HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3672",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3670",
"results": [
{
"id": "jvasp-48579",
"created_at": "2022-09-04T14:35:51.632226Z",
"updated_at": "2022-09-04T14:35:51.632250Z",
"structure_string": "V4 O4 F12\n1.0\n5.558521 0.000000 0.000000\n0.000000 4.840958 0.000000\n0.000000 0.000000 9.106096\nV O F\n4 4 12\ndirect\n0.179558 0.104241 0.109324 V\n0.320442 0.895759 0.609325 V\n0.679558 0.395759 0.890676 V\n0.820441 0.604241 0.390676 V\n0.137804 0.738826 0.496116 O\n0.362196 0.261175 -0.003884 O\n0.637804 0.761175 0.503884 O\n0.862196 0.238826 0.003884 O\n0.610512 0.699623 -0.012250 F\n0.889487 0.300377 0.487750 F\n0.619270 0.453843 0.267639 F\n0.594908 0.116357 0.766356 F\n0.405092 0.616358 0.733645 F\n0.119270 0.046157 0.732361 F\n0.110513 0.800377 0.012250 F\n0.389487 0.199623 0.512250 F\n0.880730 0.546157 0.767639 F\n0.094908 0.383643 0.233645 F\n0.380730 -0.046157 0.232361 F\n0.905091 0.883643 0.266355 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.359573586971324,
"density_atomic": 0.08162199502069534,
"volume": 245.03199162099602,
"volume_molar": 7.378085721223893,
"formula_full": "V4 O4 F12",
"formula_reduced": "VOF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.8018777094999998,
"spacegroup": 19
},
{
"id": "jvasp-57967",
"created_at": "2022-09-04T14:37:01.269812Z",
"updated_at": "2022-09-04T14:37:01.269828Z",
"structure_string": "Zn4 Co2 N4\n1.0\n3.508601 0.002374 0.002650\n1.748830 6.477453 -0.040183\n1.747528 1.622695 5.382661\nZn Co N\n4 2 4\ndirect\n0.653157 0.497270 0.200968 Zn\n0.349868 0.503237 0.801464 Zn\n0.116214 0.174140 0.598584 Zn\n0.886837 0.826364 0.403869 Zn\n0.383252 0.106182 0.131939 Co\n0.619788 0.894323 0.870517 Co\n0.202469 0.353089 0.246422 N\n0.800559 0.647418 0.756031 N\n0.484930 0.812515 0.221181 N\n0.518114 0.187992 0.781279 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Co",
"N"
],
"chemical_system": "Co-N-Zn",
"density": 5.903085832293173,
"density_atomic": 0.08162303383779235,
"volume": 122.51443654830057,
"volume_molar": 7.377991820259546,
"formula_full": "Zn4 Co2 N4",
"formula_reduced": "Zn2CoN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.25050964,
"spacegroup": 12
},
{
"id": "jvasp-112032",
"created_at": "2022-09-04T14:38:43.627405Z",
"updated_at": "2022-09-04T14:38:43.627433Z",
"structure_string": "H4 C12 S2 O6\n1.0\n4.556222 0.048683 1.028947\n0.714764 6.569448 2.047713\n0.179943 -0.056983 9.858585\nH C S O\n4 12 2 6\ndirect\n0.925363 0.610188 0.764022 H\n0.925364 0.110186 0.264023 H\n0.514458 0.821220 0.914292 H\n0.514458 0.321219 0.414292 H\n0.935473 0.663528 0.370992 C\n0.935473 0.163530 0.870991 C\n0.090184 0.072173 0.653253 C\n0.090185 0.572172 0.153253 C\n0.741204 0.336080 0.906653 C\n0.741203 0.836080 0.406653 C\n0.350212 0.533573 0.043039 C\n0.537066 0.156971 0.435162 C\n0.537067 0.656973 0.935162 C\n0.757224 0.043772 0.354458 C\n0.757223 0.543774 0.854458 C\n0.350211 0.033573 0.543039 C\n0.447090 0.279403 0.049829 S\n0.447088 0.779403 0.549829 S\n0.951602 0.492886 0.451432 O\n0.872182 0.482002 0.183908 O\n0.872181 0.982002 0.683908 O\n0.118491 0.705351 0.229303 O\n0.118490 0.205352 0.729302 O\n0.951603 0.992887 0.951431 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7410289398603196,
