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=structure_string&page=10219",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=10217",
"results": [
{
"id": "mp-1278734",
"created_at": "2022-09-04T14:40:20.566092Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n4.008961 4.013421 0.000077\n-4.032081 4.036997 0.000269\n-0.000181 0.000349 7.915126\nSr V Mo O\n4 2 2 12\ndirect\n0.499859 0.002960 0.230526 Sr\n0.999990 0.496999 0.230514 Sr\n0.500079 0.996993 0.769499 Sr\n0.000086 0.503039 0.769484 Sr\n0.499945 0.499975 0.999825 V\n0.000043 0.999851 0.000136 V\n0.000003 0.000066 0.499947 Mo\n0.500002 0.500002 0.500000 Mo\n0.003216 0.952371 0.238223 O\n0.496920 0.547614 0.238223 O\n0.996773 0.047655 0.761826 O\n0.503086 0.452389 0.761717 O\n0.250065 0.249980 0.020309 O\n0.749951 0.750004 0.979684 O\n0.249973 0.749948 0.977131 O\n0.750016 0.250040 0.022866 O\n0.249471 0.250551 0.467046 O\n0.750500 0.749508 0.533007 O\n0.250534 0.750626 0.538082 O\n0.749487 0.249429 0.461955 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-V",
"density": 5.420294869523175,
"density_atomic": 0.07806835984839372,
"volume": 256.18573310415854,
"volume_molar": 7.713932727285173,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy": -161.08693682,
"energy_per_atom": -8.054346841000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.03893682,
"band_gap": 1.0451999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.081000Z",
"spacegroup": 53
},
{
"id": "mp-1282190",
"created_at": "2022-09-04T14:39:38.382829Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n-4.017997 3.995080 0.000381\n-4.018919 -3.995907 0.000391\n-4.021054 -0.000712 8.029261\nSr V Mo O\n4 2 2 12\ndirect\n0.384978 0.884908 0.230157 Sr\n0.884710 0.384830 0.230246 Sr\n0.115093 0.615180 0.769923 Sr\n0.615042 0.115074 0.769919 Sr\n0.500180 0.500234 0.999542 V\n0.000272 0.000218 0.999534 V\n0.250024 0.250044 0.499971 Mo\n0.749979 0.749939 0.500076 Mo\n0.375751 0.375457 0.248899 O\n0.875811 0.875323 0.248605 O\n0.124331 0.124383 0.751649 O\n0.623975 0.624435 0.751325 O\n0.762793 0.236870 0.000239 O\n0.236906 0.762774 0.000328 O\n0.250455 0.250279 0.999984 O\n0.749582 0.749823 0.999793 O\n0.510019 0.990054 0.499816 O\n0.990359 0.510327 0.499497 O\n0.000297 0.000060 0.500323 O\n0.499443 0.499786 0.500173 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-V",
"density": 5.385962410442902,
"density_atomic": 0.07757387037236363,
"volume": 257.81877201688746,
"volume_molar": 7.763104678280227,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy": -161.10613903,
"energy_per_atom": -8.0553069515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.05813903,
"band_gap": 0.3704,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0079707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.156000Z",
"spacegroup": 42
},
{
"id": "mp-1287942",
