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=12125",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12123",
"results": [
{
"id": "mp-554222",
"created_at": "2022-09-04T14:41:09.454598Z",
"structure_string": "Zr1 Co1 F6\n1.0\n0.000000 4.083750 4.083750\n4.083750 0.000000 4.083750\n4.083750 4.083750 0.000000\nZr Co F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.250064 0.250064 0.749936 F\n0.749936 0.749936 0.250064 F\n0.250064 0.749936 0.749936 F\n0.250064 0.749936 0.250064 F\n0.749936 0.250064 0.250064 F\n0.749936 0.250064 0.749936 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Zr",
"density": 3.2202408271133804,
"density_atomic": 0.058733049268411115,
"volume": 136.20951235546877,
"volume_molar": 10.253410703194902,
"formula_full": "Zr1 Co1 F6",
"formula_reduced": "ZrCoF6",
"formula_anonymous": "ABC6",
"energy": -53.26817469,
"energy_per_atom": -6.65852183625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.85817469,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0005691,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.932000Z",
"spacegroup": 225
},
{
"id": "mp-556360",
"created_at": "2022-09-04T14:40:20.818675Z",
"structure_string": "Zr1 Co1 F6\n1.0\n4.981892 -2.833425 0.000000\n4.981892 2.833425 0.000000\n3.370396 0.000000 4.635512\nZr Co F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Co\n0.250659 0.690100 0.809769 F\n0.809769 0.250659 0.690100 F\n0.309900 0.190231 0.749341 F\n0.190231 0.749341 0.309900 F\n0.749341 0.309900 0.190231 F\n0.690100 0.809769 0.250659 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Co",
"F"
],
"chemical_system": "Co-F-Zr",
"density": 3.3516761935996953,
"density_atomic": 0.061130261237918454,
"volume": 130.86808133968327,
"volume_molar": 9.851325085233777,
"formula_full": "Zr1 Co1 F6",
"formula_reduced": "ZrCoF6",
"formula_anonymous": "ABC6",
"energy": -54.39929124,
"energy_per_atom": -6.799911405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.98929124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.000013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.546000Z",
"spacegroup": 148
},
{
"id": "mp-1103148",
"created_at": "2022-09-04T14:40:39.114984Z",
"structure_string": "Zr4 Co4 Ge4\n1.0\n3.939744 0.000000 0.000000\n0.000000 6.568966 0.000000\n0.000000 0.000000 7.259125\nZr Co Ge\n4 4 4\ndirect\n0.250000 0.009363 0.800992 Zr\n0.250000 0.509363 0.699008 Zr\n0.750000 0.990637 0.199008 Zr\n0.750000 0.490637 0.300992 Zr\n0.250000 0.141198 0.431214 Co\n0.250000 0.641198 0.068786 Co\n0.750000 0.858802 0.568786 Co\n0.750000 0.358802 0.931214 Co\n0.250000 0.774067 0.394791 Ge\n0.250000 0.274067 0.105209 Ge\n0.750000 0.225933 0.605209 Ge\n0.750000 0.725933 0.894791 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Zr",
"density": 7.877157260880145,
"density_atomic": 0.06387515313655938,
"volume": 187.86647719411442,
"volume_molar": 9.427986414569057,
"formula_full": "Zr4 Co4 Ge4",
"formula_reduced": "ZrCoGe",
"formula_anonymous": "ABC",
"energy": -89.58374766,
"energy_per_atom": -7.465312305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.58374766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002558,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.311000Z",
"spacegroup": 62
},
{
"id": "mp-10359",
"created_at": "2022-09-04T14:44:50.082431Z",
