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=-volume_molar&page=3454",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3452",
"results": [
{
"id": "jvasp-51700",
"created_at": "2022-09-04T14:38:20.595629Z",
"updated_at": "2022-09-04T14:38:20.595655Z",
"structure_string": "Rb2 P2 H4 O8\n1.0\n-3.780570 3.780570 3.633018\n3.780570 -3.780570 3.633018\n3.780570 3.780570 -3.633018\nRb P H O\n2 2 4 8\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.734301 0.125000 0.109301 H\n0.015699 0.625000 0.890699 H\n0.375000 0.265699 0.390699 H\n0.875000 0.984301 0.609301 H\n0.728279 0.281464 0.266724 O\n0.735261 0.968537 0.946817 O\n0.014739 0.461556 0.733276 O\n0.021721 0.788444 0.053183 O\n0.538444 0.271721 0.553183 O\n0.031463 0.978279 0.766724 O\n0.718537 0.985261 0.446817 O\n0.211556 0.264739 0.233276 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.9173790098758587,
"density_atomic": 0.07703318849939277,
"volume": 207.7026838909326,
"volume_molar": 7.817592491381128,
"formula_full": "Rb2 P2 H4 O8",
"formula_reduced": "RbP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2141574375,
"spacegroup": 122
},
{
"id": "jvasp-8160",
"created_at": "2022-09-04T14:36:44.368218Z",
"updated_at": "2022-09-04T14:36:44.368243Z",
"structure_string": "U1 O3\n1.0\n1.900329 -3.291465 -0.000000\n1.900329 3.291465 0.000000\n-0.000000 0.000000 4.150577\nU O\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666668 0.116279 O\n0.000000 0.000000 0.500000 O\n0.666668 0.333333 0.883722 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 9.14744458840864,
"density_atomic": 0.07703773103847959,
"volume": 51.92260916929185,
"volume_molar": 7.817131526098555,
"formula_full": "U1 O3",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.493919125000001,
"spacegroup": 164
},
{
"id": "jvasp-105945",
"created_at": "2022-09-04T14:36:12.328890Z",
"updated_at": "2022-09-04T14:36:12.328909Z",
"structure_string": "Co1 H6 Cl2\n1.0\n4.544675 0.033650 0.824196\n1.044167 4.423225 0.824196\n-0.052160 -0.041595 5.806331\nCo H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.092296 0.239631 0.773170 H\n0.907706 0.760369 0.226831 H\n0.760369 0.907705 0.226831 H\n0.239632 0.092295 0.773170 H\n0.515146 0.515145 0.557948 H\n0.484856 0.484855 0.442053 H\n0.800036 0.800035 0.777079 Cl\n0.199966 0.199965 0.222922 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"H",
"Cl"
],
"chemical_system": "Cl-Co-H",
"density": 1.9314942760409428,
"density_atomic": 0.07703879018394443,
"volume": 116.82426448430496,
"volume_molar": 7.817024054532815,
"formula_full": "Co1 H6 Cl2",
"formula_reduced": "Co(H3Cl)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.4818698927777776,
"spacegroup": 12
},
{
"id": "jvasp-90680",
"created_at": "2022-09-04T14:35:47.698540Z",
"updated_at": "2022-09-04T14:35:47.698571Z",
"structure_string": "Li1 Ta1 F6\n1.0\n-2.554982 -4.425360 -0.000000\n2.554982 -4.425360 -0.000000\n-0.000000 -2.950239 4.592013\nLi Ta F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ta\n0.878307 0.633827 0.242921 F\n0.633827 0.244946 0.242921 F\n0.244946 0.878307 0.242921 F\n0.121693 0.366173 0.757079 F\n0.366173 0.755055 0.757079 F\n0.755054 0.121694 0.757079 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ta",
