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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3861",
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"results": [
{
"id": "jvasp-109410",
"created_at": "2022-09-04T14:38:28.255868Z",
"updated_at": "2022-09-04T14:38:28.255957Z",
"structure_string": "Cd1 Fe1 P2 S6\n1.0\n6.052712 -0.005796 0.879201\n-3.230110 5.118764 0.879201\n0.032251 0.058421 6.780218\nCd Fe P S\n1 1 2 6\ndirect\n0.668779 0.331219 0.000000 Cd\n0.325410 0.674589 0.000000 Fe\n0.055408 0.054012 0.827459 P\n0.945987 0.944590 0.172541 P\n0.111677 0.419447 0.745105 S\n0.392598 0.053198 0.743267 S\n0.946800 0.607401 0.256733 S\n0.580552 0.888321 0.254895 S\n0.740788 0.768005 0.751532 S\n0.231993 0.259211 0.248469 S\n",
"nsites": 10,
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"formula_full": "Cd1 Fe1 P2 S6",
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"spacegroup": 5
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{
"id": "jvasp-94153",
"created_at": "2022-09-04T14:36:09.778846Z",
"updated_at": "2022-09-04T14:36:09.778874Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n6.077965 0.025174 0.000000\n-3.017181 5.225911 0.000000\n0.000000 0.000000 4.749905\nMg Cu Mo\n6 1 1\ndirect\n0.657335 0.330590 0.250000 Mg\n0.657335 0.826743 0.250000 Mg\n0.324631 0.154402 0.749999 Mg\n0.324631 0.670230 0.749999 Mg\n0.860004 0.180002 0.749999 Mg\n0.851836 0.675919 0.749999 Mg\n0.168455 0.334228 0.250000 Cu\n0.155769 0.827883 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Cu",
"Mo"
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"density": 3.352403201241882,
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"volume": 151.2315539700695,
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"formula_full": "Mg6 Cu1 Mo1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-22879",
"created_at": "2022-09-04T14:37:47.135153Z",
"updated_at": "2022-09-04T14:37:47.135175Z",
"structure_string": "Li8 Zn4 Si4 O16\n1.0\n0.000000 5.069718 -0.008630\n10.688474 0.000000 0.000000\n0.000000 -4.998490 -6.257816\nLi Zn Si O\n8 4 4 16\ndirect\n0.683182 0.663601 0.495092 Li\n0.540991 0.576074 0.741395 Li\n0.459010 0.076074 0.758606 Li\n0.459009 0.423926 0.258605 Li\n0.540991 0.923926 0.241395 Li\n0.316819 0.163601 0.004908 Li\n0.316819 0.336398 0.504908 Li\n0.683182 0.836398 0.995093 Li\n0.190968 0.665785 0.001498 Zn\n0.809033 0.165785 0.498502 Zn\n0.809032 0.334215 -0.001498 Zn\n0.190968 0.834214 0.501499 Zn\n0.065501 0.086688 0.251812 Si\n0.934499 0.586688 0.248188 Si\n0.934500 0.913311 0.748188 Si\n0.065502 0.413312 0.751813 Si\n0.947921 0.941915 0.244940 O\n0.052080 0.441915 0.255060 O\n0.608470 0.911810 0.749130 O\n0.391531 0.411810 0.750871 O\n0.391531 0.088190 0.250870 O\n0.608470 0.588190 0.249130 O\n0.741595 0.340591 0.536362 O\n0.741595 0.159409 0.036362 O\n0.822147 0.839651 0.530539 O\n0.258406 0.840590 0.963639 O\n0.177855 0.339651 0.969462 O\n0.177854 0.160349 0.469461 O\n0.822146 0.660348 0.030539 O\n0.947921 0.558084 0.744940 O\n0.258406 0.659409 0.463638 O\n0.052080 0.058084 0.755060 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Zn",
"density": 3.352292224142598,
"density_atomic": 0.09424049794883466,
"volume": 339.5567796911848,
"volume_molar": 6.3901835103519495,
"formula_full": "Li8 Zn4 Si4 O16",
"formula_reduced": "Li2ZnSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.524409125,
"spacegroup": 14
},
{
"id": "jvasp-118513",
"created_at": "2022-09-04T14:38:34.421021Z",
"updated_at": "2022-09-04T14:38:34.421041Z",
"structure_string": "Sr1 Si1 H2\n1.0\n-0.000000 3.077862 3.077862\n3.077862 -0.000000 3.077862\n3.077862 3.077862 -0.000000\nSr Si H\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Si",
"H"
],
"chemical_system": "H-Si-Sr",
"density": 3.3521775638491675,
"density_atomic": 0.06859343697462558,
"volume": 58.31461691414734,
"volume_molar": 8.779470785561802,
"formula_full": "Sr1 Si1 H2",
