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=chemical_system&page=11494",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=11492",
"results": [
{
"id": "mp-768450",
"created_at": "2022-09-04T14:39:17.827917Z",
"structure_string": "Tm6 Sb10 O24\n1.0\n-5.402606 5.402606 5.402606\n5.402606 -5.402606 5.402606\n5.402606 5.402606 -5.402606\nTm Sb O\n6 10 24\ndirect\n0.750000 0.250000 0.500000 Tm\n0.750000 0.500000 0.250000 Tm\n0.500000 0.250000 0.750000 Tm\n0.500000 0.750000 0.250000 Tm\n0.250000 0.750000 0.500000 Tm\n0.250000 0.500000 0.750000 Tm\n0.518034 0.000000 0.000000 Sb\n0.283901 0.000000 0.283901 Sb\n0.283901 0.283901 0.000000 Sb\n0.716099 0.000000 0.716099 Sb\n0.716099 0.716099 0.000000 Sb\n0.000000 0.518034 0.000000 Sb\n0.000000 0.000000 0.518034 Sb\n0.481966 0.481966 0.481966 Sb\n0.000000 0.283901 0.283901 Sb\n0.000000 0.716099 0.716099 Sb\n0.481520 0.000000 0.202847 O\n0.481520 0.202847 0.000000 O\n0.702828 0.499422 0.000000 O\n0.702828 0.000000 0.499422 O\n0.796593 0.297172 0.297172 O\n0.500578 0.500578 0.203407 O\n0.500578 0.203407 0.500578 O\n0.499422 0.702828 0.000000 O\n0.499422 0.000000 0.702828 O\n0.721326 0.518480 0.518480 O\n0.797153 0.278674 0.797153 O\n0.797153 0.797153 0.278674 O\n0.202847 0.481520 0.000000 O\n0.202847 0.000000 0.481520 O\n0.518480 0.721326 0.518480 O\n0.518480 0.518480 0.721326 O\n0.000000 0.481520 0.202847 O\n0.000000 0.202847 0.481520 O\n0.297172 0.796593 0.297172 O\n0.297172 0.297172 0.796593 O\n0.203407 0.500578 0.500578 O\n0.000000 0.702828 0.499422 O\n0.000000 0.499422 0.702828 O\n0.278674 0.797153 0.797153 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 6.884661723896084,
"density_atomic": 0.06341472453848251,
"volume": 630.7683316628845,
"volume_molar": 9.496439200560639,
"formula_full": "Tm6 Sb10 O24",
"formula_reduced": "Tm3Sb5O12",
"formula_anonymous": "A3B5C12",
"energy": -294.21369745,
"energy_per_atom": -7.35534243625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.72569745,
"band_gap": 2.8661,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019511,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.245000Z",
"spacegroup": 217
},
{
"id": "mp-753830",
"created_at": "2022-09-04T14:43:06.552830Z",
"structure_string": "Tm4 Sb4 O14\n1.0\n-3.769080 3.832136 5.276851\n3.769080 -3.832136 5.276851\n3.769080 3.832136 -5.276851\nTm Sb O\n4 4 14\ndirect\n0.741828 0.000000 0.741828 Tm\n0.738517 0.541322 0.779839 Tm\n0.241828 0.500000 0.741828 Tm\n0.238517 0.458678 0.197195 Tm\n0.264808 0.000000 0.264808 Sb\n0.733301 0.993165 0.226465 Sb\n0.764808 0.500000 0.264808 Sb\n0.233301 0.006835 0.740136 Sb\n0.102675 0.085416 0.933770 O\n0.348354 0.331095 0.933770 O\n0.364656 0.370507 0.498893 O\n0.605825 0.046529 0.422449 O\n0.983121 0.002519 0.485641 O\n0.875920 0.316624 0.422449 O\n0.628386 0.634237 0.498893 O\n0.864656 0.365763 0.994149 O\n0.105825 0.683376 0.559295 O\n0.483121 0.997481 0.980602 O\n0.375920 0.953471 0.559295 O\n0.128386 0.629493 0.994149 O\n0.602675 0.668905 0.017259 O\n0.848354 0.914584 0.017259 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 7.553390802504923,
"density_atomic": 0.07216250307522559,
"volume": 304.86747358342274,
"volume_molar": 8.34524926847706,
"formula_full": "Tm4 Sb4 O14",
"formula_reduced": "Tm2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -165.1618988,
"energy_per_atom": -7.507359036363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.5438988,