"F"
],
"chemical_system": "F-Li-Ta",
"density": 4.82739543227582,
"density_atomic": 0.07704073749855171,
"volume": 103.8411658526814,
"volume_molar": 7.81682646809191,
"formula_full": "Li1 Ta1 F6",
"formula_reduced": "LiTaF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5284351118749998,
"spacegroup": 148
},
{
"id": "jvasp-59548",
"created_at": "2022-09-04T14:37:47.573124Z",
"updated_at": "2022-09-04T14:37:47.573149Z",
"structure_string": "Nd6 F18\n1.0\n3.522688 -6.101473 -0.000000\n3.522688 6.101473 -0.000000\n0.000000 0.000000 7.246470\nNd F\n6 18\ndirect\n0.674468 1.000000 0.753157 Nd\n0.674468 0.674468 0.253157 Nd\n0.000000 0.325532 0.253157 Nd\n1.000000 0.674468 0.753157 Nd\n0.325533 0.325533 0.753157 Nd\n0.325532 0.000000 0.253157 Nd\n0.000000 0.276294 0.584505 F\n1.000001 0.723707 0.084505 F\n0.276294 0.276294 0.084505 F\n0.276294 0.000000 0.584505 F\n0.666667 0.333333 0.205776 F\n0.333333 0.666667 0.705776 F\n0.666667 0.333333 0.705776 F\n0.333333 0.666667 0.205776 F\n0.378971 1.000000 0.922637 F\n0.000000 0.000000 0.327553 F\n0.723707 0.723707 0.584505 F\n0.378970 0.378970 0.422637 F\n0.000000 0.621030 0.422637 F\n1.000000 0.378971 0.922637 F\n0.621030 0.621030 0.922637 F\n0.621030 0.000000 0.422637 F\n0.000000 0.000000 0.827553 F\n0.723707 1.000001 0.084505 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nd",
"F"
],
"chemical_system": "F-Nd",
"density": 6.436403561884625,
"density_atomic": 0.07704525088232896,
"volume": 311.5052482164689,
"volume_molar": 7.816368550992977,
"formula_full": "Nd6 F18",
"formula_reduced": "NdF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0002349999999999,
"spacegroup": 185
},
{
"id": "jvasp-57096",
"created_at": "2022-09-04T14:37:13.365466Z",
"updated_at": "2022-09-04T14:37:13.365493Z",
"structure_string": "Bi2 As2 O8\n1.0\n4.781846 0.000000 -1.904453\n-0.758482 4.721309 -1.904453\n-0.016485 -0.019345 6.914147\nBi As O\n2 2 8\ndirect\n0.625001 0.875000 0.250001 Bi\n0.375001 0.125001 0.750001 Bi\n0.125001 0.375000 0.250001 As\n0.875002 0.625001 0.750002 As\n0.060269 0.700012 0.406439 O\n0.939733 0.299989 0.593564 O\n0.799989 0.153831 0.093563 O\n0.346170 0.206426 0.406438 O\n0.706427 0.560269 0.906439 O\n0.293575 0.439732 0.093563 O\n0.653832 0.793576 0.593564 O\n0.200013 0.846171 0.906439 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-O",
"density": 7.418528845882296,
"density_atomic": 0.07704882378271619,
"volume": 155.74540156305247,
"volume_molar": 7.81600609112855,
"formula_full": "Bi2 As2 O8",
"formula_reduced": "BiAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1403716750000004,
"spacegroup": 88
},
{
"id": "jvasp-26567",
"created_at": "2022-09-04T14:37:49.178899Z",
"updated_at": "2022-09-04T14:37:49.178919Z",
