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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1208",
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"results": [
{
"id": "jvasp-21258",
"created_at": "2022-09-04T14:38:10.358401Z",
"updated_at": "2022-09-04T14:38:10.358429Z",
"structure_string": "Li4 Sb4 O12\n1.0\n4.902322 0.000000 0.000000\n0.000000 5.246696 0.000000\n0.000000 0.000000 8.632335\nLi Sb O\n4 4 12\ndirect\n0.000000 0.750001 0.691571 Li\n0.500000 0.750001 0.808430 Li\n0.000000 0.250000 0.308429 Li\n0.500000 0.250000 0.191571 Li\n0.000000 0.750001 0.094757 Sb\n0.500000 0.250000 0.594757 Sb\n0.000000 0.250000 0.905244 Sb\n0.500000 0.750001 0.405244 Sb\n0.289742 0.424198 0.419020 O\n0.210258 0.424198 0.080981 O\n0.750000 0.086230 0.750000 O\n0.789742 0.075802 0.080981 O\n0.250000 0.913771 0.250000 O\n0.789742 0.575803 0.919020 O\n0.250000 0.413770 0.750000 O\n0.289742 0.924198 0.580981 O\n0.710258 0.075802 0.419020 O\n0.710258 0.575803 0.580981 O\n0.750000 0.586230 0.250000 O\n0.210258 0.924198 0.919020 O\n",
"nsites": 20,
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"elements": [
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"Sb",
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],
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"density": 5.286005991727625,
"density_atomic": 0.09007701266159661,
"volume": 222.0322300777942,
"volume_molar": 6.685546713925913,
"formula_full": "Li4 Sb4 O12",
"formula_reduced": "LiSbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 52
},
{
"id": "jvasp-42991",
"created_at": "2022-09-04T14:38:10.146805Z",
"updated_at": "2022-09-04T14:38:10.146833Z",
"structure_string": "Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.2378454161808925,
"density_atomic": 0.0990926340670987,
"volume": 222.0144837920356,
"volume_molar": 6.077283964338077,
"formula_full": "Li4 Mn4 Cu2 O12",
"formula_reduced": "Li2Mn2CuO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.473018721159874,
"spacegroup": 64
},
{
"id": "jvasp-87874",
"created_at": "2022-09-04T14:35:54.245133Z",
"updated_at": "2022-09-04T14:35:54.245143Z",
"structure_string": "Na1 Zr2 Ti1 F11\n1.0\n5.365721 0.010567 2.038666\n1.007227 5.270347 2.038666\n0.001259 0.001043 7.854119\nNa Zr Ti F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.503148 0.503148 0.766542 Zr\n0.496852 0.496853 0.233458 Zr\n0.000000 -0.000000 0.500000 Ti\n0.808615 0.216991 0.690446 F\n0.783009 0.191385 0.309554 F\n0.191385 0.783009 0.309554 F\n0.216992 0.808615 0.690446 F\n0.500000 0.500000 0.500000 F\n0.328505 0.671496 0.000000 F\n0.671495 0.328505 0.000000 F\n0.247652 0.247652 0.356407 F\n0.752348 0.752348 0.643593 F\n0.263686 0.263685 0.892056 F\n0.736315 0.736316 0.107945 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti-Zr",
"density": 3.4578346230178347,
"density_atomic": 0.06756697988829587,
"volume": 222.00193089580938,
"volume_molar": 8.91284584564238,
"formula_full": "Na1 Zr2 Ti1 F11",
"formula_reduced": "NaZr2TiF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.5976006293888894,
"spacegroup": 12
},
{
"id": "jvasp-10636",
"created_at": "2022-09-04T14:37:28.371484Z",
"updated_at": "2022-09-04T14:37:28.371500Z",
"structure_string": "Sb4 O8\n1.0\n7.120145 -0.357803 -0.253004\n3.250207 5.629524 0.000000\n3.250208 1.876508 5.307566\nSb O\n4 8\ndirect\n0.291450 0.236184 0.236184 Sb\n0.633398 0.108557 0.629023 Sb\n0.633399 0.629022 0.108556 Sb\n0.633399 0.629022 0.629023 Sb\n0.446580 0.351134 0.351135 O\n0.446580 0.351134 0.851151 O\n0.446580 0.851150 0.351135 O\n0.778863 0.407046 0.407046 O\n0.437166 0.854277 0.854278 O\n0.794979 0.433824 0.885600 O\n0.794980 0.885599 0.433824 O\n0.794980 0.885599 0.885600 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Sb",
"density": 4.600367497955818,
"density_atomic": 0.05405360986816927,
"volume": 222.00182428641978,
"volume_molar": 11.141051956913387,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.534424366666667,