"band_gap": 1.4172000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.683000Z",
"spacegroup": 46
},
{
"id": "mp-1207835",
"created_at": "2022-09-04T14:46:56.933169Z",
"structure_string": "Tm6 Sb2 O14\n1.0\n3.712869 -5.219939 0.000000\n3.712869 5.219939 0.000000\n0.000000 0.000000 7.423681\nTm Sb O\n6 2 14\ndirect\n0.999415 0.468286 0.747229 Tm\n0.000585 0.531714 0.247229 Tm\n0.531714 0.000585 0.752771 Tm\n0.468286 0.999415 0.252771 Tm\n0.514827 0.514827 0.500000 Tm\n0.485173 0.485173 0.000000 Tm\n0.999988 0.999988 0.500000 Sb\n0.000012 0.000012 0.000000 Sb\n0.638563 0.361437 0.750000 O\n0.361437 0.638563 0.250000 O\n0.926023 0.073977 0.750000 O\n0.073977 0.926023 0.250000 O\n0.920973 0.672562 0.527889 O\n0.079027 0.327438 0.027889 O\n0.327438 0.079027 0.972111 O\n0.672562 0.920973 0.472111 O\n0.369898 0.630102 0.750000 O\n0.630102 0.369898 0.250000 O\n0.934624 0.678659 0.965940 O\n0.065376 0.321341 0.465940 O\n0.321341 0.065376 0.534060 O\n0.678659 0.934624 0.034060 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 8.54700723231376,
"density_atomic": 0.07645366850022994,
"volume": 287.75597602532093,
"volume_molar": 7.876849964343945,
"formula_full": "Tm6 Sb2 O14",
"formula_reduced": "Tm3SbO7",
"formula_anonymous": "AB3C7",
"energy": -180.60473865,
"energy_per_atom": -8.209306302272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.98673865,
"band_gap": 3.0829,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.790000Z",
"spacegroup": 20
},
{
"id": "mp-777990",
"created_at": "2022-09-04T14:46:42.830830Z",
"structure_string": "Tm12 Sb12 O42\n1.0\n3.752934 -6.500272 0.000000\n3.752934 6.500272 0.000000\n0.000000 0.000000 18.320473\nTm Sb O\n12 12 42\ndirect\n0.000000 0.840438 0.666667 Tm\n0.000000 0.832769 0.166667 Tm\n0.177776 0.682258 0.011387 Tm\n0.159562 0.159562 0.000000 Tm\n0.504482 0.822224 0.678054 Tm\n0.167231 0.167231 0.500000 Tm\n0.317742 0.495518 0.344720 Tm\n0.495518 0.317742 0.655280 Tm\n0.682258 0.177776 0.988613 Tm\n0.822224 0.504482 0.321946 Tm\n0.832769 0.000000 0.833333 Tm\n0.840438 0.000000 0.333333 Tm\n0.000000 0.323554 0.166667 Sb\n0.000000 0.310296 0.666667 Sb\n0.169555 0.670140 0.501488 Sb\n0.500585 0.830445 0.168155 Sb\n0.329860 0.499415 0.834821 Sb\n0.310296 0.000000 0.333333 Sb\n0.676446 0.676446 0.500000 Sb\n0.323554 0.000000 0.833333 Sb\n0.689704 0.689704 0.000000 Sb\n0.499415 0.329860 0.165179 Sb\n0.670140 0.169555 0.498512 Sb\n0.830445 0.500585 0.831845 Sb\n0.022625 0.853103 0.284220 O\n0.981195 0.802995 0.802703 O\n0.103658 0.655635 0.394122 O\n0.064275 0.464058 0.802266 O\n0.325835 0.992734 0.956944 O\n0.240211 0.691929 0.606856 O\n0.007266 0.333101 0.290278 O\n0.200432 0.688923 0.139220 O\n0.399783 0.935725 0.468932 O\n0.451718 0.759789 0.273523 O\n0.488491 0.799568 0.805887 O\n0.344365 0.448023 0.727455 O\n0.146897 0.169522 0.617553 O\n0.311077 0.511509 0.472553 O\n0.197005 0.178200 0.136036 O\n0.169522 0.146897 0.382447 O\n0.308071 0.548282 0.940190 O\n0.178200 0.197005 0.863964 O\n0.551977 0.896342 0.060789 O\n0.535942 0.600217 0.135599 O\n0.821800 0.018805 0.469370 O\n0.666899 0.674165 0.623611 O\n0.448023 0.344365 0.272545 O\n0.600217 0.535942 0.864401 O\n0.333101 0.007266 0.709722 O\n0.830478 0.977375 0.950887 O\n0.548282 0.308071 0.059810 O\n0.674165 0.666899 0.376389 O\n0.511509 0.311077 0.527447 O\n0.464058 0.064275 0.197734 O\n0.691929 0.240211 0.393144 O\n0.688923 0.200432 0.860780 O\n0.896342 0.551977 0.939211 O\n0.977375 0.830478 0.049113 O\n0.799568 0.488491 0.194113 O\n0.018805 0.821800 0.530630 O\n0.759789 0.451718 0.726477 O\n0.655635 0.103658 0.605878 O\n0.935725 0.399783 0.531068 O\n0.802995 0.981195 0.197297 O\n0.992734 0.325835 0.043056 O\n0.853103 0.022625 0.715780 O\n",