"structure_string": "Zr1 Co6 Ge6\n1.0\n2.537057 -4.394311 0.000000\n2.537057 4.394311 0.000000\n0.000000 0.000000 7.776710\nZr Co Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.749980 Co\n0.500000 0.000000 0.250020 Co\n0.500000 0.500000 0.250020 Co\n0.000000 0.500000 0.250020 Co\n0.500000 0.000000 0.749980 Co\n0.500000 0.500000 0.749980 Co\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.340107 Ge\n0.000000 0.000000 0.659893 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Zr",
"density": 8.433580936765068,
"density_atomic": 0.07497154103592657,
"volume": 173.39913012819576,
"volume_molar": 8.032568994565782,
"formula_full": "Zr1 Co6 Ge6",
"formula_reduced": "Zr(CoGe)6",
"formula_anonymous": "AB6C6",
"energy": -83.29004092,
"energy_per_atom": -6.406926224615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.29004092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.462000Z",
"spacegroup": 191
},
{
"id": "mp-1188065",
"created_at": "2022-09-04T14:40:19.877772Z",
"structure_string": "Zr2 Co2 H6\n1.0\n1.770976 -5.195146 0.000000\n1.770976 5.195146 0.000000\n0.000000 0.000000 4.313287\nZr Co H\n2 2 6\ndirect\n0.633160 0.366840 0.250000 Zr\n0.366840 0.633160 0.750000 Zr\n0.073012 0.926988 0.750000 Co\n0.926988 0.073012 0.250000 Co\n0.574283 0.425717 0.750000 H\n0.186196 0.813804 0.494833 H\n0.186196 0.813804 0.005167 H\n0.813804 0.186196 0.994833 H\n0.813804 0.186196 0.505167 H\n0.425717 0.574283 0.250000 H\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Co",
"H"
],
"chemical_system": "Co-H-Zr",
"density": 6.409663808670987,
"density_atomic": 0.12599439197290113,
"volume": 79.36861191528905,
"volume_molar": 4.779689528796839,
"formula_full": "Zr2 Co2 H6",
"formula_reduced": "ZrCoH3",
"formula_anonymous": "ABC3",
"energy": -56.67087547,
"energy_per_atom": -5.6670875469999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.59687547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1795597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.860000Z",
"spacegroup": 63
},
{
"id": "mp-1247441",
"created_at": "2022-09-04T14:43:11.458295Z",
"structure_string": "Zr1 Co2 N2\n1.0\n3.130589 -0.000001 -0.000007\n-1.565295 2.711168 0.000000\n0.000015 0.000008 6.146811\nZr Co N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.348254 Co\n0.333333 0.666667 0.651746 Co\n0.666667 0.333333 0.771682 N\n0.333333 0.666667 0.228318 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Co",
"N"
],
"chemical_system": "Co-N-Zr",
"density": 7.546669468127396,
"density_atomic": 0.09583799951481808,
"volume": 52.17137278858706,
"volume_molar": 6.2836670115061,
"formula_full": "Zr1 Co2 N2",
"formula_reduced": "Zr(CoN)2",
"formula_anonymous": "AB2C2",
"energy": -42.36082704,
"energy_per_atom": -8.472165407999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.63882704000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4256028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.529000Z",
"spacegroup": 164
},
{
"id": "mp-1246862",
"created_at": "2022-09-04T14:43:06.602214Z",
"structure_string": "Zr4 Co4 N8\n1.0\n5.904966 0.000000 0.000000\n0.000000 7.173298 0.000000\n0.000000 0.000000 4.418912\nZr Co N\n4 4 8\ndirect\n0.626940 0.378576 0.937500 Zr\n0.373060 0.621424 0.437500 Zr\n0.873060 0.878576 0.437500 Zr\n0.126940 0.121424 0.937500 Zr\n0.558173 0.845757 0.937498 Co\n0.441827 0.154243 0.437498 Co\n0.941827 0.345757 0.437498 Co\n0.058173 0.654243 0.937498 Co\n0.608258 0.386923 0.437500 N\n0.391742 0.613077 0.937500 N\n0.891742 0.886923 0.937500 N\n0.108258 0.113077 0.437500 N\n0.516561 0.889527 0.437503 N\n0.483439 0.110473 0.937503 N\n0.983439 0.389527 0.937503 N\n0.016561 0.610473 0.437503 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Co",