"formula_reduced": "SrSiH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9744987275,
"spacegroup": 225
},
{
"id": "jvasp-116149",
"created_at": "2022-09-04T14:38:47.186772Z",
"updated_at": "2022-09-04T14:38:47.186797Z",
"structure_string": "Li1 Te1 H1\n1.0\n3.169536 -0.000000 0.000000\n-0.000000 3.169536 -0.000000\n-0.000000 0.000000 6.683878\nLi Te H\n1 1 1\ndirect\n0.000000 0.000000 0.280609 Li\n0.000000 0.000000 0.691413 Te\n0.000000 0.000000 0.021750 H\n",
"nsites": 3,
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"elements": [
"Li",
"Te",
"H"
],
"chemical_system": "H-Li-Te",
"density": 3.352164567041593,
"density_atomic": 0.04467878586225432,
"volume": 67.14596070826691,
"volume_molar": 13.478747561687088,
"formula_full": "Li1 Te1 H1",
"formula_reduced": "LiTeH",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3260125888888892,
"spacegroup": 99
},
{
"id": "jvasp-48619",
"created_at": "2022-09-04T14:37:02.178123Z",
"updated_at": "2022-09-04T14:37:02.178141Z",
"structure_string": "Li3 Mn3 O1 F7\n1.0\n-0.121244 4.300225 4.300225\n4.300225 -0.121244 4.300225\n4.300225 4.300225 -0.121244\nLi Mn O F\n3 3 1 7\ndirect\n0.999230 0.999230 0.999230 Li\n0.257942 0.257942 0.257942 Li\n0.622501 0.622501 0.622501 Li\n0.613909 0.133007 0.613909 Mn\n0.613909 0.613909 0.133007 Mn\n0.133007 0.613909 0.613909 Mn\n0.386402 0.386402 0.386402 O\n0.865260 0.385726 0.385726 F\n0.385726 0.865260 0.385726 F\n0.385726 0.385726 0.865260 F\n0.866025 0.866025 0.388065 F\n0.866025 0.388065 0.866025 F\n0.866263 0.866263 0.866263 F\n0.388065 0.866025 0.866025 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.352120254745011,
"density_atomic": 0.08445778363985024,
"volume": 165.76328902614364,
"volume_molar": 7.130356138257145,
"formula_full": "Li3 Mn3 O1 F7",
"formula_reduced": "Li3Mn3OF7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 1.248245514402709,
"spacegroup": 160
},
{
"id": "jvasp-12800",
"created_at": "2022-09-04T14:37:51.747270Z",
"updated_at": "2022-09-04T14:37:51.747280Z",
"structure_string": "K12 Al4 Te12\n1.0\n8.616892 -0.032006 0.000000\n-1.771736 8.900650 0.000000\n0.000000 0.000000 13.628248\nK Al Te\n12 4 12\ndirect\n0.733878 0.396294 0.904701 K\n0.293036 0.416771 0.815982 K\n0.233878 0.896294 0.595299 K\n0.766122 0.103705 0.404701 K\n0.793036 0.916771 0.684018 K\n0.206964 0.083228 0.315982 K\n0.706963 0.583228 0.184017 K\n0.266122 0.603705 0.095299 K\n0.157459 0.523595 0.383897 K\n0.342540 0.976404 0.883898 K\n0.842540 0.476404 0.616103 K\n0.657459 0.023595 0.116103 K\n0.900351 0.836106 0.935459 Al\n0.400351 0.336106 0.564541 Al\n0.599648 0.663894 0.435459 Al\n0.099648 0.163894 0.064541 Al\n0.096139 0.231459 0.557718 Te\n0.467736 0.631473 0.613702 Te\n0.032263 0.868527 0.113701 Te\n0.532263 0.368527 0.386299 Te\n0.967736 0.131472 0.886299 Te\n0.457295 0.816653 0.312997 Te\n0.042704 0.683347 0.812997 Te\n0.542705 0.183346 0.687003 Te\n0.957295 0.316653 0.187003 Te\n0.903861 0.768541 0.442282 Te\n0.596138 0.731459 0.942283 Te\n0.403861 0.268541 0.057718 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Al",
"Te"
],
"chemical_system": "Al-K-Te",
"density": 3.3519035269180493,
"density_atomic": 0.026808150331179812,
"volume": 1044.4584819950812,
"volume_molar": 22.46384284482252,
"formula_full": "K12 Al4 Te12",
"formula_reduced": "K3AlTe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-107778",
"created_at": "2022-09-04T14:38:08.791033Z",
"updated_at": "2022-09-04T14:38:08.791066Z",
"structure_string": "K1 Cr2 S4\n1.0\n7.737675 -0.032899 1.799566\n7.089139 3.101097 1.799566\n-0.151830 -0.031419 5.511497\nK Cr S\n1 2 4\ndirect\n0.500000 0.500000 0.500001 K\n0.753737 0.753738 0.193776 Cr\n0.246262 0.246262 0.806226 Cr\n0.354659 0.354659 0.021992 S\n0.645340 0.645341 0.978011 S\n0.828172 0.828173 0.535483 S\n0.171827 0.171827 0.464519 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Cr",
"S"
],
"chemical_system": "Cr-K-S",
"density": 3.3518841774368515,