"nsites": 66,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 7.728677172124964,
"density_atomic": 0.07383712888467749,
"volume": 893.8592412373197,
"volume_molar": 8.155979045996872,
"formula_full": "Tm12 Sb12 O42",
"formula_reduced": "Tm2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -498.51927845,
"energy_per_atom": -7.553322400757576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -469.66527845,
"band_gap": 2.1013,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.594000Z",
"spacegroup": 152
},
{
"id": "mp-1238251",
"created_at": "2022-09-04T14:45:31.198473Z",
"structure_string": "Tm4 Sb4 O16\n1.0\n5.330160 0.000000 0.000000\n0.000000 7.511774 0.000000\n0.000000 1.139342 7.538464\nTm Sb O\n4 4 16\ndirect\n0.726688 0.616627 0.146572 Tm\n0.273312 0.383373 0.853428 Tm\n0.773312 0.116627 0.146572 Tm\n0.226688 0.883373 0.853428 Tm\n0.765481 0.192474 0.663119 Sb\n0.234519 0.807526 0.336881 Sb\n0.265481 0.307526 0.336881 Sb\n0.734519 0.692474 0.663119 Sb\n0.906310 0.690834 0.429316 O\n0.093690 0.309166 0.570684 O\n0.388161 0.562640 0.325863 O\n0.611839 0.437360 0.674137 O\n0.111839 0.062640 0.325863 O\n0.888161 0.937360 0.674137 O\n0.593690 0.190834 0.429316 O\n0.406310 0.809166 0.570684 O\n0.968374 0.180502 0.889215 O\n0.031626 0.819498 0.110785 O\n0.468374 0.319498 0.110785 O\n0.531626 0.680502 0.889215 O\n0.522437 0.883473 0.181896 O\n0.477563 0.116527 0.818104 O\n0.977563 0.383473 0.181896 O\n0.022437 0.616527 0.818104 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 7.805390312936791,
"density_atomic": 0.07951436910960497,
"volume": 301.8322382325349,
"volume_molar": 7.573650935592411,
"formula_full": "Tm4 Sb4 O16",
"formula_reduced": "TmSbO4",
"formula_anonymous": "ABC4",
"energy": -182.92668643,
"energy_per_atom": -7.621945267916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.93468643,
"band_gap": 2.3181000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.086000Z",
"spacegroup": 14
},
{
"id": "mp-1207831",
"created_at": "2022-09-04T14:40:26.572822Z",
"structure_string": "Tm4 Sb4 O16\n1.0\n5.340409 -0.240068 0.053241\n0.125714 7.530768 1.208147\n-0.198226 -0.031934 7.522275\nTm Sb O\n4 4 16\ndirect\n0.258833 0.142677 0.625449 Tm\n0.741167 0.857323 0.374551 Tm\n0.217597 0.156169 0.114182 Tm\n0.782403 0.843831 0.885818 Tm\n0.238577 0.660373 0.192524 Sb\n0.761423 0.339627 0.807476 Sb\n0.733324 0.331804 0.308872 Sb\n0.266676 0.668196 0.691128 Sb\n0.087167 0.433983 0.688050 O\n0.912833 0.566017 0.311950 O\n0.609413 0.317582 0.560997 O\n0.390587 0.682418 0.439003 O\n0.883449 0.333914 0.061798 O\n0.116551 0.666086 0.938202 O\n0.401201 0.425635 0.199972 O\n0.598799 0.574365 0.800028 O\n0.043090 0.887237 0.170899 O\n0.956910 0.112763 0.829101 O\n0.534894 0.104294 0.307240 O\n0.465106 0.895706 0.692760 O\n0.460395 0.198498 0.883576 O\n0.539605 0.801502 0.116424 O\n0.017305 0.175955 0.383281 O\n0.982695 0.824045 0.616719 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tm",
"density": 7.772845199885753,
"density_atomic": 0.07918282846549841,
"volume": 303.09601797638857,
"volume_molar": 7.6053620168720935,
"formula_full": "Tm4 Sb4 O16",