"spacegroup": 160
},
{
"id": "jvasp-9679",
"created_at": "2022-09-04T14:38:09.666516Z",
"updated_at": "2022-09-04T14:38:09.666537Z",
"structure_string": "Th2 Ti4 O12\n1.0\n4.942214 -0.006617 1.746992\n1.903739 6.477283 1.569834\n-0.000153 -0.004930 6.931362\nTh Ti O\n2 4 12\ndirect\n0.750000 0.187614 0.812385 Th\n0.250000 0.812385 0.187614 Th\n0.937848 0.352290 0.188888 Ti\n0.562152 0.811111 0.647709 Ti\n0.062152 0.647709 0.811111 Ti\n0.437848 0.188888 0.352290 Ti\n0.971020 0.729587 0.547828 O\n0.528980 0.452171 0.270412 O\n0.156229 0.904114 0.823068 O\n0.469322 0.881636 0.397712 O\n0.656229 0.823068 0.904114 O\n0.471020 0.547828 0.729587 O\n0.028981 0.270412 0.452171 O\n0.969322 0.397712 0.881637 O\n0.530679 0.118363 0.602287 O\n0.030679 0.602287 0.118363 O\n0.843771 0.095885 0.176931 O\n0.343771 0.176931 0.095885 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Th",
"Ti",
"O"
],
"chemical_system": "O-Th-Ti",
"density": 6.339539542849831,
"density_atomic": 0.08108163487306012,
"volume": 221.99848372791766,
"volume_molar": 7.42725620842272,
"formula_full": "Th2 Ti4 O12",
"formula_reduced": "ThTi2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.956414807407408,
"spacegroup": 15
},
{
"id": "jvasp-109503",
"created_at": "2022-09-04T14:38:27.602416Z",
"updated_at": "2022-09-04T14:38:27.602436Z",
"structure_string": "Ba3 Na1\n1.0\n5.401072 -0.042741 -5.422711\n-0.951327 5.316802 -5.422711\n0.036061 0.042741 7.653501\nBa Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.249999 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
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"elements": [
"Ba",
"Na"
],
"chemical_system": "Ba-Na",
"density": 3.2536811679405893,
"density_atomic": 0.018018797925851038,
"volume": 221.9903911715064,
"volume_molar": 33.42143457505682,
"formula_full": "Ba3 Na1",
"formula_reduced": "Ba3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-91269",
"created_at": "2022-09-04T14:36:15.075311Z",
"updated_at": "2022-09-04T14:36:15.075341Z",
"structure_string": "Er4 Mn4 O12\n1.0\n5.229926 0.000000 0.000000\n-0.000000 5.644356 0.000000\n0.000000 0.000000 7.520106\nEr Mn O\n4 4 12\ndirect\n0.979401 0.077183 0.250000 Er\n0.520600 0.577183 0.250000 Er\n0.020599 0.922818 0.750000 Er\n0.479401 0.422818 0.750000 Er\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.884646 0.539036 0.750000 O\n0.384645 0.960965 0.250000 O\n0.693945 0.311329 0.442452 O\n0.693945 0.311329 0.057549 O\n0.193945 0.188672 0.942452 O\n0.806056 0.811329 0.442452 O\n0.306055 0.688672 0.557549 O\n0.306055 0.688672 0.942452 O\n0.806056 0.811329 0.057549 O\n0.193945 0.188672 0.557549 O\n0.115355 0.460965 0.250000 O\n0.615355 0.039036 0.750000 O\n",
"nsites": 20,
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"elements": [
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"Mn",
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],
"chemical_system": "Er-Mn-O",
"density": 8.084494813854766,
"density_atomic": 0.09009404617640149,
"volume": 221.99025184017808,
"volume_molar": 6.6842827196470065,
"formula_full": "Er4 Mn4 O12",
"formula_reduced": "ErMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1555935482758617,
"spacegroup": 62
},
{
"id": "jvasp-88645",
"created_at": "2022-09-04T14:36:16.423631Z",
"updated_at": "2022-09-04T14:36:16.423652Z",
"structure_string": "Er4 V4 O12\n1.0\n5.221251 -0.000000 0.000000\n-0.000000 5.616129 0.000000\n0.000000 0.000000 7.570415\nEr V O\n4 4 12\ndirect\n0.521230 0.572736 0.250000 Er\n0.978770 0.072736 0.250000 Er\n0.478770 0.427264 0.750000 Er\n0.021230 0.927264 0.750000 Er\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.881483 0.544151 0.750000 O\n0.381483 0.955849 0.250000 O\n0.688420 0.305347 0.441100 O\n0.688420 0.305347 0.058901 O\n0.188420 0.194653 0.941100 O\n0.811580 0.805347 0.441100 O\n0.311580 0.694653 0.558901 O\n0.311580 0.694653 0.941100 O\n0.811580 0.805347 0.058901 O\n0.188420 0.194653 0.558901 O\n0.118517 0.455849 0.250000 O\n0.618517 0.044151 0.750000 O\n",
