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"results": [
{
"id": "jvasp-109104",
"created_at": "2022-09-04T14:38:14.127966Z",
"updated_at": "2022-09-04T14:38:14.127993Z",
"structure_string": "Rb2 Li1 V1 Cl6\n1.0\n6.932586 -0.000000 0.000000\n-3.466293 6.003796 0.000000\n-0.000000 -0.000000 5.932204\nRb Li V Cl\n2 1 1 6\ndirect\n0.333334 0.666667 0.251603 Rb\n0.666667 0.333334 0.748397 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.838278 0.161723 0.264347 Cl\n0.161724 0.838278 0.735653 Cl\n0.838278 0.676554 0.264347 Cl\n0.161723 0.323446 0.735653 Cl\n0.323446 0.161723 0.264347 Cl\n0.676555 0.838278 0.735653 Cl\n",
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{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
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"formula_full": "Rb4 Li2 V2 O8",
"formula_reduced": "Rb2LiVO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 36
},
{
"id": "jvasp-24425",
"created_at": "2022-09-04T14:38:31.833177Z",
"updated_at": "2022-09-04T14:38:31.833208Z",
"structure_string": "Rb4 Li2 V2 S8\n1.0\n5.610293 -0.000000 1.407999\n2.805147 6.529223 0.703999\n-0.010275 0.000000 11.922291\nRb Li V S\n4 2 2 8\ndirect\n0.446488 0.750000 0.107025 Rb\n0.196487 0.250000 0.607025 Rb\n0.553511 0.250000 0.892975 Rb\n0.803512 0.750000 0.392975 Rb\n0.125000 0.750000 0.750000 Li\n0.874999 0.250000 0.250000 Li\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.197961 0.059288 0.356872 S\n0.802039 0.940712 0.643128 S\n0.445167 0.440712 0.356872 S\n0.257248 0.940712 0.856872 S\n0.554832 0.559288 0.643128 S\n0.885878 0.559288 0.856872 S\n0.742752 0.059288 0.143128 S\n0.114121 0.440712 0.143128 S\n",
"nsites": 16,
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"elements": [
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"S"
],
"chemical_system": "Li-Rb-S-V",
"density": 2.714823636173756,
"density_atomic": 0.0366285136641273,
"volume": 436.81816157530426,
"volume_molar": 16.441127847068163,
"formula_full": "Rb4 Li2 V2 S8",
"formula_reduced": "Rb2LiVS4",
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"spacegroup": 70
},
{
"id": "jvasp-105683",
"created_at": "2022-09-04T14:36:18.821562Z",
"updated_at": "2022-09-04T14:36:18.821588Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n6.663139 0.000000 3.846965\n2.221046 6.282068 3.846965\n0.000000 0.000000 7.693930\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.745849 0.254152 0.254151 Br\n0.254152 0.254152 0.745848 Br\n0.254152 0.745849 0.745847 Br\n0.254152 0.745849 0.254151 Br\n0.745849 0.254152 0.745847 Br\n0.745849 0.745849 0.254150 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"Br"
],
"chemical_system": "Br-Li-Rb-Y",
"density": 3.8474976130846827,
"density_atomic": 0.03105061904485963,
"volume": 322.05477080997133,
"volume_molar": 19.394591622471864,
"formula_full": "Rb2 Li1 Y1 Br6",
"formula_reduced": "Rb2LiYBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-110720",
"created_at": "2022-09-04T14:38:37.643759Z",
"updated_at": "2022-09-04T14:38:37.643779Z",
"structure_string": "Rb2 Li1 Y1 Cl6\n1.0\n6.295958 -0.000000 3.634973\n2.098653 5.935886 3.634973\n-0.000000 -0.000000 7.269946\nRb Li Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.745676 0.254325 0.254324 Cl\n0.254324 0.254325 0.745676 Cl\n0.254324 0.745676 0.745675 Cl\n0.254324 0.745676 0.254324 Cl\n0.745676 0.254325 0.745675 Cl\n0.745675 0.745676 0.254324 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
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"Y",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Y",
