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_reduced&page=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=33",
"results": [
{
"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-1523",
"created_at": "2022-09-04T14:41:54.684915Z",
"structure_string": "Zr4 P8\n1.0\n3.526565 0.000000 0.000000\n0.000000 6.515194 0.000000\n0.000000 0.000000 8.822101\nZr P\n4 8\ndirect\n0.250000 0.279633 0.836904 Zr\n0.750000 0.720367 0.163096 Zr\n0.250000 0.779633 0.663096 Zr\n0.750000 0.220367 0.336904 Zr\n0.250000 0.903480 0.356459 P\n0.750000 0.096520 0.643541 P\n0.250000 0.403480 0.143541 P\n0.750000 0.596520 0.856459 P\n0.750000 0.610268 0.460840 P\n0.250000 0.389732 0.539160 P\n0.750000 0.110268 0.039160 P\n0.250000 0.889732 0.960840 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"P"
],
"chemical_system": "P-Zr",
"density": 5.019215606633508,
"density_atomic": 0.05920112715934336,
"volume": 202.69884334636544,
"volume_molar": 10.172341387675017,
"formula_full": "Zr4 P8",
"formula_reduced": "ZrP2",
"formula_anonymous": "AB2",
"energy": -89.02467936,
"energy_per_atom": -7.418723279999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.02467936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.297000Z",
"spacegroup": 62
},
{
"id": "mp-930",
"created_at": "2022-09-04T14:42:24.699971Z",
"structure_string": "Zr1 P1\n1.0\n0.000000 2.650352 2.650352\n2.650352 0.000000 2.650352\n2.650352 2.650352 0.000000\nZr P\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"P"
],
"chemical_system": "P-Zr",
"density": 5.449688528138726,
"density_atomic": 0.05371422665817742,
"volume": 37.23408349016082,
"volume_molar": 11.211444592367029,
"formula_full": "Zr1 P1",
"formula_reduced": "ZrP",
"formula_anonymous": "AB",
"energy": -16.62322252,
"energy_per_atom": -8.31161126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.62322252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.235000Z",
"spacegroup": 225
},
{
"id": "mp-11345",
"created_at": "2022-09-04T14:40:06.606970Z",
"structure_string": "Zr4 P4\n1.0\n1.853702 -3.210706 0.000000\n1.853702 3.210706 0.000000\n0.000000 0.000000 12.634535\nZr P\n4 4\ndirect\n0.333333 0.666667 0.384344 Zr\n0.666667 0.333333 0.884344 Zr\n0.666667 0.333333 0.615656 Zr\n0.333333 0.666667 0.115656 Zr\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.750000 P\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"P"
],
"chemical_system": "P-Zr",
"density": 5.396878292882698,
"density_atomic": 0.05319370866310903,
"volume": 150.39372514269098,
"volume_molar": 11.321152277875452,
"formula_full": "Zr4 P4",
"formula_reduced": "ZrP",
"formula_anonymous": "AB",
"energy": -66.83678601,
"energy_per_atom": -8.35459825125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.83678601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.636000Z",
"spacegroup": 194
},
{
"id": "mp-972296",
"created_at": "2022-09-04T14:43:48.559056Z",
"structure_string": "Zr1 Os1 O3\n1.0\n3.926308 0.000000 0.000000\n0.000000 3.926308 0.000000\n0.000000 0.000000 3.926308\nZr Os O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Os\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": [
"Zr",
"Os",
"O"
],
"chemical_system": "O-Os-Zr",
"density": 9.038334595947893,
"density_atomic": 0.08260701126231032,
"volume": 60.52754994516142,
"volume_molar": 7.2901085125538465,
"formula_full": "Zr1 Os1 O3",
"formula_reduced": "ZrOsO3",
"formula_anonymous": "ABC3",
"energy": -40.77675765000001,
"energy_per_atom": -8.15535153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.71575765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.291000Z",
"spacegroup": 221
},
{
"id": "mp-1017542",