"density_atomic": 0.0816231860126167,
"volume": 294.03409953012937,
"volume_molar": 7.3779780650428695,
"formula_full": "H4 C12 S2 O6",
"formula_reduced": "H2C6SO3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 5.105767541666666,
"spacegroup": 1
},
{
"id": "jvasp-70488",
"created_at": "2022-09-04T14:35:52.297091Z",
"updated_at": "2022-09-04T14:35:52.297113Z",
"structure_string": "Be2 Pd1 W1\n1.0\n-1.753870 1.753870 3.982799\n1.753870 -1.753870 3.982799\n1.753870 1.753870 -3.982799\nBe Pd W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Pd\n0.750000 0.250000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Pd",
"W"
],
"chemical_system": "Be-Pd-W",
"density": 10.446177854672689,
"density_atomic": 0.0816238003774639,
"volume": 49.00531439974937,
"volume_molar": 7.377922532583641,
"formula_full": "Be2 Pd1 W1",
"formula_reduced": "Be2PdW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3480144749999994,
"spacegroup": 119
},
{
"id": "jvasp-74513",
"created_at": "2022-09-04T14:35:50.008268Z",
"updated_at": "2022-09-04T14:35:50.008287Z",
"structure_string": "Be1 Fe1 W1\n1.0\n1.342042 -2.324485 -0.000000\n1.342042 2.324485 -0.000000\n-0.000000 0.000000 5.890740\nBe Fe W\n1 1 1\ndirect\n0.000000 0.000000 0.978695 Be\n0.333332 0.666667 0.684646 Fe\n0.666667 0.333332 0.336659 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Fe",
"W"
],
"chemical_system": "Be-Fe-W",
"density": 11.236401676055964,
"density_atomic": 0.08162600638453546,
"volume": 36.75299249441619,
"volume_molar": 7.3777231384199276,
"formula_full": "Be1 Fe1 W1",
"formula_reduced": "BeFeW",
"formula_anonymous": "ABC",
"energy_above_hull": 3.999693866666666,
"spacegroup": 156
},
{
"id": "jvasp-13865",
"created_at": "2022-09-04T14:36:36.324526Z",
"updated_at": "2022-09-04T14:36:36.324553Z",
"structure_string": "Pr2 B6\n1.0\n2.837569 -4.914813 -0.000000\n2.837569 4.914813 0.000000\n-0.000000 0.000000 3.513723\nPr B\n2 6\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.749999 Pr\n0.209177 0.104612 0.250000 B\n0.104612 0.895435 0.749999 B\n0.790823 0.895388 0.749999 B\n0.895388 0.104566 0.250000 B\n0.895435 0.790823 0.250000 B\n0.104566 0.209177 0.749999 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"B"
],
"chemical_system": "B-Pr",
"density": 5.873927306546504,
"density_atomic": 0.08162797835650226,
"volume": 98.00561230440839,
"volume_molar": 7.377544907089191,
"formula_full": "Pr2 B6",
"formula_reduced": "PrB3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.769084400000001,
"spacegroup": 194
},
{
"id": "jvasp-17451",
"created_at": "2022-09-04T14:37:34.008755Z",
"updated_at": "2022-09-04T14:37:34.008770Z",