"nsites": 20,
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"elements": [
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"V",
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],
"chemical_system": "Er-O-V",
"density": 7.964961578669162,
"density_atomic": 0.09009457933362104,
"volume": 221.98893815730932,
"volume_molar": 6.68424316373126,
"formula_full": "Er4 V4 O12",
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"spacegroup": 62
},
{
"id": "jvasp-30794",
"created_at": "2022-09-04T14:38:39.081312Z",
"updated_at": "2022-09-04T14:38:39.081329Z",
"structure_string": "Sb4 O8\n1.0\n7.119675 -0.357488 -0.252781\n3.250245 5.629589 0.000000\n3.250246 1.876529 5.307628\nSb O\n4 8\ndirect\n0.291447 0.236185 0.236185 Sb\n0.633398 0.108555 0.629024 Sb\n0.633398 0.629024 0.108555 Sb\n0.633398 0.629024 0.629024 Sb\n0.446569 0.351142 0.351142 O\n0.446569 0.351142 0.851147 O\n0.446570 0.851147 0.351142 O\n0.778885 0.407038 0.407039 O\n0.437146 0.854284 0.854285 O\n0.794993 0.433817 0.885596 O\n0.794994 0.885595 0.433818 O\n0.794994 0.885595 0.885596 O\n",
"nsites": 12,
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"density": 4.600720625645922,
"density_atomic": 0.054057759064163484,
"volume": 221.98478456638728,
"volume_molar": 11.140196826975497,
"formula_full": "Sb4 O8",
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"energy_above_hull": 1.534424366666667,
"spacegroup": 160
},
{
"id": "jvasp-100522",
"created_at": "2022-09-04T14:36:31.254187Z",
"updated_at": "2022-09-04T14:36:31.254219Z",
"structure_string": "Er3 Mg3 In3\n1.0\n7.447301 0.000000 -0.000000\n-3.723651 6.449551 0.000000\n-0.000000 0.000000 4.621467\nEr Mg In\n3 3 3\ndirect\n0.565627 -0.000000 0.000000 Er\n0.000000 0.565627 0.000000 Er\n0.434373 0.434373 0.000000 Er\n0.242377 -0.000000 0.500000 Mg\n0.000000 0.242377 0.500000 Mg\n0.757623 0.757623 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
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"In"
],
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"density": 6.875833541670471,
"density_atomic": 0.040544716182326336,
"volume": 221.9771365404982,
"volume_molar": 14.853084019429106,
"formula_full": "Er3 Mg3 In3",
"formula_reduced": "ErMgIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-36454",
"created_at": "2022-09-04T14:37:20.009118Z",
"updated_at": "2022-09-04T14:37:20.009140Z",
"structure_string": "Sr3 Sb1 P1\n1.0\n6.054589 0.000000 0.000000\n0.000000 6.054589 -0.000000\n0.000000 -0.000000 6.054589\nSr Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
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"P"
],
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"density_atomic": 0.022527655790507462,
"volume": 221.94941393355555,
"volume_molar": 26.732212246147537,
"formula_full": "Sr3 Sb1 P1",
"formula_reduced": "Sr3SbP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.5458721059999999,
"spacegroup": 221
},
{
"id": "jvasp-23537",
"created_at": "2022-09-04T14:37:36.290901Z",
"updated_at": "2022-09-04T14:37:36.290930Z",
"structure_string": "Er4 Ge4 Ir4\n1.0\n4.288015 0.000000 0.000000\n0.000000 6.799972 0.000000\n0.000000 0.000000 7.611584\nEr Ge Ir\n4 4 4\ndirect\n0.749999 0.493712 0.807183 Er\n0.250000 0.006287 0.307183 Er\n0.749999 0.993712 0.692816 Er\n0.250000 0.506287 0.192817 Er\n0.250000 0.790020 0.890296 Ge\n0.250000 0.290020 0.609703 Ge\n0.749999 0.209980 0.109704 Ge\n0.749999 0.709980 0.390296 Ge\n0.250000 0.665460 0.566919 Ir\n0.250000 0.165460 0.933080 Ir\n0.749999 0.834539 0.066919 Ir\n0.749999 0.334539 0.433081 Ir\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Er-Ge-Ir",
"density": 12.932157082473497,
"density_atomic": 0.05406830826074462,
"volume": 221.94147340674974,
"volume_molar": 11.138023277810365,
"formula_full": "Er4 Ge4 Ir4",
"formula_reduced": "ErGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6883690166666665,
"spacegroup": 62
}
]
}