"structure_string": "Bi4 Os4 O14\n1.0\n6.401001 0.000000 3.695619\n2.133666 6.034922 3.695619\n0.000000 0.000000 7.391240\nBi Os O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 -0.000000 0.500000 Bi\n-0.000000 -0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.500000 -0.000000 Os\n0.500000 -0.000000 0.000000 Os\n0.672954 0.077046 0.672954 O\n0.077046 0.077046 0.672954 O\n0.625000 0.625000 0.625000 O\n0.672954 0.672954 0.077046 O\n0.922955 0.922954 0.327046 O\n0.672954 0.077046 0.077046 O\n0.077046 0.672954 0.077046 O\n0.375000 0.375000 0.375000 O\n0.327047 0.922954 0.922954 O\n0.922954 0.327046 0.922954 O\n0.327047 0.922954 0.327046 O\n0.327046 0.327046 0.922954 O\n0.922954 0.327046 0.327046 O\n0.077046 0.672954 0.672954 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Bi",
"Os",
"O"
],
"chemical_system": "Bi-O-Os",
"density": 10.589669353781499,
"density_atomic": 0.07705233781941774,
"volume": 285.5202142154322,
"volume_molar": 7.815649635594026,
"formula_full": "Bi4 Os4 O14",
"formula_reduced": "Bi2Os2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.2562266454545457,
"spacegroup": 227
},
{
"id": "jvasp-103664",
"created_at": "2022-09-04T14:36:41.680451Z",
"updated_at": "2022-09-04T14:36:41.680479Z",
"structure_string": "Yb1 Pa1 O4\n1.0\n3.762446 -0.000000 0.000000\n0.000000 3.762446 0.000000\n-0.000000 -0.000000 5.500754\nYb Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.735572 O\n-0.000000 0.500000 0.264427 O\n0.500000 0.000000 0.264427 O\n-0.000000 0.500000 0.735572 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Pa",
"O"
],
"chemical_system": "O-Pa-Yb",
"density": 9.981604523829763,
"density_atomic": 0.0770528090682624,
"volume": 77.8686730899648,
"volume_molar": 7.815601835703203,
"formula_full": "Yb1 Pa1 O4",
"formula_reduced": "YbPaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9369813000000005,
"spacegroup": 123
},
{
"id": "jvasp-41209",
"created_at": "2022-09-04T14:37:37.404424Z",
"updated_at": "2022-09-04T14:37:37.404450Z",
"structure_string": "Mn1 Si1 Ru2\n1.0\n0.000000 2.960815 2.960815\n2.960815 -0.000000 2.960815\n2.960815 2.960815 0.000000\nMn Si Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Mn\n0.749998 0.749998 0.749998 Si\n0.000000 0.000000 0.000000 Ru\n0.499999 0.499999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ru"
],
"chemical_system": "Mn-Ru-Si",
"density": 9.121773619234132,
"density_atomic": 0.07705417567994692,
"volume": 51.9115280217187,
"volume_molar": 7.815463220336858,
"formula_full": "Mn1 Si1 Ru2",
"formula_reduced": "MnSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.998339210344828,
"spacegroup": 225
},
{
"id": "jvasp-21049",
"created_at": "2022-09-04T14:38:32.043948Z",
"updated_at": "2022-09-04T14:38:32.043967Z",
"structure_string": "Sc6 Si7 Ni16\n1.0\n7.018360 0.000000 4.052052\n2.339454 6.616974 4.052052\n0.000000 -0.000000 8.104105\nSc Si Ni\n6 7 16\ndirect\n0.791832 0.208168 0.791832 Sc\n0.791832 0.208168 0.208167 Sc\n0.791832 0.791832 0.208168 Sc\n0.208168 0.208168 0.791832 Sc\n0.208167 0.791832 0.208168 Sc\n0.208167 0.791832 0.791832 Sc\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 -0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.500000 -0.000000 0.500000 Si\n0.619045 0.619045 0.619045 Ni\n0.831938 0.831938 0.504184 Ni\n0.504185 0.831938 0.831938 Ni\n0.831938 0.504185 0.831937 Ni\n0.495815 0.168062 0.168062 Ni\n0.168062 0.495815 0.168062 Ni\n0.380955 0.380954 0.857134 Ni\n0.831938 0.831938 0.831938 Ni\n0.857135 0.380954 0.380954 Ni\n0.619045 0.142865 0.619045 Ni\n0.142865 0.619045 0.619045 Ni\n0.619045 0.619045 0.142865 Ni\n0.168062 0.168062 0.168062 Ni\n0.168062 0.168062 0.495815 Ni\n0.380954 0.857134 0.380955 Ni\n0.380955 0.380954 0.380954 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ni"