"density": 2.9306203278687075,
"density_atomic": 0.036806238940217235,
"volume": 271.6930685648855,
"volume_molar": 16.361739024140718,
"formula_full": "Rb2 Li1 Y1 Cl6",
"formula_reduced": "Rb2LiYCl6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-102093",
"created_at": "2022-09-04T14:36:38.612198Z",
"updated_at": "2022-09-04T14:36:38.612227Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n7.226104 -0.000000 4.171993\n2.408702 6.812836 4.171993\n-0.000000 -0.000000 8.343985\nRb Li Y I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746506 0.253494 0.253494 I\n0.253493 0.253494 0.746507 I\n0.253493 0.746507 0.746506 I\n0.253493 0.746507 0.253493 I\n0.746506 0.253494 0.746507 I\n0.746506 0.746507 0.253493 I\n",
"nsites": 10,
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"elements": [
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"Y",
"I"
],
"chemical_system": "I-Li-Rb-Y",
"density": 4.156472920282219,
"density_atomic": 0.024344134730197396,
"volume": 410.77656325963466,
"volume_molar": 24.737542848585644,
"formula_full": "Rb2 Li1 Y1 I6",
"formula_reduced": "Rb2LiYI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-100356",
"created_at": "2022-09-04T14:36:31.446462Z",
"updated_at": "2022-09-04T14:36:31.446482Z",
"structure_string": "Rb1 Li1 Zn1 S2\n1.0\n3.827374 -0.015962 -6.250551\n-0.317603 3.814207 -6.250551\n0.014749 0.015962 7.329253\nRb Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500000 Zn\n0.650539 0.650540 0.000001 S\n0.349461 0.349461 0.000000 S\n",
"nsites": 5,
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"elements": [
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],
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"density": 3.4212443682910925,
"density_atomic": 0.04641455145607722,
"volume": 107.72483721471647,
"volume_molar": 12.974682661102179,
"formula_full": "Rb1 Li1 Zn1 S2",
"formula_reduced": "RbLiZnS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.1665600799999999,
"spacegroup": 119
},
{
"id": "jvasp-109888",
"created_at": "2022-09-04T14:38:11.428156Z",
"updated_at": "2022-09-04T14:38:11.428179Z",
"structure_string": "Rb2 Lu1 Ag1 Cl6\n1.0\n6.428489 -0.000000 3.711490\n2.142830 6.060837 3.711490\n-0.000000 -0.000000 7.422979\nRb Lu Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Ag\n0.756205 0.243796 0.243795 Cl\n0.243796 0.243796 0.756205 Cl\n0.243795 0.756205 0.756204 Cl\n0.243795 0.756205 0.243795 Cl\n0.756205 0.243796 0.756205 Cl\n0.756205 0.756205 0.243795 Cl\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.8266805757388305,
"density_atomic": 0.03457643861175291,
"volume": 289.2142858403262,
"volume_molar": 17.416891391333195,
"formula_full": "Rb2 Lu1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104797",
"created_at": "2022-09-04T14:38:47.483107Z",
"updated_at": "2022-09-04T14:38:47.483124Z",
"structure_string": "Rb2 Lu1 Cu1 Cl6\n1.0\n6.232370 -0.000000 3.598261\n2.077457 5.875935 3.598261\n-0.000000 -0.000000 7.196521\nRb Lu Cu Cl\n2 1 1 6\ndirect\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Cu\n0.748071 0.251928 0.251929 Cl\n0.251929 0.251928 0.748071 Cl\n0.251929 0.748071 0.748071 Cl\n0.251929 0.748071 0.251929 Cl\n0.748071 0.251928 0.748071 Cl\n0.748072 0.748071 0.251929 Cl\n",
"nsites": 10,
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],
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"density": 3.920152680701358,
"density_atomic": 0.037944356466633265,
"volume": 263.5438028523055,
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"formula_full": "Rb2 Lu1 Cu1 Cl6",
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},