"created_at": "2022-09-04T14:44:30.739731Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n4.032796 0.003946 0.000169\n0.000298 0.001488 7.913933\n-0.007692 -8.051122 -0.002095\nSr V Mo O\n4 2 2 12\ndirect\n0.499905 0.246227 0.753394 Sr\n0.500091 0.753757 0.246580 Sr\n0.500038 0.246311 0.246690 Sr\n0.499958 0.753647 0.753328 Sr\n0.999999 0.500051 0.500029 V\n0.000029 0.999969 0.999977 V\n0.999995 0.500087 0.999972 Mo\n0.999997 0.999926 0.499976 Mo\n0.500000 0.000031 0.999996 O\n0.500006 0.499939 0.499989 O\n0.499996 0.499945 0.000008 O\n0.499996 0.000016 0.499998 O\n0.999544 0.236160 0.000262 O\n0.999891 0.752502 0.500069 O\n0.000446 0.763934 0.999753 O\n0.000112 0.247567 0.499932 O\n0.002802 0.500144 0.249228 O\n0.000248 0.000136 0.750870 O\n0.997208 0.499742 0.750832 O\n0.999737 0.999906 0.249119 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr-V",
"density": 5.404098435202804,
"density_atomic": 0.07783508304459966,
"volume": 256.95353840041463,
"volume_molar": 7.737051885136811,
"formula_full": "Sr4 V2 Mo2 O12",
"formula_reduced": "Sr2VMoO6",
"formula_anonymous": "ABC2D6",
"energy": -160.52151711,
"energy_per_atom": -8.0260758555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.47351711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7792556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.522000Z",
"spacegroup": 47
},
{
"id": "mp-1218530",
"created_at": "2022-09-04T14:39:35.872234Z",
"structure_string": "Sr4 V2 P4 O18\n1.0\n-6.179796 0.000000 2.916362\n0.006205 0.000000 -7.073332\n-3.086795 -7.998834 -2.078485\nSr V P O\n4 2 4 18\ndirect\n0.208757 0.957389 0.083039 Sr\n0.791796 0.040428 0.916961 Sr\n0.626861 0.376660 0.248397 Sr\n0.375257 0.625057 0.751603 Sr\n0.002862 0.982780 0.492990 V\n0.995852 0.475770 0.507010 V\n0.828083 0.577062 0.844209 P\n0.172292 0.421271 0.155791 P\n0.413209 0.163047 0.672446 P\n0.585655 0.835494 0.327553 P\n0.951858 0.687668 0.951138 O\n0.596356 0.360708 0.951318 O\n0.047673 0.312025 0.048682 O\n0.402996 0.638806 0.048862 O\n0.746157 0.783034 0.213559 O\n0.538238 0.001971 0.214841 O\n0.253078 0.216812 0.785159 O\n0.459716 0.996593 0.786441 O\n0.983160 0.515709 0.727357 O\n0.792111 0.755958 0.725743 O\n0.017854 0.481701 0.274257 O\n0.210517 0.243067 0.272643 O\n0.705361 0.930452 0.447336 O\n0.348534 0.620155 0.448987 O\n0.297521 0.069142 0.551013 O\n0.652697 0.377788 0.552664 O\n0.037515 0.788267 0.418359 O\n0.955874 0.206627 0.581641 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 4.106218598333027,
"density_atomic": 0.08011484453960727,
"volume": 349.49827539336144,
"volume_molar": 7.516885034985953,
"formula_full": "Sr4 V2 P4 O18",
"formula_reduced": "Sr2VP2O9",
"formula_anonymous": "AB2C2D9",
"energy": -221.71120979,
"energy_per_atom": -7.9182574924999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.94520979,
"band_gap": 1.5748000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995519,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.466000Z",
"spacegroup": 9
},
{
"id": "mp-727920",
"created_at": "2022-09-04T14:42:56.278803Z",
"structure_string": "Sr4 V2 P6 O24\n1.0\n6.154474 5.475449 0.000000\n-6.154474 5.475449 0.000000\n0.000000 5.442834 7.315031\nSr V P O\n4 2 6 24\ndirect\n0.645179 0.056317 0.687510 Sr\n0.943683 0.354821 0.812490 Sr\n0.354821 0.943683 0.312490 Sr\n0.056317 0.645179 0.187510 Sr\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.296262 0.703738 0.750000 P\n0.703738 0.296262 0.250000 P\n0.818780 0.702177 0.558325 P\n0.297823 0.181220 0.941675 P\n0.181220 0.297823 0.441675 P\n0.702177 0.818780 0.058325 P\n0.399265 