],
"chemical_system": "Ni-Sc-Si",
"density": 6.20094223121962,
"density_atomic": 0.07705447561892542,
"volume": 376.35711316004705,
"volume_molar": 7.8154327981967295,
"formula_full": "Sc6 Si7 Ni16",
"formula_reduced": "Sc6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 2.3742610379310345,
"spacegroup": 225
},
{
"id": "jvasp-21485",
"created_at": "2022-09-04T14:38:33.995744Z",
"updated_at": "2022-09-04T14:38:33.995771Z",
"structure_string": "Sm4 F12\n1.0\n4.411761 -0.000000 0.000000\n0.000000 6.666662 0.000000\n0.000000 0.000000 7.059944\nSm F\n4 12\ndirect\n0.934743 0.631754 0.750000 Sm\n0.434743 0.868245 0.250000 Sm\n0.565257 0.131754 0.750000 Sm\n0.065257 0.368245 0.250000 Sm\n0.076595 0.981073 0.750000 F\n0.576595 0.518927 0.250000 F\n0.423405 0.481073 0.750000 F\n0.923405 0.018927 0.250000 F\n0.391588 0.165539 0.064446 F\n0.891587 0.334461 0.935553 F\n0.108412 0.665539 0.435554 F\n0.608412 0.834460 0.564446 F\n0.608412 0.834460 0.935553 F\n0.108412 0.665539 0.064446 F\n0.891587 0.334461 0.564446 F\n0.391588 0.165539 0.435554 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"F"
],
"chemical_system": "F-Sm",
"density": 6.63288350141079,
"density_atomic": 0.07705455422323043,
"volume": 207.64509199089383,
"volume_molar": 7.815424825576945,
"formula_full": "Sm4 F12",
"formula_reduced": "SmF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117157",
"created_at": "2022-09-04T14:38:48.847509Z",
"updated_at": "2022-09-04T14:38:48.847526Z",
"structure_string": "Na2 V2 H4 I4 O18\n1.0\n5.120652 0.000000 0.000000\n-0.000000 8.400385 3.231343\n-0.000000 0.080014 9.081694\nNa V H I O\n2 2 4 4 18\ndirect\n0.745293 0.038879 0.181373 Na\n0.245293 0.961120 0.818626 Na\n0.723376 0.726881 0.118213 V\n0.223377 0.273118 0.881786 V\n0.038239 0.117330 0.421021 H\n0.538238 0.882669 0.578978 H\n0.221054 0.030781 0.337003 H\n0.721054 0.969218 0.662996 H\n0.806333 0.325389 0.559933 I\n0.306333 0.674610 0.440067 I\n0.887435 0.624742 0.811034 I\n0.387435 0.375257 0.188965 I\n0.444174 0.218160 0.776122 O\n0.944174 0.781839 0.223877 O\n0.038598 0.116213 0.967526 O\n0.538598 0.883786 0.032473 O\n0.981467 0.393757 0.713528 O\n0.481467 0.606242 0.286472 O\n0.941953 0.122609 0.618179 O\n0.441953 0.877390 0.381820 O\n0.652607 0.523053 0.077477 O\n0.548515 0.572380 0.591726 O\n0.091485 0.750499 0.649047 O\n0.591485 0.249500 0.350952 O\n0.152607 0.476946 0.922522 O\n0.088889 0.118331 0.315199 O\n0.959709 0.744399 0.939271 O\n0.459709 0.255600 0.060728 O\n0.048516 0.427619 0.408273 O\n0.588889 0.881668 0.684801 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"V",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O-V",
"density": 4.0412153406256985,
"density_atomic": 0.07705561653572346,
"volume": 389.329179996786,
"volume_molar": 7.815317079720073,
"formula_full": "Na2 V2 H4 I4 O18",
"formula_reduced": "NaVH2I2O9",
"formula_anonymous": "ABC2D2E9",
"energy_above_hull": 2.3919884833333334,
"spacegroup": 4
}
]
}