"created_at": "2022-09-04T14:47:24.643836Z",
"structure_string": "Zr1 Os3\n1.0\n3.996587 0.000000 0.000000\n0.000000 3.996587 0.000000\n0.000000 0.000000 3.996587\nZr Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 17.218005815894355,
"density_atomic": 0.06266025777708116,
"volume": 63.83631574307143,
"volume_molar": 9.610781975114504,
"formula_full": "Zr1 Os3",
"formula_reduced": "ZrOs3",
"formula_anonymous": "AB3",
"energy": -42.25491518,
"energy_per_atom": -10.563728795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.25491518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.339000Z",
"spacegroup": 221
},
{
"id": "mp-570684",
"created_at": "2022-09-04T14:40:27.690344Z",
"structure_string": "Zr4 Os8\n1.0\n2.621491 -4.540556 0.000000\n2.621491 4.540556 0.000000\n0.000000 0.000000 8.611421\nZr Os\n4 8\ndirect\n0.333333 0.666667 0.433280 Zr\n0.666667 0.333333 0.566720 Zr\n0.666667 0.333333 0.933280 Zr\n0.333333 0.666667 0.066720 Zr\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.827422 0.172578 0.250000 Os\n0.827422 0.654844 0.250000 Os\n0.345156 0.172578 0.250000 Os\n0.172578 0.827422 0.750000 Os\n0.172578 0.345156 0.750000 Os\n0.654844 0.827422 0.750000 Os\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 15.282626832967399,
"density_atomic": 0.058535458062487424,
"volume": 205.00394798636123,
"volume_molar": 10.288021926079882,
"formula_full": "Zr4 Os8",
"formula_reduced": "ZrOs2",
"formula_anonymous": "AB2",
"energy": -128.66333862,
"energy_per_atom": -10.721944885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.66333862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0213622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.319000Z",
"spacegroup": 194
},
{
"id": "mp-11541",
"created_at": "2022-09-04T14:42:19.549961Z",
"structure_string": "Zr1 Os1\n1.0\n3.290436 0.000000 0.000000\n0.000000 3.290436 0.000000\n0.000000 0.000000 3.290436\nZr Os\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 13.118862448190253,
"density_atomic": 0.05613964363724223,
"volume": 35.6254487991304,
"volume_molar": 10.727073365326813,
"formula_full": "Zr1 Os1",
"formula_reduced": "ZrOs",
"formula_anonymous": "AB",
"energy": -20.8295383,
"energy_per_atom": -10.41476915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.8295383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.423000Z",
"spacegroup": 221
},
{
"id": "mp-728474",
"created_at": "2022-09-04T14:46:42.406098Z",
"structure_string": "Zr4 O4 F16\n1.0\n-4.090421 4.090421 5.657457\n4.090421 -4.090421 5.657457\n4.090421 4.090421 -5.657457\nZr O F\n4 4 16\ndirect\n0.875000 0.266787 0.891787 Zr\n0.375000 0.983213 0.108213 Zr\n0.016787 0.125000 0.391787 Zr\n0.733213 0.625000 0.608213 Zr\n0.150636 0.150636 0.000000 O\n0.599364 0.099364 0.500000 O\n0.849364 0.849364 0.000000 O\n0.900636 0.400636 0.500000 O\n0.114737 0.501090 0.164017 F\n0.635263 0.299280 0.886353 F\n0.337073 0.950720 0.835983 F\n0.412927 0.748910 0.113647 F\n0.049280 0.885263 0.386353 F\n0.700720 0.587073 0.335983 F\n0.498910 0.662927 0.613647 F\n0.251090 0.364737 0.664017 F\n0.814594 0.475053 0.783427 F\n0.935406 0.218833 0.160459 F\n0.691626 0.031167 0.216573 F\n0.058374 0.774947 0.839541 F\n0.968833 0.185406 0.660459 F\n0.781167 0.941626 0.716573 F\n0.524947 0.308374 0.339541 F\n0.225053 0.064594 0.283427 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zr",
"O",
"F"
],
"chemical_system": "F-O-Zr",
"density": 3.214086902457193,
"density_atomic": 0.06338609101531596,
"volume": 378.6319619268032,
"volume_molar": 9.500729045659043,
"formula_full": "Zr4 O4 F16",
"formula_reduced": "ZrOF4",
"formula_anonymous": "ABC4",
"energy": -154.40965283999998,
