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=-density_atomic&page=595",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=593",
"results": [
{
"id": "jvasp-71759",
"created_at": "2022-09-04T14:35:50.533403Z",
"updated_at": "2022-09-04T14:35:50.533432Z",
"structure_string": "Ti1 Be1 Co2\n1.0\n-1.680094 1.680094 3.890478\n1.680094 -1.680094 3.890478\n1.680094 1.680094 -3.890478\nTi Be Co\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Co\n0.250000 0.749999 0.499999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Co"
],
"chemical_system": "Be-Co-Ti",
"density": 6.605796039569613,
"density_atomic": 0.091060467262395,
"volume": 43.926855640591135,
"volume_molar": 6.613342695295994,
"formula_full": "Ti1 Be1 Co2",
"formula_reduced": "TiBeCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9780215583333334,
"spacegroup": 119
},
{
"id": "jvasp-22919",
"created_at": "2022-09-04T14:37:30.768069Z",
"updated_at": "2022-09-04T14:37:30.768089Z",
"structure_string": "Mg8 Ta4 O18\n1.0\n2.594970 -4.494620 -0.000000\n2.594970 4.494620 0.000000\n-0.000000 -0.000000 14.123340\nMg Ta O\n8 4 18\ndirect\n0.333333 0.666667 0.983630 Mg\n0.666667 0.333333 0.516370 Mg\n0.666667 0.333333 0.016370 Mg\n0.333333 0.666667 0.483630 Mg\n0.333333 0.666667 0.190877 Mg\n0.666667 0.333333 0.309123 Mg\n0.666667 0.333333 0.809123 Mg\n0.333333 0.666667 0.690877 Mg\n0.000000 0.000000 0.142541 Ta\n0.000000 0.000000 0.357459 Ta\n0.000000 0.000000 0.857459 Ta\n0.000000 0.000000 0.642541 Ta\n0.028411 0.347316 0.584450 O\n0.971589 0.318903 0.915550 O\n0.681097 0.652684 0.915550 O\n0.347316 0.028411 0.915550 O\n0.652684 0.971589 0.084450 O\n0.318903 0.347316 0.084450 O\n0.028411 0.681097 0.084450 O\n0.971589 0.652684 0.415550 O\n0.710692 0.710692 0.250000 O\n0.681097 0.028411 0.415550 O\n0.289308 0.289308 0.750000 O\n0.000000 0.710692 0.750000 O\n0.710692 0.000000 0.750000 O\n0.652684 0.681097 0.584450 O\n0.000000 0.289308 0.250000 O\n0.289308 0.000000 0.250000 O\n0.347316 0.318903 0.415550 O\n0.318903 0.971589 0.584450 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"O"
],
"chemical_system": "Mg-O-Ta",
"density": 6.079714009481841,
"density_atomic": 0.09106018397270507,
"volume": 329.4524422330662,
"volume_molar": 6.6133632695109785,
"formula_full": "Mg8 Ta4 O18",
"formula_reduced": "Mg4Ta2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.4210170733333327,
"spacegroup": 165
},
{
"id": "jvasp-90009",
"created_at": "2022-09-04T14:36:21.747325Z",
"updated_at": "2022-09-04T14:36:21.747357Z",
"structure_string": "Ta3 Fe3 B3\n1.0\n0.000000 0.000000 -3.200757\n-2.985737 -5.171448 0.000000\n-2.985658 5.171402 0.000000\nTa Fe B\n3 3 3\ndirect\n0.500000 0.588488 0.000000 Ta\n0.500000 0.411497 0.411510 Ta\n0.500000 -0.000011 0.588491 Ta\n0.000000 0.239218 0.000000 Fe\n0.000000 0.760769 0.760767 Fe\n0.000000 0.000002 0.239234 Fe\n0.000000 0.333318 0.666675 B\n0.000000 0.666643 0.333325 B\n0.500000 0.999980 0.000000 B\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"B"
],
"chemical_system": "B-Fe-Ta",
"density": 12.47926661600023,
"density_atomic": 0.09105499498120925,
"volume": 98.84136506577484,
"volume_molar": 6.613740148184919,
"formula_full": "Ta3 Fe3 B3",
"formula_reduced": "TaFeB",
"formula_anonymous": "ABC",
"energy_above_hull": 4.121579094444445,