{
"id": "jvasp-24308",
"created_at": "2022-09-04T14:38:18.449454Z",
"updated_at": "2022-09-04T14:38:18.449470Z",
"structure_string": "Rb4 Lu4 P8 O28\n1.0\n0.000000 7.652819 -0.017650\n10.737528 0.000000 0.000000\n0.000000 -2.270803 -8.314006\nRb Lu P O\n4 4 8 28\ndirect\n0.186889 0.683681 0.053626 Rb\n0.186889 0.816319 0.553627 Rb\n0.813112 0.183681 0.446374 Rb\n0.813112 0.316319 0.946374 Rb\n0.232994 0.097053 0.255872 Lu\n0.767007 0.902948 0.744128 Lu\n0.767007 0.597053 0.244128 Lu\n0.232994 0.402948 0.755872 Lu\n0.864506 0.597309 0.677808 P\n0.441912 0.360386 0.186920 P\n0.135494 0.402691 0.322192 P\n0.864506 0.902691 0.177808 P\n0.441912 0.139614 0.686920 P\n0.135494 0.097309 0.822192 P\n0.558089 0.860386 0.313081 P\n0.558089 0.639614 0.813081 P\n0.986099 0.497643 0.779086 O\n0.549421 0.721965 0.270358 O\n0.450579 0.278035 0.729643 O\n0.450579 0.221965 0.229642 O\n0.668125 0.609711 0.983301 O\n0.080692 0.227769 0.754091 O\n0.338897 0.069288 0.805996 O\n0.145065 0.411675 0.499137 O\n0.331876 0.390289 0.016699 O\n0.631677 0.416594 0.228833 O\n0.668124 0.890289 0.483301 O\n0.631677 0.083406 0.728833 O\n0.661104 0.569288 0.694005 O\n0.338896 0.430713 0.305995 O\n0.986098 0.002357 0.279086 O\n0.331876 0.109711 0.516699 O\n0.854936 0.911675 0.000863 O\n0.919309 0.727769 0.745909 O\n0.661104 0.930713 0.194005 O\n0.549422 0.778036 0.770358 O\n0.080691 0.272231 0.254091 O\n0.368323 0.916594 0.271168 O\n0.368324 0.583406 0.771168 O\n0.145065 0.088326 0.999137 O\n0.919309 0.772231 0.245909 O\n0.013902 0.502357 0.220914 O\n0.013902 -0.002357 0.720915 O\n0.854936 0.588326 0.500863 O\n",
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],
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"density_atomic": 0.0643640113468252,
"volume": 683.6118364796467,
"volume_molar": 9.356378873823944,
"formula_full": "Rb4 Lu4 P8 O28",
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"spacegroup": 14
},
{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-Mg-O-Rb",
"density": 3.3143378236098764,
"density_atomic": 0.07103750901116943,
"volume": 337.84968440020066,
"volume_molar": 8.477409813248268,
"formula_full": "Rb4 Mg4 B4 O12",
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"spacegroup": 198
},
{
"id": "jvasp-38268",
"created_at": "2022-09-04T14:38:19.938159Z",
"updated_at": "2022-09-04T14:38:19.938168Z",
"structure_string": "Rb4 Mg4 P4 O16\n1.0\n5.448183 0.000000 0.000000\n0.000000 8.753418 0.000000\n0.000000 0.000000 9.357220\nRb Mg P O\n4 4 4 16\ndirect\n0.230720 0.497481 0.220649 Rb\n0.230720 0.997481 0.279351 Rb\n0.730720 0.002520 0.720649 Rb\n0.730720 0.502520 0.779351 Rb\n0.246522 0.310757 0.580260 Mg\n0.246522 0.810757 0.919740 Mg\n0.746522 0.189243 0.080260 Mg\n0.746522 0.689243 0.419740 Mg\n0.746231 0.294770 0.417377 P\n0.746231 0.794770 0.082623 P\n0.246231 0.205230 0.917377 P\n0.246231 0.705230 0.582623 P\n0.848712 0.243558 0.270825 O\n0.848712 0.743558 0.229175 O\n0.735631 0.470361 0.421952 O\n0.735631 0.970361 0.078048 O\n0.484316 0.229499 0.442242 O\n0.484316 0.729499 0.057758 O\n0.420066 0.765427 0.463558 O\n0.984316 0.270501 0.942242 O\n0.348712 0.256442 0.770825 O\n0.348712 0.756442 0.729175 O\n0.235632 0.029640 0.921952 O\n0.235632 0.529640 0.578048 O\n0.920066 0.234573 0.536442 O\n0.984316 0.770501 0.557758 O\n0.420066 0.265427 0.036442 O\n0.920066 0.734574 0.963558 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 446.24790976533603,
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"formula_full": "Rb4 Mg4 P4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 33
}
]
}