"structure_string": "Pr2 B6\n1.0\n2.837569 -4.914813 -0.000000\n2.837569 4.914813 0.000000\n-0.000000 0.000000 3.513723\nPr B\n2 6\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.749999 Pr\n0.209177 0.104612 0.250000 B\n0.104612 0.895435 0.749999 B\n0.790823 0.895388 0.749999 B\n0.895388 0.104566 0.250000 B\n0.895435 0.790823 0.250000 B\n0.104566 0.209177 0.749999 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"B"
],
"chemical_system": "B-Pr",
"density": 5.873927306546504,
"density_atomic": 0.08162797835650226,
"volume": 98.00561230440839,
"volume_molar": 7.377544907089191,
"formula_full": "Pr2 B6",
"formula_reduced": "PrB3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.769084400000001,
"spacegroup": 194
},
{
"id": "jvasp-89932",
"created_at": "2022-09-04T14:36:17.091098Z",
"updated_at": "2022-09-04T14:36:17.091116Z",
"structure_string": "Ba1 Y1 Co2 O5\n1.0\n-0.000000 -3.868348 0.000000\n-3.868344 0.000000 0.000000\n0.000000 0.000000 -7.367835\nBa Y Co O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.732441 Co\n0.500000 0.500000 0.267560 Co\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.307760 O\n0.000000 0.500000 0.692241 O\n0.500000 0.000000 0.692243 O\n0.500000 0.000000 0.307757 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.387383672377883,
"density_atomic": 0.08163041299029304,
"volume": 110.25302543881803,
"volume_molar": 7.3773248712047,
"formula_full": "Ba1 Y1 Co2 O5",
"formula_reduced": "BaYCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.548885635555556,
"spacegroup": 123
},
{
"id": "jvasp-117015",
"created_at": "2022-09-04T14:38:49.190248Z",
"updated_at": "2022-09-04T14:38:49.190281Z",
"structure_string": "Na6 B4 P2 O10 F8\n1.0\n6.940446 0.000893 0.000000\n-3.695055 5.875063 0.000000\n-0.000000 -0.000000 9.012267\nNa B P O F\n6 4 2 10 8\ndirect\n0.185701 0.814298 -0.000000 Na\n0.185701 0.814298 0.500000 Na\n0.806593 0.193407 -0.000000 Na\n0.806593 0.193407 0.500000 Na\n0.485444 0.514555 -0.000000 Na\n0.485444 0.514555 0.500000 Na\n0.832423 0.619055 0.750000 B\n0.380945 0.167576 0.250000 B\n0.945520 0.917725 0.250000 B\n0.082274 0.054480 0.750000 B\n0.615143 0.856285 0.750000 P\n0.143714 0.384856 0.250000 P\n0.508082 0.860185 0.894403 O\n0.139814 0.491917 0.394403 O\n0.508082 0.860185 0.605597 O\n0.139814 0.491917 0.105597 O\n0.628467 0.632967 0.750000 O\n0.874986 0.065449 0.750000 O\n0.934550 0.125014 0.250000 O\n0.042326 0.830764 0.750000 O\n0.169234 0.957673 0.250000 O\n0.367032 0.371532 0.250000 O\n0.513686 0.184411 0.379049 F\n0.823352 0.786573 0.119942 F\n0.213426 0.176648 0.880058 F\n0.823352 0.786573 0.380058 F\n0.213426 0.176648 0.619943 F\n0.513686 0.184411 0.120951 F\n0.815588 0.486314 0.879049 F\n0.815588 0.486314 0.620951 F\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"B",
"P",
"O",
"F"
],
"chemical_system": "B-F-Na-O-P",
"density": 2.508188176042139,
"density_atomic": 0.08163044317942092,
"volume": 367.50994888097114,
"volume_molar": 7.3773221428720435,
"formula_full": "Na6 B4 P2 O10 F8",
"formula_reduced": "Na3B2PO5F4",
"formula_anonymous": "AB2C3D4E5",
"energy_above_hull": 1.581472419777778,
"spacegroup": 40
},
{
"id": "jvasp-99058",