"formula_reduced": "TmSbO4",
"formula_anonymous": "ABC4",
"energy": -182.87890948,
"energy_per_atom": -7.619954561666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.88690948,
"band_gap": 2.3509,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.502000Z",
"spacegroup": 2
},
{
"id": "mp-28779",
"created_at": "2022-09-04T14:42:48.814777Z",
"structure_string": "U2 Sb2 O10\n1.0\n3.294148 4.430393 0.000000\n-3.294148 4.430393 0.000000\n0.000000 3.261384 6.888516\nU Sb O\n2 2 10\ndirect\n0.470104 0.529896 0.750000 U\n0.529896 0.470104 0.250000 U\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.231019 0.269814 0.870569 O\n0.768981 0.730186 0.129431 O\n0.730186 0.768981 0.629431 O\n0.269814 0.231019 0.370569 O\n0.089665 0.910335 0.750000 O\n0.910335 0.089665 0.250000 O\n0.692466 0.292830 0.966866 O\n0.307534 0.707170 0.033134 O\n0.292830 0.692466 0.466866 O\n0.707170 0.307534 0.533134 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"U",
"Sb",
"O"
],
"chemical_system": "O-Sb-U",
"density": 7.264059245515063,
"density_atomic": 0.06962849513849126,
"volume": 201.0671058185871,
"volume_molar": 8.64896009603819,
"formula_full": "U2 Sb2 O10",
"formula_reduced": "USbO5",
"formula_anonymous": "ABC5",
"energy": -119.62152506,
"energy_per_atom": -8.544394647142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.75152506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.815000Z",
"spacegroup": 15
},
{
"id": "mp-31256",
"created_at": "2022-09-04T14:40:23.118346Z",
"structure_string": "U1 Sb2 O6\n1.0\n2.006353 6.866915 0.000000\n-2.006353 6.866915 0.000000\n0.000000 1.380870 5.191900\nU Sb O\n1 2 6\ndirect\n0.500000 0.500000 0.500000 U\n0.190100 0.190100 0.752585 Sb\n0.809900 0.809900 0.247415 Sb\n0.586092 0.586092 0.174137 O\n0.413908 0.413908 0.825863 O\n0.303933 0.303933 0.406343 O\n0.932763 0.932763 0.379108 O\n0.067237 0.067237 0.620892 O\n0.696067 0.696067 0.593657 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"Sb",
"O"
],
"chemical_system": "O-Sb-U",
"density": 6.703626775519296,
"density_atomic": 0.06290963673961766,
"volume": 143.0623425350699,
"volume_molar": 9.572684046683623,
"formula_full": "U1 Sb2 O6",
"formula_reduced": "U(SbO3)2",
"formula_anonymous": "AB2C6",
"energy": -72.42829764,
"energy_per_atom": -8.047588626666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.30629764,
"band_gap": 1.2887000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.14e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.031000Z",
"spacegroup": 12
},
{
"id": "mp-1100910",
"created_at": "2022-09-04T14:40:28.511899Z",
"structure_string": "V1 Sb1 O4\n1.0\n17.055095 0.000000 0.000000\n0.000000 21.753393 -0.747776\n0.000000 -0.747776 21.753393\nV Sb O\n1 1 4\ndirect\n-0.000000 -0.000000 -0.000000 V\n0.500000 0.500000 0.500000 Sb\n-0.000000 0.368623 0.368623 O\n0.500000 0.559180 0.440820 O\n0.500000 0.440820 0.559180 O\n-0.000000 0.631377 0.631377 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 0.048758578644010925,
"density_atomic": 0.0007443146778840383,
"volume": 8061.106650559402,
"volume_molar": 809.0853155173476,
"formula_full": "V1 Sb1 O4",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy": -24.891786340000003,
"energy_per_atom": -4.148631056666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.44378634,
"band_gap": 0.0379000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.369285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.391000Z",
