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=-formula_anonymous&page=163",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=161",
"results": [
{
"id": "jvasp-12919",
"created_at": "2022-09-04T14:37:07.581104Z",
"updated_at": "2022-09-04T14:37:07.581124Z",
"structure_string": "Cu2 Pt2 F12\n1.0\n4.941826 0.032307 0.039874\n2.442696 4.296514 0.042678\n2.385364 1.393436 9.308566\nCu Pt F\n2 2 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.750071 0.749935 0.749999 Pt\n0.249930 0.250065 0.250002 Pt\n0.882172 0.213276 0.373510 F\n0.117829 0.786725 0.626491 F\n0.531028 0.882320 0.373503 F\n0.468972 0.117681 0.626498 F\n0.382319 0.713169 0.873510 F\n0.617681 0.286832 0.126491 F\n0.713286 0.031058 0.873467 F\n0.286715 0.968943 0.126533 F\n0.031189 0.382192 0.873494 F\n-0.031189 0.617808 0.126507 F\n0.786862 0.468827 0.626520 F\n0.213140 0.531174 0.373480 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Pt",
"F"
],
"chemical_system": "Cu-F-Pt",
"density": 6.3026200638936345,
"density_atomic": 0.08148832052987866,
"volume": 196.34715620545168,
"volume_molar": 7.390188828093359,
"formula_full": "Cu2 Pt2 F12",
"formula_reduced": "CuPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.004172943125,
"spacegroup": 148
},
{
"id": "jvasp-102701",
"created_at": "2022-09-04T14:37:14.041147Z",
"updated_at": "2022-09-04T14:37:14.041181Z",
"structure_string": "Nb6 Ga1 Ge1\n1.0\n5.186762 -0.000000 0.000000\n0.000000 5.186762 0.000000\n0.000000 0.000000 5.186762\nNb Ga Ge\n6 1 1\ndirect\n-0.000000 0.500000 0.751312 Nb\n0.500000 0.248687 -0.000000 Nb\n0.751312 0.000000 0.500000 Nb\n-0.000000 0.500000 0.248687 Nb\n0.500000 0.751312 -0.000000 Nb\n0.248687 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Nb",
"density": 8.327887865511558,
"density_atomic": 0.0573325192854039,
"volume": 139.5368649365578,
"volume_molar": 10.503883023213245,
"formula_full": "Nb6 Ga1 Ge1",
"formula_reduced": "Nb6GaGe",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.825985584375,
"spacegroup": 200
},
{
"id": "jvasp-24612",
"created_at": "2022-09-04T14:37:14.973403Z",
"updated_at": "2022-09-04T14:37:14.973430Z",
"structure_string": "N2 Cl2 O12\n1.0\n5.437975 -0.044540 1.742357\n0.931225 5.357832 1.742357\n0.067808 0.056566 7.169556\nN Cl O\n2 2 12\ndirect\n0.834724 0.165276 0.750001 N\n0.165275 0.834724 0.250001 N\n0.679485 0.320514 0.250001 Cl\n0.320514 0.679486 0.750001 Cl\n0.301702 0.971837 0.202795 O\n0.028162 0.698297 0.297207 O\n0.250270 0.856599 0.875660 O\n0.143401 0.749729 0.624342 O\n0.749728 0.143401 0.124342 O\n0.856598 0.250271 0.375660 O\n0.572231 0.694744 0.621110 O\n0.305255 0.427769 0.878892 O\n0.427768 0.305256 0.378892 O\n0.694743 0.572231 0.121110 O\n0.971837 0.301703 0.702795 O\n0.698297 0.028163 0.797207 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 2.3212812268298473,
"density_atomic": 0.07688413093075203,
"volume": 208.10536330846836,
"volume_molar": 7.832748692215848,
"formula_full": "N2 Cl2 O12",
"formula_reduced": "NClO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8854572896875004,
"spacegroup": 15
},
{
"id": "jvasp-31176",
"created_at": "2022-09-04T14:37:26.884711Z",
"updated_at": "2022-09-04T14:37:26.884746Z",
"structure_string": "Cd1 Pb1 F6\n1.0\n5.980304 0.083589 0.056662\n3.584829 4.787486 0.056662\n3.584829 1.825586 4.426112\nCd Pb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Cd\n0.000000 0.000000 0.000000 Pb\n0.074613 0.406522 0.759517 F\n0.406520 0.759519 0.074612 F\n0.759517 0.074614 0.406520 F\n0.240482 0.925389 0.593478 F\n0.593479 0.240484 0.925386 F\n0.925386 0.593481 0.240481 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Pb",