"spacegroup": 189
},
{
"id": "jvasp-21357",
"created_at": "2022-09-04T14:37:14.310854Z",
"updated_at": "2022-09-04T14:37:14.310881Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.168759 0.128755 1.203999\n1.446706 6.468679 0.532737\n0.186351 -0.104935 6.646416\nZn Si Ni O\n2 4 2 12\ndirect\n0.750000 0.239393 0.760609 Zn\n0.250001 0.760609 0.239393 Zn\n0.239977 0.217425 0.389330 Si\n0.260022 0.610671 0.782577 Si\n0.739977 0.389330 0.217425 Si\n0.760023 0.782577 0.610671 Si\n0.249999 0.096371 0.903632 Ni\n0.750000 0.903633 0.096369 Ni\n0.645897 0.960583 0.794533 O\n0.854104 0.205467 0.039419 O\n0.628140 0.623615 0.134386 O\n0.871860 0.865616 0.376386 O\n0.371860 0.376385 0.865615 O\n0.014549 0.610856 0.673118 O\n0.985450 0.389146 0.326883 O\n0.514551 0.673118 0.610857 O\n0.354103 0.039419 0.205468 O\n0.485451 0.326884 0.389144 O\n0.128140 0.134385 0.623615 O\n0.145897 0.794534 0.960582 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Ni",
"O"
],
"chemical_system": "Ni-O-Si-Zn",
"density": 4.17710917185486,
"density_atomic": 0.0910528020489032,
"volume": 219.65276795389863,
"volume_molar": 6.613899434709973,
"formula_full": "Zn2 Si4 Ni2 O12",
"formula_reduced": "ZnSi2NiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1990271000000003,
"spacegroup": 15
},
{
"id": "jvasp-88271",
"created_at": "2022-09-04T14:35:58.486927Z",
"updated_at": "2022-09-04T14:35:58.486964Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.361753 -0.000000 0.000000\n-0.000000 8.771100 0.000000\n0.000000 0.000000 9.341581\nMg Si O\n8 8 24\ndirect\n0.250000 0.263128 0.000000 Mg\n0.250000 0.904375 0.000000 Mg\n0.250000 0.763128 0.500000 Mg\n0.750000 0.595625 0.500000 Mg\n0.750000 0.736872 0.000000 Mg\n0.750000 0.095625 0.000000 Mg\n0.750000 0.236872 0.500000 Mg\n0.250000 0.404375 0.500000 Mg\n0.566388 0.408381 0.207771 Si\n0.566388 0.908381 0.292229 Si\n0.066389 0.091619 0.292229 Si\n0.933611 0.908381 0.707771 Si\n0.066389 0.591619 0.207771 Si\n0.433611 0.091619 0.707771 Si\n0.433611 0.591619 0.792229 Si\n0.933611 0.408381 0.792229 Si\n0.078653 0.593999 0.382200 O\n0.711519 0.526222 0.849958 O\n0.788481 0.526222 0.150042 O\n0.921346 0.406001 0.617799 O\n0.921346 0.906001 0.882200 O\n0.578653 0.906001 0.117800 O\n0.788481 0.026222 0.349958 O\n0.711519 0.026222 0.650042 O\n0.211519 -0.026222 0.650042 O\n0.211519 0.473778 0.849958 O\n0.421347 0.593999 0.617799 O\n0.421347 0.093999 0.882200 O\n0.569892 0.249200 0.122631 O\n0.430108 0.250800 0.622631 O\n0.069892 0.750800 0.122631 O\n0.569892 0.749199 0.377369 O\n0.578653 0.406001 0.382200 O\n0.288481 -0.026222 0.349958 O\n0.430108 0.750800 0.877369 O\n0.069892 0.250800 0.377369 O\n0.078653 0.093999 0.117800 O\n0.288481 0.473778 0.150042 O\n0.930108 0.249200 0.877369 O\n0.930108 0.749199 0.622631 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.035586864968513,
"density_atomic": 0.09104974661672542,
"volume": 439.32027804954026,
"volume_molar": 6.614121382841675,
"formula_full": "Mg8 Si8 O24",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.42328163,
"spacegroup": 60
},
{
"id": "jvasp-21799",
"created_at": "2022-09-04T14:38:06.723493Z",
"updated_at": "2022-09-04T14:38:06.723521Z",