"N"
],
"chemical_system": "Co-N-Zr",
"density": 6.322567749854353,
"density_atomic": 0.08548075616499441,
"volume": 187.17663153466847,
"volume_molar": 7.045025138027677,
"formula_full": "Zr4 Co4 N8",
"formula_reduced": "ZrCoN2",
"formula_anonymous": "ABC2",
"energy": -142.27014398,
"energy_per_atom": -8.89188399875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.38214398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.904341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.882000Z",
"spacegroup": 62
},
{
"id": "mp-1246090",
"created_at": "2022-09-04T14:43:09.458485Z",
"structure_string": "Zr2 Co8 N8\n1.0\n5.174303 -0.186633 0.284810\n1.719670 4.530489 0.012871\n1.807987 1.805672 7.749766\nZr Co N\n2 8 8\ndirect\n0.654783 0.884840 0.797461 Zr\n0.345217 0.115160 0.202539 Zr\n0.822943 0.604509 0.238217 Co\n0.177057 0.395491 0.761783 Co\n0.871174 0.211187 0.064162 Co\n0.128826 0.788813 0.935838 Co\n0.736402 0.464418 0.589250 Co\n0.263598 0.535582 0.410750 Co\n0.236418 0.961870 0.596387 Co\n0.763582 0.038130 0.403613 Co\n0.973923 0.713889 0.581689 N\n0.026077 0.286111 0.418311 N\n0.761827 0.895618 0.038290 N\n0.238173 0.104382 0.961710 N\n0.401703 0.629969 0.767916 N\n0.598297 0.370031 0.232084 N\n0.539998 0.778370 0.416036 N\n0.460002 0.221630 0.583964 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Co",
"N"
],
"chemical_system": "Co-N-Zr",
"density": 6.96616686165893,
"density_atomic": 0.09858415776402081,
"volume": 182.58511720601487,
"volume_molar": 6.1086293138651095,
"formula_full": "Zr2 Co8 N8",
"formula_reduced": "Zr(CoN)4",
"formula_anonymous": "AB4C4",
"energy": -145.69854961,
"energy_per_atom": -8.09436386722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.81054961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0375032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.159000Z",
"spacegroup": 2
},
{
"id": "mp-1215275",
"created_at": "2022-09-04T14:43:11.362881Z",
"structure_string": "Zr2 Co2 Ni2\n1.0\n-2.430004 2.468204 3.468329\n2.430004 -2.468204 3.468329\n2.430004 2.468204 -3.468329\nZr Co Ni\n2 2 2\ndirect\n0.122849 0.872849 0.250000 Zr\n0.877151 0.127151 0.750000 Zr\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Ni"
],
"chemical_system": "Co-Ni-Zr",
"density": 8.335784742266263,
"density_atomic": 0.07210791390898678,
"volume": 83.2086198967437,
"volume_molar": 8.351567024392121,
"formula_full": "Zr2 Co2 Ni2",
"formula_reduced": "ZrCoNi",
"formula_anonymous": "ABC",
"energy": -45.01998502,
"energy_per_atom": -7.503330836666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.01998502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.415000Z",
"spacegroup": 74
},
{
"id": "mp-756665",
"created_at": "2022-09-04T14:46:08.614964Z",
