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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4328",
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"results": [
{
"id": "jvasp-9863",
"created_at": "2022-09-04T14:38:13.853627Z",
"updated_at": "2022-09-04T14:38:13.853654Z",
"structure_string": "Ca4 Y2 Bi2 O10\n1.0\n5.984957 0.001363 -0.008168\n0.002601 6.110795 0.093676\n-2.985932 -2.842573 7.886060\nCa Y Bi O\n4 2 2 10\ndirect\n0.333691 0.953209 0.689401 Ca\n0.101303 0.697326 0.241337 Ca\n0.644716 0.197325 0.241417 Ca\n0.859982 0.453255 0.689409 Ca\n0.719577 0.845672 0.471366 Y\n0.256040 0.345623 0.471477 Y\n0.469983 0.545042 0.018410 Bi\n0.053084 0.045167 0.018501 Bi\n0.368825 0.136057 0.965748 O\n0.961519 0.335594 0.200833 O\n0.299147 0.037748 0.257243 O\n0.547458 0.658099 0.601627 O\n0.024190 0.146817 0.547042 O\n0.558607 0.158245 0.602097 O\n0.027127 0.646924 0.547393 O\n0.101345 0.636268 0.965749 O\n0.462713 0.537696 0.257002 O\n0.743685 0.835404 0.200675 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Bi-Ca-O-Y",
"density": 5.247997026789859,
"density_atomic": 0.06209895578355038,
"volume": 289.8599464818712,
"volume_molar": 9.69765221333275,
"formula_full": "Ca4 Y2 Bi2 O10",
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"formula_anonymous": "ABC2D5",
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{
"id": "jvasp-52493",
"created_at": "2022-09-04T14:38:15.486369Z",
"updated_at": "2022-09-04T14:38:15.486393Z",
"structure_string": "Nb2 O4 F2\n1.0\n2.111635 -4.932859 -0.081885\n3.414896 4.458865 -0.350251\n-0.079252 -2.893539 4.518846\nNb O F\n2 4 2\ndirect\n0.683497 0.139694 0.745169 Nb\n0.245167 0.639694 0.183497 Nb\n0.049441 0.414509 0.887136 O\n0.464737 0.400179 0.061313 O\n0.387135 0.914510 0.549442 O\n0.561312 0.900180 0.964739 O\n0.881301 0.409272 0.469845 F\n0.969844 0.909273 0.381302 F\n",
"nsites": 8,
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"elements": [
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],
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"density": 4.078774783161524,
"density_atomic": 0.06827614805640395,
"volume": 117.17122637602638,
"volume_molar": 8.820270228228194,
"formula_full": "Nb2 O4 F2",
"formula_reduced": "NbO2F",
"formula_anonymous": "ABC2",
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"spacegroup": 9
},
{
"id": "jvasp-10250",
"created_at": "2022-09-04T14:38:15.941523Z",
"updated_at": "2022-09-04T14:38:15.941547Z",
"structure_string": "Tl8 Si2 S8\n1.0\n7.264146 0.003583 2.191178\n2.267998 8.141493 0.912047\n-0.017006 0.005720 8.500543\nTl Si S\n8 2 8\ndirect\n0.486510 0.597757 0.372662 Tl\n0.581234 0.992936 0.245249 Tl\n0.081233 0.245249 0.992936 Tl\n0.552717 0.405729 0.981564 Tl\n0.052717 0.981563 0.405730 Tl\n0.576943 0.785731 0.786900 Tl\n0.076942 0.786900 0.785731 Tl\n-0.013491 0.372662 0.597758 Tl\n0.028921 0.619283 0.201251 Si\n0.528921 0.201250 0.619284 Si\n0.204382 0.780463 0.086762 S\n0.352234 0.050389 0.603235 S\n0.844344 0.720682 0.430516 S\n0.203919 0.379148 0.248139 S\n0.703919 0.248139 0.379148 S\n0.704382 0.086761 0.780464 S\n0.852235 0.603235 0.050390 S\n0.344343 0.430515 0.720682 S\n",
"nsites": 18,
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"elements": [
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"Si",
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],
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"density": 6.430645083026793,
"density_atomic": 0.03578846615381872,
"volume": 502.95533546020255,
"volume_molar": 16.827043478524217,
"formula_full": "Tl8 Si2 S8",
"formula_reduced": "Tl4SiS4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.0056665555555553,
"spacegroup": 9
},
{
"id": "jvasp-52516",
"created_at": "2022-09-04T14:38:17.314668Z",
"updated_at": "2022-09-04T14:38:17.314685Z",