"density_atomic": 0.052072367046687044,
"volume": 134.42830424289988,
"volume_molar": 11.564945289697832,
"formula_full": "K1 Cr2 S4",
"formula_reduced": "K(CrS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.519281828571429,
"spacegroup": 12
},
{
"id": "jvasp-107880",
"created_at": "2022-09-04T14:35:50.422305Z",
"updated_at": "2022-09-04T14:35:50.422338Z",
"structure_string": "Li2 Mn2 F6\n1.0\n3.209508 -0.000000 0.000000\n0.000000 4.847922 0.000000\n-0.000000 -0.000000 7.569862\nLi Mn F\n2 2 6\ndirect\n0.500000 0.031224 0.750000 Li\n0.500000 0.968777 0.250000 Li\n-0.000000 0.500000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.249080 0.425231 F\n0.500000 0.249080 0.074769 F\n-0.000000 0.259086 0.750000 F\n-0.000000 0.740913 0.250000 F\n0.500000 0.750919 0.925231 F\n0.500000 0.750919 0.574769 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3518521317184966,
"density_atomic": 0.08490200598444157,
"volume": 117.78284722545325,
"volume_molar": 7.09304885105255,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.415747617775862,
"spacegroup": 51
},
{
"id": "jvasp-96987",
"created_at": "2022-09-04T14:35:45.693751Z",
"updated_at": "2022-09-04T14:35:45.693782Z",
"structure_string": "K4 Cd4 Cl12\n1.0\n4.022288 -0.000000 0.000000\n-0.000000 8.735516 0.000000\n0.000000 0.000000 14.543784\nK Cd Cl\n4 4 12\ndirect\n0.750000 0.576439 0.176692 K\n0.250000 0.423562 0.823307 K\n0.750000 0.076439 0.323307 K\n0.250000 0.923562 0.676692 K\n0.250000 0.172238 0.056820 Cd\n0.250000 0.672238 0.443180 Cd\n0.750000 0.327762 0.556820 Cd\n0.750000 0.827763 0.943180 Cd\n0.750000 0.202593 0.714100 Cl\n0.250000 0.797408 0.285900 Cl\n0.750000 0.476533 0.395295 Cl\n0.750000 0.338352 0.989677 Cl\n0.250000 0.661648 0.010323 Cl\n0.750000 0.838352 0.510323 Cl\n0.250000 0.161648 0.489677 Cl\n0.250000 0.023467 0.895295 Cl\n0.750000 0.976533 0.104705 Cl\n0.250000 0.523468 0.604705 Cl\n0.250000 0.297408 0.214100 Cl\n0.750000 0.702593 0.785899 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.351721330365504,
"density_atomic": 0.03913729924680714,
"volume": 511.02146507034774,
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"formula_full": "K4 Cd4 Cl12",
"formula_reduced": "KCdCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-7810",
"created_at": "2022-09-04T14:37:04.671184Z",
"updated_at": "2022-09-04T14:37:04.671203Z",
"structure_string": "Na4 Se4\n1.0\n2.329189 -4.034274 -0.000000\n2.329189 4.034274 -0.000000\n0.000000 -0.000000 10.750501\nNa Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.634405 Se\n0.666667 0.333333 0.134405 Se\n0.666667 0.333333 0.365595 Se\n0.333333 0.666667 0.865595 Se\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.3517106146089777,
"density_atomic": 0.03959689807536698,
"volume": 202.03602779119603,
"volume_molar": 15.208617474373181,
"formula_full": "Na4 Se4",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0703008416666667,
"spacegroup": 194
},
{
"id": "jvasp-36958",
"created_at": "2022-09-04T14:37:57.540384Z",
"updated_at": "2022-09-04T14:37:57.540413Z",
"structure_string": "In2 Ge2 Cl6\n1.0\n6.388760 -0.203297 3.271467\n1.911667 6.099435 3.271467\n-0.286197 -0.203297 7.171948\nIn Ge Cl\n2 2 6\ndirect\n0.264665 0.264665 0.264666 In\n0.764665 0.764664 0.764665 In\n0.002011 0.002011 0.002009 Ge\n0.502011 0.502010 0.502013 Ge\n0.206607 0.864061 0.691156 Cl\n0.864063 0.691156 0.206607 Cl\n0.691156 0.206605 0.864063 Cl\n0.191157 0.364060 0.706606 Cl\n0.706607 0.191157 0.364063 Cl\n0.364063 0.706605 0.191157 Cl\n",
"nsites": 10,
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"elements": [
"In",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-In",
"density": 3.3516004295725423,
"density_atomic": 0.03434758636351438,
"volume": 291.14127246572616,
"volume_molar": 17.53293723834115,
"formula_full": "In2 Ge2 Cl6",
"formula_reduced": "InGeCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0005719999999999,
"spacegroup": 161
}
]
}