0.646970 0.597030 O\n0.353030 0.600735 0.902970 O\n0.600735 0.353030 0.402970 O\n0.646970 0.399265 0.097030 O\n0.740075 0.622749 0.455963 O\n0.377251 0.259925 0.044037 O\n0.259925 0.377251 0.544037 O\n0.622749 0.740075 0.955963 O\n0.456596 0.301424 0.731381 O\n0.698576 0.543404 0.768619 O\n0.543404 0.698576 0.268619 O\n0.301424 0.456596 0.231381 O\n0.373734 0.907953 0.682994 O\n0.092047 0.626266 0.817006 O\n0.626266 0.092047 0.317006 O\n0.907953 0.373734 0.182994 O\n0.019754 0.695655 0.483175 O\n0.304345 0.980246 0.016825 O\n0.980246 0.304345 0.516825 O\n0.695655 0.019754 0.983175 O\n0.793315 0.884798 0.539042 O\n0.115202 0.206685 0.960958 O\n0.206685 0.115202 0.460958 O\n0.884798 0.793315 0.039042 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.442899751155509,
"density_atomic": 0.07302064329733142,
"volume": 493.01126879165196,
"volume_molar": 8.247175713693121,
"formula_full": "Sr4 V2 P6 O24",
"formula_reduced": "Sr2V(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -279.3548368,
"energy_per_atom": -7.759856577777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.4668368,
"band_gap": 0.9960999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.289000Z",
"spacegroup": 15
},
{
"id": "mp-21303",
"created_at": "2022-09-04T14:44:17.038958Z",
"structure_string": "Sr4 V3 O10\n1.0\n-1.949524 1.949524 14.098936\n1.949524 -1.949524 14.098936\n1.949524 1.949524 -14.098936\nSr V O\n4 3 10\ndirect\n0.702454 0.702454 0.000000 Sr\n0.297546 0.297546 0.000000 Sr\n0.568514 0.568514 0.000000 Sr\n0.431486 0.431486 0.000000 Sr\n0.860826 0.860826 0.000000 V\n0.139174 0.139174 0.000000 V\n0.000000 0.000000 0.000000 V\n0.790926 0.790926 0.000000 O\n0.209074 0.209074 0.000000 O\n0.361613 0.861613 0.500000 O\n0.861613 0.361613 0.500000 O\n0.638387 0.138387 0.500000 O\n0.138387 0.638387 0.500000 O\n0.931323 0.931323 0.000000 O\n0.000000 0.500000 0.500000 O\n0.068677 0.068677 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sr",
"V",
"O"
],
"chemical_system": "O-Sr-V",
"density": 5.138715926888788,
"density_atomic": 0.07931319021786296,
"volume": 214.3401362787605,
"volume_molar": 7.592861595225166,
"formula_full": "Sr4 V3 O10",
"formula_reduced": "Sr4V3O10",
"formula_anonymous": "A3B4C10",
"energy": -132.92764535,
"energy_per_atom": -7.8192732558823534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.95764535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0012949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.891000Z",
"spacegroup": 139
},
{
"id": "mp-558871",
"created_at": "2022-09-04T14:41:07.620071Z",
"structure_string": "Sr4 V4 Cl4 O12\n1.0\n5.334272 0.000000 0.000000\n0.000000 7.085691 0.000000\n0.000000 0.000000 10.245809\nSr V Cl O\n4 4 4 12\ndirect\n0.750000 0.903037 0.811264 Sr\n0.750000 0.596963 0.311264 Sr\n0.250000 0.096963 0.188736 Sr\n0.250000 0.403037 0.688736 Sr\n0.750000 0.058168 0.462334 V\n0.750000 0.441832 0.962334 V\n0.250000 0.558168 0.037666 V\n0.250000 0.941832 0.537666 V\n0.250000 0.432658 0.391849 Cl\n0.250000 0.067342 0.891849 Cl\n0.750000 0.932658 0.108151 Cl\n0.750000 0.567342 0.608151 Cl\n0.750000 0.261364 0.861381 O\n0.005998 0.904106 0.400258 O\n0.494002 0.904106 0.400258 O\n0.994002 0.095894 0.599742 O\n0.750000 0.238636 0.361381 O\n0.250000 0.738636 0.138619 O\n0.494002 0.595894 0.900258 O\n0.505998 0.095894 0.599742 O\n0.005998 0.595894 0.900258 O\n0.250000 0.761364 0.638619 O\n0.994002 0.404106 0.099742 O\n0.505998 0.404106 0.099742 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"V",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr-V",