"energy_per_atom": -6.433735534999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.26965284,
"band_gap": 0.7603999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9985496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.879000Z",
"spacegroup": 122
},
{
"id": "mp-1199395",
"created_at": "2022-09-04T14:41:26.801358Z",
"structure_string": "Zr4 O12 F20\n1.0\n0.000000 5.076389 16.193433\n3.352149 0.000000 16.193433\n3.352149 5.076389 0.000000\nZr O F\n4 12 20\ndirect\n0.813494 0.183635 0.815720 Zr\n0.187150 0.815720 0.183635 Zr\n0.066365 0.436506 0.062850 Zr\n0.434280 0.062850 0.436506 Zr\n0.308303 0.541731 0.723592 O\n0.426374 0.723592 0.541731 O\n0.050759 0.738502 0.100219 O\n0.110519 0.100219 0.738502 O\n0.156867 0.633325 0.864979 O\n0.344829 0.864979 0.633325 O\n0.708269 0.941697 0.823626 O\n0.526408 0.823626 0.941697 O\n0.511498 0.199241 0.139481 O\n0.149781 0.139481 0.199241 O\n0.616675 0.093133 0.905171 O\n0.385021 0.905171 0.093133 O\n0.162736 0.823771 0.556116 F\n0.457376 0.556116 0.823771 F\n0.699825 0.179971 0.813456 F\n0.306749 0.813456 0.179971 F\n0.861754 0.265382 0.672008 F\n0.200857 0.672008 0.265382 F\n0.965264 0.963116 0.037369 F\n0.034251 0.037369 0.963116 F\n0.837458 0.168607 0.441096 F\n0.552840 0.441096 0.168607 F\n0.426229 0.087264 0.792624 F\n0.693884 0.792624 0.087264 F\n0.984618 0.388246 0.049143 F\n0.577992 0.049143 0.388246 F\n0.286884 0.284736 0.215749 F\n0.212631 0.215749 0.284736 F\n0.070029 0.550175 0.943251 F\n0.436544 0.943251 0.550175 F\n0.081393 0.412542 0.697160 F\n0.808904 0.697160 0.412542 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Zr",
"O",
"F"
],
"chemical_system": "F-O-Zr",
"density": 2.82276814236999,
"density_atomic": 0.06532138246836092,
"volume": 551.1212200298573,
"volume_molar": 9.219248785674257,
"formula_full": "Zr4 O12 F20",
"formula_reduced": "ZrO3F5",
"formula_anonymous": "AB3C5",
"energy": -207.26691222,
"energy_per_atom": -5.757414228333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.02691222000004,
"band_gap": 0.8127,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.999559,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.825000Z",
"spacegroup": 43
},
{
"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-776427",
"created_at": "2022-09-04T14:39:27.970262Z",
"structure_string": "Zr8 O16\n1.0\n5.665348 0.000000 0.000000\n0.000000 5.865006 0.000000\n0.000000 0.000000 10.050582\nZr O\n8 16\ndirect\n0.142638 0.901337 0.130018 Zr\n0.642638 0.598663 0.130018 Zr\n0.142638 0.401337 0.369982 Zr\n0.642638 0.098663 0.369982 Zr\n0.357362 0.901337 0.630018 Zr\n0.857362 0.598663 0.630018 Zr\n0.357362 0.401337 0.869982 Zr\n0.857362 0.098663 0.869982 Zr\n0.825635 0.849715 0.014969 O\n0.325635 0.650285 0.014969 O\n0.470648 0.881426 0.231091 O\n0.970648 0.618574 0.231091 O\n0.470648 0.381426 0.268909 O\n0.970648 0.118574 0.268909 O\n0.325635 0.150285 0.485031 O\n0.825635 0.349715 0.485031 O\n0.674365 0.849715 0.514969 O\n0.174365 0.650285 0.514969 O\n0.029352 0.881426 0.731091 O\n0.529352 0.618574 0.731091 O\n0.029352 0.381426 0.768909 O\n0.529352 0.118574 0.768909 O\n0.674365 0.349715 0.985031 O\n0.174365 0.150285 0.985031 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"O"
],
"chemical_system": "O-Zr",
"density": 4.901668014612719,
"density_atomic": 0.07186624898879551,
"volume": 333.95370341009146,
"volume_molar": 8.37965087191193,
"formula_full": "Zr8 O16",
"formula_reduced": "ZrO2",
"formula_anonymous": "AB2",
"energy": -238.10379829,
"energy_per_atom": -9.920991595416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.11179829,
"band_gap": 3.3334,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.586000Z",
"spacegroup": 61
}
]
}