"structure_string": "Sb2 O4 F2\n1.0\n1.940611 -4.645563 -0.105064\n3.418359 4.328211 -0.290687\n-0.126070 -2.721856 4.234841\nSb O F\n2 4 2\ndirect\n0.689308 0.150146 0.752785 Sb\n0.252785 0.650146 0.189308 Sb\n0.102210 0.413153 0.818367 O\n0.459049 0.399608 0.126438 O\n0.318368 0.913153 0.602209 O\n0.626438 0.899608 0.959049 O\n0.836312 0.400740 0.457962 F\n0.957961 0.900740 0.336313 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.6229914234055105,
"density_atomic": 0.07840470956576097,
"volume": 102.0346870016794,
"volume_molar": 7.680840594083197,
"formula_full": "Sb2 O4 F2",
"formula_reduced": "SbO2F",
"formula_anonymous": "ABC2",
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"spacegroup": 9
},
{
"id": "jvasp-24912",
"created_at": "2022-09-04T14:38:18.315166Z",
"updated_at": "2022-09-04T14:38:18.315183Z",
"structure_string": "B2 Cl2 O4 F8\n1.0\n4.910119 -0.014181 -0.420832\n-2.117212 4.430224 -0.420832\n-0.066464 -0.105090 9.513142\nB Cl O F\n2 2 4 8\ndirect\n0.580222 0.433707 0.484840 B\n0.433708 0.580221 0.984840 B\n0.932859 0.074059 0.248537 Cl\n0.074060 0.932857 0.748537 Cl\n0.290042 0.867674 0.681498 O\n0.137044 0.976363 0.189578 O\n0.976364 0.137043 0.689578 O\n0.867675 0.290041 0.181498 O\n0.625024 0.484808 0.638656 F\n0.484809 0.625023 0.138656 F\n0.293249 0.431317 0.437794 F\n0.572997 0.154809 0.436401 F\n0.672457 0.813371 0.937397 F\n0.813372 0.672456 0.437397 F\n0.431318 0.293249 0.937793 F\n0.154810 0.572995 0.936401 F\n",
"nsites": 16,
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"elements": [
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"Cl",
"O",
"F"
],
"chemical_system": "B-Cl-F-O",
"density": 2.4842530261561158,
"density_atomic": 0.0775878092357046,
"volume": 206.21796333227397,
"volume_molar": 7.761710015171703,
"formula_full": "B2 Cl2 O4 F8",
"formula_reduced": "BCl(OF2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 9
},
{
"id": "jvasp-53347",
"created_at": "2022-09-04T14:38:19.652245Z",
"updated_at": "2022-09-04T14:38:19.652273Z",
"structure_string": "In4 S6\n1.0\n6.866290 0.042535 -0.019490\n2.269447 6.508719 0.001428\n1.152335 3.246872 5.922660\nIn S\n4 6\ndirect\n0.002176 0.980739 -0.000710 In\n0.502110 0.814769 0.331535 In\n0.498366 0.184957 0.646140 In\n-0.001708 0.665565 0.684708 In\n0.148701 0.600874 0.015412 S\n0.112098 0.986326 0.330164 S\n0.612177 0.151143 0.000665 S\n0.108062 0.301231 0.640121 S\n0.648762 0.451022 0.315418 S\n0.607986 0.776049 0.690710 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"In",
"S"
],
"chemical_system": "In-S",
"density": 4.097548720380228,
"density_atomic": 0.03786627910422139,
"volume": 264.0872099547057,
"volume_molar": 15.90370351262911,
"formula_full": "In4 S6",
"formula_reduced": "In2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8866599879999999,
"spacegroup": 9
},
{
"id": "jvasp-117442",
"created_at": "2022-09-04T14:38:26.464878Z",
"updated_at": "2022-09-04T14:38:26.464889Z",
"structure_string": "V6 O10 F6\n1.0\n7.132392 -0.001744 0.082819\n-1.563249 6.958970 0.082819\n0.026052 0.032546 4.937594\nV O F\n6 10 6\ndirect\n0.344938 0.175039 0.283689 V\n0.681613 0.305512 0.773865 V\n0.175039 0.344938 0.783689 V\n0.824592 0.665935 0.203022 V\n0.305511 0.681613 0.273866 V\n0.665934 0.824593 0.703021 V\n0.325141 0.932329 0.367249 O\n0.060351 0.673456 0.130210 O\n0.574520 0.697873 0.402670 O\n0.212436 0.557424 0.579458 O\n0.697872 0.574521 0.902669 O\n0.297281 0.432528 0.091378 O\n0.432527 0.297282 0.591378 O\n0.932328 0.325143 0.867248 O\n0.557424 0.212437 0.079458 O\n0.673455 0.060352 0.630210 O\n0.186537 0.096148 0.957496 F\n0.096147 0.186538 0.457497 F\n0.791474 0.436886 0.417256 F\n0.908793 0.814515 0.541313 F\n0.436885 0.791475 0.917256 F\n0.814514 0.908794 0.041313 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.928248774818745,
"density_atomic": 0.08978817616620374,
"volume": 245.02112571344105,
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"formula_full": "V6 O10 F6",