"structure_string": "Pr4 B16\n1.0\n7.274420 0.000000 -0.000000\n0.000000 7.274420 -0.000000\n-0.000000 -0.000000 4.151158\nPr B\n4 16\ndirect\n0.182554 0.682554 0.000000 Pr\n0.682554 0.817446 0.000000 Pr\n0.317446 0.182554 0.000000 Pr\n0.817446 0.317446 0.000000 Pr\n0.173636 0.961134 0.500000 B\n0.038866 0.173636 0.500000 B\n0.411535 0.911535 0.500000 B\n0.911535 0.588465 0.500000 B\n0.088465 0.411535 0.500000 B\n0.588465 0.088465 0.500000 B\n0.500000 0.500000 0.205464 B\n0.500000 0.500000 0.794536 B\n0.826364 0.038866 0.500000 B\n0.000000 0.000000 0.205464 B\n0.461134 0.673636 0.500000 B\n0.538866 0.326364 0.500000 B\n0.673636 0.538866 0.500000 B\n0.326364 0.461134 0.500000 B\n0.000000 0.000000 0.794536 B\n0.961134 0.826364 0.500000 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pr",
"B"
],
"chemical_system": "B-Pr",
"density": 5.568249610920733,
"density_atomic": 0.09104665354713927,
"volume": 219.66760139783753,
"volume_molar": 6.614346080146753,
"formula_full": "Pr4 B16",
"formula_reduced": "PrB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.061074036666668,
"spacegroup": 127
},
{
"id": "jvasp-120817",
"created_at": "2022-09-04T14:38:52.121144Z",
"updated_at": "2022-09-04T14:38:52.121168Z",
"structure_string": "B3 As1\n1.0\n3.051027 0.027033 1.086846\n1.041404 -4.829059 0.075201\n-2.093177 -0.752476 -3.766753\nB As\n3 1\ndirect\n0.269586 0.917501 0.113576 B\n0.817838 0.846339 0.150065 B\n0.151539 0.731649 0.706692 B\n0.923048 0.406907 0.868185 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"As"
],
"chemical_system": "As-B",
"density": 4.057540677676034,
"density_atomic": 0.09104437484312775,
"volume": 43.93461986961987,
"volume_molar": 6.614511627298593,
"formula_full": "B3 As1",
"formula_reduced": "B3As",
"formula_anonymous": "AB3",
"energy_above_hull": 4.031039875,
"spacegroup": 8
},
{
"id": "jvasp-66781",
"created_at": "2022-09-04T14:36:20.498097Z",
"updated_at": "2022-09-04T14:36:20.498125Z",
"structure_string": "Ti1 Mn1 Be2\n1.0\n-1.721518 1.721518 3.706192\n1.721518 -1.721518 3.706192\n1.721518 1.721518 -3.706192\nTi Mn Be\n1 1 2\ndirect\n0.750000 0.250000 0.500001 Ti\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Be"
],
"chemical_system": "Be-Mn-Ti",
"density": 4.5667864850620035,
"density_atomic": 0.09104350098546975,
"volume": 43.93504156478327,
"volume_molar": 6.614575114989388,
"formula_full": "Ti1 Mn1 Be2",
"formula_reduced": "TiMnBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.933561943678161,
"spacegroup": 119
},
{
"id": "jvasp-117448",
"created_at": "2022-09-04T14:38:27.574975Z",
"updated_at": "2022-09-04T14:38:27.574999Z",
"structure_string": "V8 O8 F8\n1.0\n4.613674 -0.008737 0.000004\n-0.115877 9.352417 0.000014\n-0.000000 -0.000000 6.109553\nV O F\n8 8 8\ndirect\n0.999997 0.499999 -0.000001 V\n0.000001 0.000001 -0.000001 V\n0.999997 -0.000001 0.499998 V\n0.000000 0.500001 0.500000 V\n0.533414 0.233029 0.250723 V\n0.466583 0.266972 0.750721 V\n0.533415 0.733027 0.249276 V\n0.466585 0.766970 0.749277 V\n0.806882 0.590933 0.245324 O\n0.806881 0.090934 0.254674 O\n0.696192 0.843798 0.999206 O\n0.696192 0.343798 0.500792 O\n0.303806 0.656201 0.499207 O\n0.303807 0.156201 0.000792 O\n0.193120 0.909066 0.745323 O\n0.193118 0.409066 0.754675 O\n0.213979 0.398530 0.248638 F\n0.213980 0.898529 0.251362 F\n0.294550 0.154388 0.500391 F\n0.294550 0.654388 0.999608 F\n0.705449 0.345612 0.000389 F\n0.705450 0.845611 0.499608 F\n0.786019 0.101471 0.748636 F\n0.786018 0.601471 0.751360 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.330727912873151,