"F"
],
"chemical_system": "Cd-F-Pb",
"density": 5.7975358590988115,
"density_atomic": 0.06441598292020712,
"volume": 124.1927800730713,
"volume_molar": 9.348830037196981,
"formula_full": "Cd1 Pb1 F6",
"formula_reduced": "CdPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-103725",
"created_at": "2022-09-04T14:37:07.955721Z",
"updated_at": "2022-09-04T14:37:07.955751Z",
"structure_string": "Bi1 Pd6 Se1\n1.0\n4.388435 -0.005148 6.564502\n1.988327 3.912153 6.564502\n-0.008402 -0.005148 7.896263\nBi Pd Se\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.616338 0.616336 0.616337 Pd\n0.132424 0.132424 0.132424 Pd\n0.867576 0.867574 0.867575 Pd\n0.383663 0.383662 0.383663 Pd\n0.255864 0.255863 0.255864 Pd\n0.744137 0.744135 0.744136 Pd\n0.500000 0.499999 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"Se"
],
"chemical_system": "Bi-Pd-Se",
"density": 11.316694727000478,
"density_atomic": 0.05884826041782083,
"volume": 135.9428459431128,
"volume_molar": 10.233336919805252,
"formula_full": "Bi1 Pd6 Se1",
"formula_reduced": "BiPd6Se",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.7693089833333338,
"spacegroup": 166
},
{
"id": "jvasp-8824",
"created_at": "2022-09-04T14:37:06.533459Z",
"updated_at": "2022-09-04T14:37:06.533479Z",
"structure_string": "Zn1 Cr1 F6\n1.0\n5.323259 0.068403 0.047161\n2.994759 4.401497 0.047160\n2.994759 1.609310 4.097014\nZn Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.499999 Cr\n0.122511 0.406371 0.733642 F\n0.406371 0.733644 0.122510 F\n0.733644 0.122510 0.406370 F\n0.266357 0.877490 0.593629 F\n0.593630 0.266357 0.877489 F\n0.877490 0.593630 0.266356 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zn",
"density": 4.071805421088662,
"density_atomic": 0.08477600771657785,
"volume": 94.36632150390362,
"volume_molar": 7.103590888749031,
"formula_full": "Zn1 Cr1 F6",
"formula_reduced": "ZnCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.024057436875,
"spacegroup": 148
},
{
"id": "jvasp-8251",
"created_at": "2022-09-04T14:37:06.238670Z",
"updated_at": "2022-09-04T14:37:06.238686Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.435646 0.042808 2.901300\n1.590998 4.140714 2.901300\n0.061667 0.042808 5.299877\nMg Cr F\n1 1 6\ndirect\n0.500001 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.360943 0.116720 0.762236 F\n0.116721 0.762236 0.360942 F\n0.237765 0.639058 0.883280 F\n0.883281 0.237764 0.639058 F\n0.639059 0.883280 0.237763 F\n0.762237 0.360942 0.116719 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.295163334283795,
"density_atomic": 0.08342542018280588,
"volume": 95.89403304736143,
"volume_molar": 7.218592063191278,
"formula_full": "Mg1 Cr1 F6",
"formula_reduced": "MgCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.066783518125,
"spacegroup": 148
},
{
"id": "jvasp-8349",
"created_at": "2022-09-04T14:37:07.747488Z",
"updated_at": "2022-09-04T14:37:07.747499Z",
"structure_string": "Zn1 Co1 F6\n1.0\n4.354231 0.081312 2.891265\n1.592691 4.053303 2.891265\n0.116953 0.081312 5.225424\nZn Co F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zn\n0.000000 0.000000 0.000000 Co\n0.382788 0.083150 0.770895 F\n0.083150 0.770894 0.382790 F\n0.229105 0.617210 0.916851 F\n0.916850 0.229104 0.617212 F\n0.617211 0.916849 0.229107 F\n0.770895 0.382788 0.083151 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zn",
"Co",
"F"
],
"chemical_system": "Co-F-Zn",
"density": 4.4192122601055965,
"density_atomic": 0.08933101624283048,
"volume": 89.55456163459982,
"volume_molar": 6.741377198295697,
"formula_full": "Zn1 Co1 F6",
"formula_reduced": "ZnCoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00152,