"structure_string": "Zr4 Co4 O12\n1.0\n5.033712 -0.000011 -0.001248\n-0.000056 5.414142 0.000156\n0.008860 0.000107 8.396203\nZr Co O\n4 4 12\ndirect\n0.043255 0.930863 0.750055 Zr\n0.456728 0.430865 0.749962 Zr\n0.543272 0.569135 0.250038 Zr\n0.956745 0.069137 0.249945 Zr\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.499999 0.000000 0.500000 Co\n0.168561 0.414243 0.249338 O\n0.331447 0.914240 0.250639 O\n0.668554 0.085761 0.749362 O\n0.831439 0.585757 0.750662 O\n0.195237 0.199608 0.590696 O\n0.196259 0.199337 0.909135 O\n0.304791 0.699579 0.909319 O\n0.303706 0.699371 0.590884 O\n0.696294 0.300628 0.409116 O\n0.695209 0.300422 0.090681 O\n0.803742 0.800664 0.090866 O\n0.804763 0.800391 0.409304 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Co",
"O"
],
"chemical_system": "Co-O-Zr",
"density": 5.75193460615361,
"density_atomic": 0.08740352452312157,
"volume": 228.8237243191404,
"volume_molar": 6.890043385386494,
"formula_full": "Zr4 Co4 O12",
"formula_reduced": "ZrCoO3",
"formula_anonymous": "ABC3",
"energy": -176.46786755,
"energy_per_atom": -8.8233933775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.67186755,
"band_gap": 1.4273999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.087000Z",
"spacegroup": 62
},
{
"id": "mp-761293",
"created_at": "2022-09-04T14:43:02.896402Z",
"structure_string": "Zr4 Co4 O12\n1.0\n2.478711 -4.819877 0.022211\n3.218834 1.641373 4.413203\n-5.647246 -2.936024 4.535839\nZr Co O\n4 4 12\ndirect\n0.999398 0.283607 0.858189 Zr\n0.499389 0.783611 0.358171 Zr\n0.000611 0.716386 0.141827 Zr\n0.500603 0.216392 0.641809 Zr\n0.999571 0.706780 0.649317 Co\n0.500444 0.793231 0.850684 Co\n0.499608 0.206899 0.149302 Co\n0.000394 0.293100 0.350701 Co\n0.146869 0.351866 0.098483 O\n0.646974 0.851884 0.598450 O\n0.698248 0.504240 0.250654 O\n0.198263 0.004267 0.750643 O\n0.653955 0.150545 0.898343 O\n0.153969 0.650557 0.398353 O\n0.346032 0.849445 0.101647 O\n0.846041 0.349457 0.601655 O\n0.301730 0.495724 0.749359 O\n0.801749 0.995757 0.249344 O\n0.853023 0.648118 0.901550 O\n0.353128 0.148134 0.401517 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Co",
"O"
],
"chemical_system": "Co-O-Zr",
"density": 5.459938235577097,
"density_atomic": 0.08296649356156596,
"volume": 241.06116989455313,
"volume_molar": 7.258521484376367,
"formula_full": "Zr4 Co4 O12",
"formula_reduced": "ZrCoO3",
"formula_anonymous": "ABC3",
"energy": -176.09676545,
"energy_per_atom": -8.8048382725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.30076545000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.471000Z",
"spacegroup": 148
},
{
"id": "mp-8418",
"created_at": "2022-09-04T14:41:10.840056Z",
"structure_string": "Zr4 Co4 P4\n1.0\n3.701242 0.000000 0.000000\n0.000000 6.349646 0.000000\n0.000000 0.000000 7.175781\nZr Co P\n4 4 4\ndirect\n0.250000 0.519140 0.683084 Zr\n0.250000 0.019140 0.816916 Zr\n0.750000 0.980860 0.183084 Zr\n0.750000 0.480860 0.316916 Zr\n0.750000 0.361810 0.939403 Co\n0.250000 0.138190 0.439403 Co\n0.750000 0.861810 0.560597 Co\n0.250000 0.638190 0.060597 Co\n0.250000 0.775538 0.387122 P\n0.250000 0.275538 0.112878 P\n0.750000 0.224462 0.612878 P\n0.750000 0.724462 0.887122 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"P"
],
"chemical_system": "Co-P-Zr",
"density": 7.134040974427077,
"density_atomic": 0.07115658139616782,
"volume": 168.64216583409763,
"volume_molar": 8.463223839368322,
"formula_full": "Zr4 Co4 P4",
"formula_reduced": "ZrCoP",
"formula_anonymous": "ABC",
"energy": -98.08846595999998,
"energy_per_atom": -8.174038829999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.08846595999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.699000Z",
"spacegroup": 62
}
]
}