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"formula_anonymous": "A3B3C5",
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"spacegroup": 9
},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Ti-Zn",
"density": 3.8174596651642183,
"density_atomic": 0.08308433408136032,
"volume": 192.57541360723917,
"volume_molar": 7.248226547862586,
"formula_full": "Ti2 Zn2 Si2 O10",
"formula_reduced": "TiZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2046381041666665,
"spacegroup": 9
},
{
"id": "jvasp-26749",
"created_at": "2022-09-04T14:38:27.677831Z",
"updated_at": "2022-09-04T14:38:27.677852Z",
"structure_string": "Li2 As2 S4\n1.0\n4.996717 -0.005152 -1.933661\n-0.854949 4.792204 -2.221962\n-0.011052 0.035521 6.524131\nLi As S\n2 2 4\ndirect\n-0.000626 0.762430 0.000615 Li\n0.499405 0.238180 0.000615 Li\n0.686194 0.946291 0.444354 As\n0.186193 0.498062 0.444352 As\n0.524613 0.759770 0.039787 S\n0.024617 0.280017 0.039790 S\n0.283602 0.975856 0.522386 S\n0.783602 0.546530 0.522384 S\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "As-Li-S",
"density": 3.097230196258672,
"density_atomic": 0.05110384009720457,
"volume": 156.54400891954904,
"volume_molar": 11.784125710602748,
"formula_full": "Li2 As2 S4",
"formula_reduced": "LiAsS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5218929375,
"spacegroup": 9
},
{
"id": "jvasp-34447",
"created_at": "2022-09-04T14:38:30.073542Z",
"updated_at": "2022-09-04T14:38:30.073569Z",
"structure_string": "Si4 O8\n1.0\n5.343226 0.029706 -0.598552\n-1.065465 5.236004 -0.598552\n-0.016440 -0.020237 5.485653\nSi O\n4 8\ndirect\n0.954991 0.051856 0.501790 Si\n0.372738 0.527856 0.084583 Si\n0.527857 0.372737 0.584583 Si\n0.051856 0.954989 0.001790 Si\n0.566894 0.484255 0.879934 O\n0.874063 0.898483 0.220142 O\n0.273731 0.787135 0.029130 O\n0.151780 0.265943 0.034892 O\n0.898485 0.874061 0.720142 O\n0.787136 0.273730 0.529130 O\n0.484257 0.566893 0.379934 O\n0.265944 0.151779 0.534892 O\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.07816687339116833,
"volume": 153.51771766472902,
"volume_molar": 7.704210874424471,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4116585333333336,
"spacegroup": 9
},
{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
"In",
"Si",
"Ag",
"Se"
],
"chemical_system": "Ag-In-Se-Si",
"density": 5.417142764406202,
"density_atomic": 0.03788471045690516,
"volume": 580.7092025957429,
"volume_molar": 15.895966175722368,
"formula_full": "In4 Si2 Ag4 Se12",
"formula_reduced": "In2Si(AgSe3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.0589239327272726,
"spacegroup": 9
},
{
"id": "jvasp-57132",
"created_at": "2022-09-04T14:38:30.769460Z",
"updated_at": "2022-09-04T14:38:30.769477Z",
"structure_string": "Ba4 Ti2 O2 F12\n1.0\n6.441905 -0.002509 3.366079\n3.080283 6.565208 1.496959\n-0.009282 -0.013356 7.404776\nBa Ti O F\n4 2 2 12\ndirect\n0.844510 0.823435 0.581446 Ba\n0.498910 0.827115 0.172950 Ba\n0.998911 0.172949 0.827116 Ba\n0.344511 0.581445 0.823436 Ba\n0.911963 0.319440 0.331513 Ti\n0.411963 0.331512 0.319441 Ti\n0.637277 0.393608 0.266159 O\n0.137277 0.266158 0.393609 O\n0.733692 0.601926 0.429411 F\n0.733389 0.237725 0.603771 F\n0.553759 0.055686 0.394288 F\n0.215548 0.847821 0.555742 F\n0.715548 0.555740 0.847822 F\n0.233693 0.429410 0.601927 F\n0.233389 0.603770 0.237726 F\n0.053759 0.394288 0.055687 F\n0.393776 0.930919 0.843709 F\n0.893775 0.843708 0.930921 F\n0.020273 0.048433 0.236705 F\n0.520272 0.236705 0.048434 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Ti",
"O",
"F"
],
"chemical_system": "Ba-F-O-Ti",
"density": 4.79493838199627,
"density_atomic": 0.06381238338773193,
"volume": 313.41879018179793,
"volume_molar": 9.437260356518465,
"formula_full": "Ba4 Ti2 O2 F12",
"formula_reduced": "Ba2TiOF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1958035468333334,
"spacegroup": 9
}
]
}