"spacegroup": 148
},
{
"id": "jvasp-56556",
"created_at": "2022-09-04T14:38:31.708720Z",
"updated_at": "2022-09-04T14:38:31.708756Z",
"structure_string": "Ba2 Th2 Br12\n1.0\n4.570330 0.000000 0.000000\n0.000000 9.486416 0.000000\n0.000000 -0.000000 11.601913\nBa Th Br\n2 2 12\ndirect\n0.500000 0.250000 0.252193 Ba\n0.500000 0.750000 0.747807 Ba\n0.000000 0.250000 0.731589 Th\n0.000000 0.750000 0.268411 Th\n0.000000 0.535571 0.849846 Br\n0.000000 0.250000 0.459968 Br\n0.500000 0.750000 0.089483 Br\n0.500000 0.250000 0.910516 Br\n0.000000 0.750000 0.540032 Br\n0.500000 0.927956 0.362371 Br\n0.000000 0.964430 0.849846 Br\n0.000000 0.464430 0.150154 Br\n0.500000 0.072044 0.637629 Br\n0.500000 0.427956 0.637629 Br\n0.000000 0.035571 0.150154 Br\n0.500000 0.572044 0.362371 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Th",
"Br"
],
"chemical_system": "Ba-Br-Th",
"density": 5.604018200799351,
"density_atomic": 0.0318083142480449,
"volume": 503.0131391192302,
"volume_molar": 18.932599549409165,
"formula_full": "Ba2 Th2 Br12",
"formula_reduced": "BaThBr6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.135684525,
"spacegroup": 51
},
{
"id": "jvasp-110566",
"created_at": "2022-09-04T14:38:39.396123Z",
"updated_at": "2022-09-04T14:38:39.396151Z",
"structure_string": "Mg6 Cd1 In1\n1.0\n6.303151 0.000000 0.000000\n-3.151575 5.458689 -0.000000\n0.000000 0.000000 5.146493\nMg Cd In\n6 1 1\ndirect\n0.667909 0.833955 0.500000 Mg\n0.166045 0.833955 0.500000 Mg\n0.166045 0.332090 0.500000 Mg\n0.335952 0.167976 0.000000 Mg\n0.832024 0.167976 0.000000 Mg\n0.832023 0.664048 0.000000 Mg\n0.666667 0.333333 0.500000 Cd\n0.333333 0.666667 0.000000 In\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"In"
],
"chemical_system": "Cd-In-Mg",
"density": 3.498397626576347,
"density_atomic": 0.045178575933508165,
"volume": 177.075081157362,
"volume_molar": 13.32963829772572,
"formula_full": "Mg6 Cd1 In1",
"formula_reduced": "Mg6CdIn",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-110525",
"created_at": "2022-09-04T14:38:39.205054Z",
"updated_at": "2022-09-04T14:38:39.205070Z",
"structure_string": "V6 Ga1 Si1\n1.0\n4.738906 0.000000 -0.000000\n0.000000 4.738906 -0.000000\n0.000000 0.000000 4.738906\nV Ga Si\n6 1 1\ndirect\n0.000000 0.500000 0.757780 V\n0.500000 0.242220 0.000000 V\n0.757780 0.000000 0.500000 V\n0.000000 0.500000 0.242220 V\n0.500000 0.757780 0.000000 V\n0.242220 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ga",
"Si"
],
"chemical_system": "Ga-Si-V",
"density": 6.295244582599623,
"density_atomic": 0.07517193064081061,
"volume": 106.4227023544986,
"volume_molar": 8.011156170479676,
"formula_full": "V6 Ga1 Si1",
"formula_reduced": "V6GaSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.163758265625,
"spacegroup": 200
},
{
"id": "jvasp-110620",
"created_at": "2022-09-04T14:38:37.969884Z",
"updated_at": "2022-09-04T14:38:37.969911Z",
"structure_string": "Zr1 Fe1 F6\n1.0\n4.764845 0.120148 3.100937\n1.742792 4.436312 3.100938\n0.171599 0.120148 5.682439\nZr Fe F\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Zr\n0.000000 0.000000 0.000000 Fe\n0.749715 0.378123 0.125690 F\n0.621876 0.874311 0.250285 F\n0.125688 0.749716 0.378124 F\n0.874310 0.250284 0.621878 F\n0.250283 0.621877 0.874312 F\n0.378123 0.125689 0.749717 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zr",
"density": 3.753084587657061,
"density_atomic": 0.06926117815822679,
"volume": 115.50482121057836,
"volume_molar": 8.694828647359206,
"formula_full": "Zr1 Fe1 F6",
"formula_reduced": "ZrFeF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6021689618749999,
"spacegroup": 148
}
]
}