"density": 3.807880277654851,
"density_atomic": 0.06197372772960302,
"volume": 387.2608745550077,
"volume_molar": 9.717247905878995,
"formula_full": "Sr4 V4 Cl4 O12",
"formula_reduced": "SrVClO3",
"formula_anonymous": "ABCD3",
"energy": -175.57213521,
"energy_per_atom": -7.31550563375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.07213521,
"band_gap": 2.189,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0031529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.777000Z",
"spacegroup": 62
},
{
"id": "mp-1195252",
"created_at": "2022-09-04T14:47:02.428410Z",
"structure_string": "Sr4 V4 Cu4 H4 O20\n1.0\n0.000000 0.000000 5.946402\n7.625388 0.000000 0.000000\n0.000000 9.863371 0.000000\nSr V Cu H O\n4 4 4 4 20\ndirect\n0.021396 0.364792 0.826684 Sr\n0.521396 0.135208 0.173316 Sr\n0.978604 0.864792 0.673316 Sr\n0.478604 0.635208 0.326684 Sr\n0.990078 0.390593 0.166046 V\n0.490078 0.109407 0.833954 V\n0.009922 0.890593 0.333954 V\n0.509922 0.609407 0.666046 V\n0.251034 0.752533 0.000453 Cu\n0.751034 0.747467 0.999547 Cu\n0.748966 0.252533 0.499547 Cu\n0.248966 0.247467 0.500453 Cu\n0.992201 0.002651 0.985941 H\n0.492201 0.497349 0.014059 H\n0.007799 0.502651 0.514059 H\n0.507799 0.997349 0.485941 H\n0.003422 0.575111 0.049136 O\n0.503422 0.924889 0.950864 O\n0.996578 0.075111 0.450864 O\n0.496578 0.424889 0.549136 O\n0.948013 0.210250 0.061843 O\n0.448013 0.289750 0.938157 O\n0.051987 0.710250 0.438157 O\n0.551987 0.789750 0.561843 O\n0.262552 0.629740 0.756370 O\n0.762552 0.870260 0.243630 O\n0.737448 0.129740 0.743630 O\n0.237448 0.370260 0.256370 O\n0.741387 0.604413 0.772141 O\n0.241387 0.895587 0.227859 O\n0.258613 0.104413 0.727859 O\n0.758613 0.395587 0.272141 O\n0.999203 0.889392 0.936293 O\n0.499203 0.610608 0.063707 O\n0.000797 0.389392 0.563707 O\n0.500797 0.110608 0.436293 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Sr",
"V",
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O-Sr-V",
"density": 4.2046171760580435,
"density_atomic": 0.08049351994704651,
"volume": 447.2409707474958,
"volume_molar": 7.481522443001284,
"formula_full": "Sr4 V4 Cu4 H4 O20",
"formula_reduced": "SrVCuHO5",
"formula_anonymous": "ABCDE5",
"energy": -251.07531528,
"energy_per_atom": -6.974314313333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.53531528,
"band_gap": 0.5335000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0019903,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.937000Z",
"spacegroup": 19
},
{
"id": "mp-1046832",
"created_at": "2022-09-04T14:40:27.814169Z",