"spacegroup": 65
},
{
"id": "mp-770857",
"created_at": "2022-09-04T14:44:55.106001Z",
"structure_string": "V4 Sb16 O48\n1.0\n5.499537 -0.047071 0.025402\n0.520376 14.981638 -8.269613\n0.708637 3.408380 8.488968\nV Sb O\n4 16 48\ndirect\n0.596718 0.567272 0.710075 V\n0.596572 0.817732 0.459332 V\n0.597029 0.317439 0.960986 V\n0.596011 0.067368 0.211434 V\n0.991816 0.994005 0.976088 Sb\n0.993460 0.243454 0.726575 Sb\n0.993856 0.493389 0.476291 Sb\n0.993041 0.743496 0.225296 Sb\n0.460664 0.500621 0.011075 Sb\n0.460444 0.750498 0.759737 Sb\n0.460350 0.000912 0.512106 Sb\n0.461093 0.250646 0.261852 Sb\n0.990940 0.872748 0.629500 Sb\n0.991350 0.122584 0.380102 Sb\n0.991749 0.372369 0.130174 Sb\n0.991505 0.622394 0.879238 Sb\n0.467310 0.621076 0.354965 Sb\n0.466503 0.871083 0.104105 Sb\n0.466884 0.121225 0.855946 Sb\n0.467690 0.370931 0.605744 Sb\n0.752006 0.422032 0.991409 O\n0.751855 0.671889 0.740044 O\n0.751561 0.922350 0.490571 O\n0.752047 0.172117 0.241632 O\n0.983369 0.469563 0.260687 O\n0.982390 0.719601 0.009657 O\n0.982143 0.969836 0.760232 O\n0.984496 0.219714 0.510786 O\n0.162514 0.593813 0.462908 O\n0.162084 0.843809 0.212128 O\n0.160609 0.094350 0.962953 O\n0.162556 0.343839 0.713466 O\n0.297773 0.395047 0.008325 O\n0.297530 0.644916 0.757181 O\n0.297153 0.895330 0.507884 O\n0.297725 0.145110 0.258345 O\n0.300764 0.686976 0.232375 O\n0.299220 0.937261 0.982590 O\n0.301245 0.186933 0.732959 O\n0.301577 0.436810 0.482994 O\n0.487736 0.523213 0.218659 O\n0.486999 0.773355 0.967336 O\n0.486872 0.023116 0.719841 O\n0.488440 0.273016 0.469497 O\n0.462975 0.727519 0.520345 O\n0.463130 0.977401 0.271639 O\n0.463695 0.227323 0.021823 O\n0.463463 0.477226 0.771466 O\n0.655926 0.562290 0.501461 O\n0.655443 0.812488 0.250642 O\n0.654202 0.062603 0.002511 O\n0.655987 0.312318 0.752296 O\n0.647201 0.837506 0.685027 O\n0.647474 0.087593 0.436898 O\n0.647896 0.337460 0.186624 O\n0.647520 0.587448 0.935574 O\n0.787550 0.654391 0.273102 O\n0.786139 0.904686 0.022667 O\n0.787306 0.154308 0.773685 O\n0.787895 0.404299 0.523820 O\n0.932478 0.785064 0.453806 O\n0.932638 0.034760 0.205178 O\n0.933372 0.284627 0.955359 O\n0.933133 0.534445 0.704810 O\n0.140348 0.801941 0.750039 O\n0.140726 0.052175 0.501501 O\n0.141344 0.302003 0.251544 O\n0.140903 0.552175 0.000992 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.672920227036166,
"density_atomic": 0.07956076129907215,
"volume": 854.6926762601632,
"volume_molar": 7.569234710264432,
"formula_full": "V4 Sb16 O48",
"formula_reduced": "V(SbO3)4",
"formula_anonymous": "AB4C12",
"energy": -465.25093447,
"energy_per_atom": -6.841925506911765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -425.47493447,
"band_gap": 1.1530000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9540715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.318000Z",
"spacegroup": 1
},
{
"id": "mp-1100948",
"created_at": "2022-09-04T14:47:28.746474Z",