"created_at": "2022-09-04T14:35:42.754679Z",
"updated_at": "2022-09-04T14:35:42.754705Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.635018 0.000000 0.000000\n0.000000 5.549815 0.000000\n0.000000 0.000000 7.834247\nNa Nb O\n4 4 12\ndirect\n0.200109 0.755784 0.000000 Na\n0.700109 0.244215 0.000000 Na\n0.250443 0.759602 0.500000 Na\n0.750443 0.240397 0.500000 Na\n0.227661 0.255792 0.250718 Nb\n0.727661 0.744207 0.250718 Nb\n0.227661 0.255792 0.749283 Nb\n0.727661 0.744207 0.749283 Nb\n0.178374 0.325658 0.500000 O\n0.678374 0.674342 0.500000 O\n0.491735 0.043870 0.289142 O\n0.907946 0.455508 0.786986 O\n0.407946 0.544491 0.213014 O\n0.407946 0.544491 0.786986 O\n0.907946 0.455508 0.213014 O\n0.491735 0.043870 0.710858 O\n0.991735 0.956129 0.289142 O\n0.991735 0.956129 0.710858 O\n0.710393 0.822332 0.000000 O\n0.210393 0.177667 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.443262742804662,
"density_atomic": 0.08163171518002299,
"volume": 245.0028148482959,
"volume_molar": 7.377207188063281,
"formula_full": "Na4 Nb4 O12",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0354557799999995,
"spacegroup": 26
},
{
"id": "jvasp-57545",
"created_at": "2022-09-04T14:37:15.563113Z",
"updated_at": "2022-09-04T14:37:15.563135Z",
"structure_string": "V2 F6\n1.0\n4.478165 0.069291 2.975748\n1.631193 4.171088 2.975748\n0.099833 0.069291 5.375786\nV F\n2 6\ndirect\n0.500000 0.500000 0.500001 V\n0.000000 0.000000 0.000000 V\n0.120610 0.750000 0.379390 F\n0.750001 0.379389 0.120611 F\n0.620610 0.879390 0.250001 F\n0.249999 0.620610 0.879391 F\n0.879390 0.250000 0.620611 F\n0.379390 0.120610 0.750001 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 3.657813080249829,
"density_atomic": 0.08163252458696779,
"volume": 98.0001542335879,
"volume_molar": 7.377134041204704,
"formula_full": "V2 F6",
"formula_reduced": "VF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2243262618750001,
"spacegroup": 167
},
{
"id": "jvasp-36580",
"created_at": "2022-09-04T14:37:51.026662Z",
"updated_at": "2022-09-04T14:37:51.026680Z",
"structure_string": "Ti4 Zn4 N8\n1.0\n5.246575 0.000000 0.000000\n0.000000 5.688592 0.000000\n0.000000 0.000000 6.566827\nTi Zn N\n4 4 8\ndirect\n0.996472 0.083124 0.625681 Ti\n0.496472 0.916875 0.374320 Ti\n0.996472 0.583124 0.874320 Ti\n0.496472 0.416876 0.125680 Ti\n0.997815 0.087391 0.123934 Zn\n0.497815 0.912609 0.876067 Zn\n0.997815 0.587391 0.376067 Zn\n0.497815 0.412609 0.623934 Zn\n0.391067 0.089947 0.135177 N\n0.891068 0.910053 0.864823 N\n0.391067 0.589946 0.364823 N\n0.891068 0.410053 0.635177 N\n0.365647 0.070254 0.614539 N\n0.865647 0.929746 0.385462 N\n0.365647 0.570254 0.885462 N\n0.865647 0.429746 0.114538 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"N"
],
"chemical_system": "N-Ti-Zn",
"density": 4.788311802551409,
"density_atomic": 0.08163637948126039,
"volume": 195.99105327389975,
"volume_molar": 7.376785690725519,
"formula_full": "Ti4 Zn4 N8",
"formula_reduced": "TiZnN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.886171308333333,
"spacegroup": 33
}
]
}