"structure_string": "Sr4 V4 Ga2 O14\n1.0\n-2.715815 2.757290 11.156539\n2.715815 -2.757290 11.156539\n2.715815 2.757290 -11.156539\nSr V Ga O\n4 4 2 14\ndirect\n0.365953 0.855337 0.515942 Sr\n0.634047 0.149988 0.489384 Sr\n0.839395 0.355337 0.489384 Sr\n0.160605 0.649988 0.515942 Sr\n0.569576 0.574808 0.006459 V\n0.931650 0.936883 0.006459 V\n0.068350 0.074808 0.005233 V\n0.430424 0.436883 0.005233 V\n0.827266 0.703693 0.030958 Ga\n0.172734 0.203693 0.876427 Ga\n0.668645 0.671316 0.478459 O\n0.863056 0.355587 0.718643 O\n0.692857 0.171316 0.002671 O\n0.206285 0.190833 0.051624 O\n0.837302 0.842357 0.531423 O\n0.810934 0.342357 0.005055 O\n0.136944 0.855587 0.492531 O\n0.307143 0.309814 0.478459 O\n0.331355 0.809814 0.002671 O\n0.639209 0.690833 0.984548 O\n0.793715 0.845339 0.984548 O\n0.360791 0.345339 0.051624 O\n0.162698 0.694121 0.005055 O\n0.189066 0.194121 0.531423 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"V",
"Ga",
"O"
],
"chemical_system": "Ga-O-Sr-V",
"density": 4.560053733568667,
"density_atomic": 0.07181896365903215,
"volume": 334.17357724545354,
"volume_molar": 8.385168001853561,
"formula_full": "Sr4 V4 Ga2 O14",
"formula_reduced": "Sr2V2GaO7",
"formula_anonymous": "AB2C2D7",
"energy": -179.70947315,
"energy_per_atom": -7.487894714583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.29147315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0004342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.927000Z",
"spacegroup": 46
},
{
"id": "mp-1246556",
"created_at": "2022-09-04T14:46:03.548642Z",
"structure_string": "Sr4 V4 N8\n1.0\n6.293845 0.000000 0.039685\n0.000000 7.384769 0.000000\n-2.273464 0.000000 5.256976\nSr V N\n4 4 8\ndirect\n0.342796 0.925233 0.684732 Sr\n0.657204 0.425233 0.815268 Sr\n0.657204 0.074767 0.315268 Sr\n0.342796 0.574767 0.184732 Sr\n0.121346 0.356050 0.572920 V\n0.878654 0.856050 0.927080 V\n0.878654 0.643950 0.427080 V\n0.121346 0.143950 0.072920 V\n0.208731 0.902420 0.072027 N\n0.791269 0.402420 0.427973 N\n0.791269 0.097580 0.927973 N\n0.208731 0.597580 0.572027 N\n0.262411 0.273015 0.900402 N\n0.737589 0.773015 0.599598 N\n0.737589 0.726985 0.099598 N\n0.262411 0.226985 0.400402 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"V",
"N"
],
"chemical_system": "N-Sr-V",
"density": 4.515928427256101,
"density_atomic": 0.06530529307937719,
"volume": 245.00311147141383,
"volume_molar": 9.221520149492655,
"formula_full": "Sr4 V4 N8",
"formula_reduced": "SrVN2",
"formula_anonymous": "ABC2",
"energy": -129.58307091,
"energy_per_atom": -8.098941931875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.69507091,
"band_gap": 0.2572000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.991000Z",
"spacegroup": 14
},
{
"id": "mp-17502",
"created_at": "2022-09-04T14:43:24.828462Z",
"structure_string": "Sr4 V4 P4 O24\n1.0\n9.887499 0.000000 0.000000\n0.000000 5.619000 0.000000\n0.000000 0.259538 8.585819\nSr V P O\n4 4 4 24\ndirect\n0.187771 0.862429 0.428876 Sr\n0.687771 0.137571 0.071124 Sr\n0.812229 0.137571 0.571124 Sr\n0.312229 0.862429 0.928876 Sr\n0.091290 0.344858 0.088053 V\n0.591290 0.655142 0.411947 V\n0.908710 0.655142 0.911947 V\n0.408710 0.344858 0.588053 V\n0.893976 0.663951 0.286146 P\n0.393976 0.336049 0.213854 P\n0.106024 0.336049 0.713854 P\n0.606024 0.663951 0.786146 P\n0.924828 0.876220 0.386278 O\n0.424828 0.123780 0.113722 O\n0.075172 0.123780 0.613722 O\n0.575172 0.876220 0.886278 O\n0.076605 0.681923 0.966366 O\n0.576605 0.318077 0.533634 O\n0.923395 0.318077 0.033634 O\n0.423395 0.681923 