"structure_string": "V11 Sb9 O40\n1.0\n3.147604 0.000000 0.000000\n0.000000 4.676522 0.030167\n0.000000 -0.062764 46.632134\nV Sb O\n11 9 40\ndirect\n0.000000 0.018852 0.001284 V\n0.000000 0.981148 0.498716 V\n0.000000 0.999870 0.700070 V\n0.000000 0.998539 0.599988 V\n0.000000 0.000130 0.799930 V\n0.000000 0.001461 0.900012 V\n0.500000 0.521834 0.047252 V\n0.500000 0.501577 0.149625 V\n0.500000 0.498423 0.350375 V\n0.500000 0.500000 0.250000 V\n0.500000 0.478166 0.452748 V\n0.000000 0.005664 0.099244 Sb\n0.000000 0.000619 0.199792 Sb\n0.000000 0.994336 0.400756 Sb\n0.000000 0.999381 0.300208 Sb\n0.500000 0.498921 0.650043 Sb\n0.500000 0.500000 0.750000 Sb\n0.500000 0.495864 0.549742 Sb\n0.500000 0.501079 0.849957 Sb\n0.500000 0.504136 0.950258 Sb\n0.000000 0.689277 0.069924 O\n0.000000 0.304341 0.129364 O\n0.000000 0.695447 0.170118 O\n0.000000 0.304553 0.329882 O\n0.000000 0.695659 0.370636 O\n0.000000 0.310723 0.430076 O\n0.000000 0.307076 0.529662 O\n0.000000 0.691911 0.569519 O\n0.000000 0.309024 0.730521 O\n0.000000 0.690976 0.769479 O\n0.000000 0.308089 0.930481 O\n0.000000 0.692924 0.970338 O\n0.500000 0.189166 0.280547 O\n0.500000 0.194926 0.078983 O\n0.500000 0.190179 0.380873 O\n0.500000 0.801357 0.020479 O\n0.500000 0.193278 0.179825 O\n0.500000 0.198643 0.479521 O\n0.500000 0.809821 0.119127 O\n0.500000 0.810834 0.219453 O\n0.500000 0.195608 0.680167 O\n0.500000 0.806722 0.320175 O\n0.500000 0.196644 0.579921 O\n0.500000 0.196768 0.879746 O\n0.500000 0.804129 0.519704 O\n0.500000 0.805074 0.421017 O\n0.500000 0.803232 0.620254 O\n0.500000 0.195431 0.780025 O\n0.500000 0.804569 0.719975 O\n0.500000 0.195871 0.980296 O\n0.500000 0.804392 0.819833 O\n0.500000 0.803356 0.920079 O\n0.000000 0.316088 0.031687 O\n0.000000 0.304119 0.229883 O\n0.000000 0.695881 0.270117 O\n0.000000 0.683912 0.468313 O\n0.000000 0.304756 0.630314 O\n0.000000 0.688834 0.669644 O\n0.000000 0.311166 0.830356 O\n0.000000 0.695244 0.869686 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.5547111167129755,
"density_atomic": 0.08740959724291365,
"volume": 686.4234808594114,
"volume_molar": 6.889564704507569,
"formula_full": "V11 Sb9 O40",
"formula_reduced": "V11Sb9O40",
"formula_anonymous": "A9B11C40",
"energy": -467.37334272,
"energy_per_atom": -7.789555711999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -421.19334272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0307104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.232000Z",
"spacegroup": 10
},
{
"id": "mp-1100902",
"created_at": "2022-09-04T14:47:29.543441Z",
"structure_string": "V4 Sb4 O16\n1.0\n4.675244 0.054299 -3.155227\n-4.674497 -0.055000 -3.154136\n0.109664 9.350845 -3.153660\nV Sb O\n4 4 16\ndirect\n0.499981 0.499989 0.000032 V\n0.250021 0.250012 0.499967 V\n0.749994 0.750019 0.499990 V\n0.000008 0.999974 0.000016 V\n0.625041 0.125034 0.749958 Sb\n0.374940 0.874930 0.250033 Sb\n0.125069 0.625106 0.749980 Sb\n0.874949 0.374930 0.250028 Sb\n0.398675 0.200418 0.900883 O\n0.148586 0.950435 0.400926 O\n0.898777 0.700489 0.900868 O\n0.648722 0.450549 0.400913 O\n0.851222 0.049480 0.599125 O\n0.601397 0.799570 0.099074 O\n0.351343 0.549580 0.599117 O\n0.101277 0.299481 0.099091 O\n0.826355 0.521001 0.652665 O\n0.576310 0.271006 0.152653 O\n0.326362 0.020985 0.652677 O\n0.076319 0.771034 0.152640 O\n0.923663 0.229030 0.847322 O\n0.673658 0.978935 0.347373 O\n0.423667 0.729042 0.847313 O\n0.173665 0.478969 0.347356 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.70089195853581,
"density_atomic": 0.08702586662235469,
"volume": 275.7800747236112,
"volume_molar": 6.919943453287105,
"formula_full": "V4 Sb4 O16",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy": -185.17920177,
"energy_per_atom": -7.71580007375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.38720177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.440000Z",
"spacegroup": 65
}
]
}