\n0.189770 0.342073 0.564555 F\n0.700264 0.237023 0.449040 F\n0.299736 0.762977 0.550960 F\n0.105510 0.739775 0.891979 F\n0.894490 0.260225 0.108021 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Zr",
"P",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-N-O-P-Zr",
"density": 2.2315255086119716,
"density_atomic": 0.053073087700463796,
"volume": 376.83882484616066,
"volume_molar": 11.346882235282823,
"formula_full": "Zr2 P2 C2 N2 O6 F6",
"formula_reduced": "ZrPCN(OF)3",
"formula_anonymous": "ABCDE3F3",
"energy": -148.74487743999998,
"energy_per_atom": -7.437243871999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.12887744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0011685,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.585000Z",
"spacegroup": 2
},
{
"id": "mp-1207456",
"created_at": "2022-09-04T14:39:11.536543Z",
"structure_string": "Zr2 P1 S2\n1.0\n2.869381 0.000000 0.000000\n0.000000 2.869381 0.000000\n0.000000 0.000000 14.571119\nZr P S\n2 1 2\ndirect\n0.500000 0.500000 0.178077 Zr\n0.500000 0.500000 0.821923 Zr\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.653226 S\n0.500000 0.500000 0.346774 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"P",
"S"
],
"chemical_system": "P-S-Zr",
"density": 3.8417026280465594,
"density_atomic": 0.04167740428928237,
"volume": 119.96908361411039,
"volume_molar": 14.449414167447644,
"formula_full": "Zr2 P1 S2",
"formula_reduced": "Zr2PS2",
"formula_anonymous": "AB2C2",
"energy": -30.37375467,
"energy_per_atom": -6.074750934,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.36775467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.494000Z",
"spacegroup": 123
},
{
"id": "mp-977549",
"created_at": "2022-09-04T14:41:05.073958Z",
"structure_string": "Zr2 Os1 Ru1\n1.0\n0.000000 3.287405 3.287405\n3.287405 0.000000 3.287405\n3.287405 3.287405 0.000000\nZr Os Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Os",
"Ru"
],
"chemical_system": "Os-Ru-Zr",
"density": 11.071510015502975,
"density_atomic": 0.05629506975197773,
"volume": 71.05417965770393,
"volume_molar": 10.69745678712554,
"formula_full": "Zr2 Os1 Ru1",
"formula_reduced": "Zr2OsRu",
"formula_anonymous": "ABC2",
"energy": -39.96827201,
"energy_per_atom": -9.9920680025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.96827201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.425000Z",
"spacegroup": 225
},
{
"id": "mp-1097342",
"created_at": "2022-09-04T14:45:23.487952Z",
"structure_string": "Zr2 Os1 Rh1\n1.0\n-4.660358 5.576981 7.867393\n4.660358 -5.576981 7.867393\n4.660358 5.576981 -7.867393\nZr Os Rh\n2 1 1\ndirect\n0.000000 0.252241 0.252241 Zr\n0.000000 0.747759 0.747759 Zr\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Zr",
"density": 0.9655318295588736,
"density_atomic": 0.004890471252996167,
"volume": 817.9170867325688,
"volume_molar": 123.14029565781644,
"formula_full": "Zr2 Os1 Rh1",
"formula_reduced": "Zr2OsRh",
"formula_anonymous": "ABC2",
"energy": -23.51470528,
"energy_per_atom": -5.87867632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.51470528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.777000Z",
"spacegroup": 71
},
{
"id": "mp-1097315",
"created_at": "2022-09-04T14:41:34.982841Z",
"structure_string": "Zr2 Os1 Pd1\n1.0\n-4.873959 5.663280 7.888649\n4.873959 -5.663280 7.888649\n4.873959 5.663280 -7.888649\nZr Os Pd\n2 1 1\ndirect\n0.000000 0.262050 0.262050 Zr\n0.000000 0.737950 0.737950 Zr\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Os",
"Pd"
],
"chemical_system": "Os-Pd-Zr",
"density": 0.9133998277518555,
"density_atomic": 0.004592481984714881,
"volume": 870.9887188045955,
"volume_molar": 131.1304166253333,
"formula_full": "Zr2 Os1 Pd1",
"formula_reduced": "Zr2OsPd",
"formula_anonymous": "ABC2",
"energy": -21.62925333,
"energy_per_atom": -5.4073133325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.62925333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.760000Z",
"spacegroup": 71
},
{
"id": "mp-1215343",
"created_at": "2022-09-04T14:45:36.426085Z",
"structure_string": "Zr2 O4 F10\n1.0\n-3.477538 -4.772242 0.000000\n-3.414596 4.715991 0.000000\n0.000000 0.000000 -7.156538\nZr O F\n2 4 10\ndirect\n0.194403 0.807255 0.000000 Zr\n0.805597 0.192745 0.000000 Zr\n0.500000 0.500000 0.582549 O\n0.500000 0.500000 0.417451 O\n0.019731 0.906782 0.500000 O\n0.980269 0.093218 0.500000 O\n0.252369 0.741651 0.720370 F\n0.747631 0.258349 0.720370 F\n0.747631 0.258349 0.279630 F\n0.252369 0.741651 0.279630 F\n0.000000 0.000000 0.836152 F\n0.000000 0.000000 0.163848 F\n0.834512 0.570415 0.000000 F\n0.165488 0.429585 0.000000 F\n0.565383 0.829122 0.000000 F\n0.434617 0.170878 0.000000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"O",
"F"
],
"chemical_system": "F-O-Zr",
"density": 3.097239589657925,
"density_atomic": 0.06838037168955714,
"volume": 233.98527391221353,
"volume_molar": 8.80682659541566,
"formula_full": "Zr2 O4 F10",
"formula_reduced": "ZrO2F5",
"formula_anonymous": "AB2C5",
"energy": -97.30776285,
"energy_per_atom": -6.081735178125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.04376285,
"band_gap": 0.2921999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.002639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.365000Z",
"spacegroup": 10
},
{
"id": "mp-754403",
"created_at": "2022-09-04T14:41:04.757056Z",
"structure_string": "Zr2 O4\n1.0\n-2.031493 2.031493 5.392588\n2.031493 -2.031493 5.392588\n2.031493 2.031493 -5.392588\nZr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Zr\n0.798211 0.798211 0.000000 O\n0.201789 0.201789 0.000000 O\n0.951789 0.451789 0.500000 O\n0.548211 0.048211 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.5970822436696395,
"density_atomic": 0.06740053715605135,
"volume": 89.02006205244773,
"volume_molar": 8.93485573572958,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -59.67959821999999,
"energy_per_atom": -9.946599703333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.93159822,
"band_gap": 3.4821000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.230000Z",
"spacegroup": 141
},
{
"id": "mp-2574",
"created_at": "2022-09-04T14:40:23.226164Z",
"structure_string": "Zr2 O4\n1.0\n3.643811 0.000000 0.000000\n0.000000 3.643811 0.000000\n0.000000 0.000000 5.314560\nZr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.500000 0.000000 0.193955 O\n0.000000 0.500000 0.306045 O\n0.000000 0.500000 0.806045 O\n0.500000 0.000000 0.693955 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 5.799508196799776,
"density_atomic": 0.08503001403629407,
"volume": 70.56331894099148,
"volume_molar": 7.082370652590413,
"formula_full": "Zr2 O4",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -59.55148487,
"energy_per_atom": -9.925247478333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.80348486999999,
"band_gap": 3.8514,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.327000Z",
"spacegroup": 137
}
]
}