"density_atomic": 0.09104188231396754,
"volume": 263.61493622499444,
"volume_molar": 6.614692718272249,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0755726608333331,
"spacegroup": 14
},
{
"id": "jvasp-48430",
"created_at": "2022-09-04T14:35:42.742876Z",
"updated_at": "2022-09-04T14:35:42.742905Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.184491 4.184491\n4.322237 -0.137746 4.322237\n4.184491 4.184491 0.000000\nLi Co O F\n2 4 2 6\ndirect\n0.979893 0.060322 0.979893 Li\n0.270106 0.189678 0.270106 Li\n0.625000 0.625001 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625001 0.625000 Co\n0.625000 0.625001 0.625000 Co\n0.851565 0.445307 0.851565 O\n0.398434 0.804694 0.398434 O\n0.381903 0.354358 0.381903 F\n0.881836 0.354358 0.381903 F\n0.868096 0.895643 0.368163 F\n0.381903 0.354358 0.881836 F\n0.368163 0.895643 0.868096 F\n0.868096 0.895643 0.868096 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.2718911907857615,
"density_atomic": 0.09104129931072923,
"volume": 153.7763641994738,
"volume_molar": 6.614735076930399,
"formula_full": "Li2 Co4 O2 F6",
"formula_reduced": "LiCo2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.2471294496428569,
"spacegroup": 166
},
{
"id": "jvasp-103816",
"created_at": "2022-09-04T14:36:53.055839Z",
"updated_at": "2022-09-04T14:36:53.055849Z",
"structure_string": "H4 C4 S2 O4\n1.0\n3.949018 -0.021007 0.006739\n0.050083 4.510294 0.644102\n-0.006415 -0.048289 8.626316\nH C S O\n4 4 2 4\ndirect\n0.976299 0.209538 0.932661 H\n0.357235 0.177591 0.050146 H\n0.857090 0.822408 0.454238 H\n0.476063 0.794981 0.571729 H\n0.071421 0.676882 0.057845 C\n0.571284 0.326354 0.446540 C\n0.080926 0.178721 0.051162 C\n0.580782 0.824456 0.453227 C\n0.302156 0.717322 0.896696 S\n0.801917 0.283486 0.607681 S\n0.461680 0.589266 0.371120 O\n0.962329 0.901132 0.133589 O\n0.962064 0.415098 0.133352 O\n0.462528 0.103262 0.370723 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.945881263456957,
"density_atomic": 0.09104063583237672,
"volume": 153.77748487803498,
"volume_molar": 6.614783283244987,
"formula_full": "H4 C4 S2 O4",
"formula_reduced": "H2C2SO2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8469824285714287,
"spacegroup": 4
},
{
"id": "jvasp-23458",
"created_at": "2022-09-04T14:37:42.391930Z",
"updated_at": "2022-09-04T14:37:42.391952Z",
"structure_string": "V8 C4\n1.0\n4.534511 -0.000000 0.000000\n-0.000000 5.044752 0.000000\n0.000000 0.000000 5.762339\nV C\n8 4\ndirect\n0.242872 0.075835 0.883512 V\n0.742872 0.924165 0.616488 V\n0.257128 0.575835 0.616488 V\n0.757128 0.424165 0.883512 V\n0.242872 0.575835 0.116488 V\n0.742872 0.424165 0.383512 V\n0.257128 0.075835 0.383512 V\n0.757128 0.924165 0.116488 V\n0.500000 0.750000 0.873246 C\n0.000000 0.250000 0.626755 C\n0.500000 0.250000 0.126755 C\n0.000000 0.750000 0.373246 C\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.739045994674612,
"density_atomic": 0.09103578903834467,
"volume": 131.81629034868416,
"volume_molar": 6.615135457840045,
"formula_full": "V8 C4",
"formula_reduced": "V2C",
"formula_anonymous": "AB2",
"energy_above_hull": 4.197009466666668,
"spacegroup": 60
}
]
}