0.466366 O\n0.136895 0.086254 0.171833 O\n0.636895 0.913746 0.328167 O\n0.863105 0.913746 0.828167 O\n0.363105 0.086254 0.671833 O\n0.341070 0.253277 0.380133 O\n0.841070 0.746723 0.119867 O\n0.658930 0.746723 0.619867 O\n0.158930 0.253277 0.880133 O\n0.467788 0.526325 0.771301 O\n0.967788 0.473675 0.728699 O\n0.532212 0.473675 0.228699 O\n0.032212 0.526325 0.271301 O\n0.215193 0.504995 0.638830 O\n0.715193 0.495005 0.861170 O\n0.784807 0.495005 0.361170 O\n0.284807 0.504995 0.138830 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.697414918017325,
"density_atomic": 0.07547016288741895,
"volume": 477.00970320817055,
"volume_molar": 7.979498823903962,
"formula_full": "Sr4 V4 P4 O24",
"formula_reduced": "SrVPO6",
"formula_anonymous": "ABCD6",
"energy": -286.99854002,
"energy_per_atom": -7.972181667222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.71054002,
"band_gap": 2.1868,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.081000Z",
"spacegroup": 14
},
{
"id": "mp-1046421",
"created_at": "2022-09-04T14:47:25.072864Z",
"structure_string": "Sr4 V4 P8 O32\n1.0\n-4.237184 -6.519202 3.438259\n5.661822 -0.184300 7.751755\n-1.913838 6.617521 6.640405\nSr V P O\n4 4 8 32\ndirect\n0.513508 0.764524 0.285473 Sr\n0.013511 0.264559 0.785552 Sr\n0.986489 0.735442 0.214446 Sr\n0.486493 0.235475 0.714528 Sr\n0.014676 0.719217 0.824258 V\n0.985306 0.280824 0.175721 V\n0.514676 0.219211 0.324429 V\n0.485327 0.780787 0.675576 V\n0.703468 0.100795 0.119815 P\n0.203482 0.600830 0.619743 P\n0.796520 0.399171 0.380255 P\n0.296531 0.899205 0.880186 P\n0.714590 0.560914 0.737181 P\n0.214618 0.060776 0.237265 P\n0.785386 0.939220 0.762738 P\n0.285406 0.439084 0.262818 P\n0.736753 0.570797 0.318827 O\n0.236786 0.070819 0.818794 O\n0.763215 0.929181 0.181208 O\n0.263247 0.429205 0.681174 O\n0.556472 0.162782 0.992332 O\n0.056500 0.662765 0.492227 O\n0.943501 0.337239 0.507775 O\n0.443530 0.837218 0.007668 O\n0.653647 0.295948 0.437871 O\n0.153638 0.795984 0.937802 O\n0.846356 0.204012 0.062195 O\n0.346354 0.704052 0.562130 O\n0.837513 0.783683 0.917300 O\n0.337542 0.283588 0.417427 O\n0.662458 0.716409 0.582576 O\n0.162488 0.216315 0.082701 O\n0.410199 0.408296 0.165026 O\n0.910183 0.908512 0.664921 O\n0.089821 0.091474 0.335083 O\n0.589798 0.591700 0.834974 O\n0.798299 0.084404 0.784939 O\n0.298323 0.584341 0.284881 O\n0.701677 0.415658 0.715117 O\n0.201706 0.915593 0.215057 O\n0.672872 0.125227 0.268132 O\n0.172809 0.625293 0.768023 O\n0.827195 0.374704 0.231985 O\n0.327130 0.874774 0.731868 O\n0.389017 0.051719 0.325721 O\n0.888995 0.551882 0.825595 O\n0.111004 0.448111 0.174408 O\n0.610983 0.948280 0.674277 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"V",
"P",
"O"
],
"chemical_system": "O-P-Sr-V",
"density": 3.153287421069567,
"density_atomic": 0.06936729329719925,
"volume": 691.9687610463249,
"volume_molar": 8.681527667799527,
"formula_full": "Sr4 V4 P8 O32",
"formula_reduced": "SrV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -380.06352229,
"energy_per_atom": -7.917990047708333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.27952229,
"band_gap": 1.7375,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.979000Z",
"spacegroup": 2
}
]
}