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=943",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=941",
"results": [
{
"id": "jvasp-74416",
"created_at": "2022-09-04T14:36:10.617495Z",
"updated_at": "2022-09-04T14:36:10.617518Z",
"structure_string": "K1 Be2 Br1\n1.0\n-2.629569 2.629569 3.720025\n2.629569 -2.629569 3.720025\n2.629569 2.629569 -3.720025\nK Be Br\n1 2 1\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Br"
],
"chemical_system": "Be-Br-K",
"density": 2.2114605166530783,
"density_atomic": 0.03887630664662313,
"volume": 102.89043237463628,
"volume_molar": 15.490516665433017,
"formula_full": "K1 Be2 Br1",
"formula_reduced": "KBe2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.82002357625,
"spacegroup": 216
},
{
"id": "jvasp-120530",
"created_at": "2022-09-04T14:38:52.559506Z",
"updated_at": "2022-09-04T14:38:52.559530Z",
"structure_string": "K4 Ag6 Sb6 S14\n1.0\n13.237749 0.061329 0.000000\n-10.137585 8.512997 0.000000\n-0.000000 -0.000000 6.810045\nK Ag Sb S\n4 6 6 14\ndirect\n0.485759 0.899512 0.686601 K\n0.899511 0.485759 0.686601 K\n0.514241 0.100489 0.186602 K\n0.100489 0.514242 0.186602 K\n0.682068 0.682068 0.366343 Ag\n0.317932 0.317932 0.866342 Ag\n0.403384 0.585998 0.629420 Ag\n0.585998 0.403384 0.629420 Ag\n0.596616 0.414002 0.129420 Ag\n0.414002 0.596616 0.129420 Ag\n0.152652 0.152652 0.330905 Sb\n0.761034 0.017485 0.188371 Sb\n0.847348 0.847348 0.830904 Sb\n0.238966 0.982515 0.688371 Sb\n0.982515 0.238966 0.688371 Sb\n0.017485 0.761035 0.188371 Sb\n0.696105 0.846947 0.613984 S\n0.846946 0.696106 0.613984 S\n0.477537 0.823536 0.195821 S\n0.823536 0.477538 0.195821 S\n0.522463 0.176464 0.695821 S\n0.176464 0.522463 0.695821 S\n0.801832 0.183643 0.928816 S\n0.198169 0.816358 0.428817 S\n0.816358 0.198169 0.428817 S\n0.385031 0.385031 0.518231 S\n0.614969 0.614969 0.018231 S\n0.153054 0.303895 0.113984 S\n0.183642 0.801832 0.928816 S\n0.303895 0.153054 0.113984 S\n",
"nsites": 30,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-K-S-Sb",
"density": 4.267284925691188,
"density_atomic": 0.038876327199782346,
"volume": 771.677834838471,
"volume_molar": 15.49050847589768,
"formula_full": "K4 Ag6 Sb6 S14",
"formula_reduced": "K2Ag3Sb3S7",
"formula_anonymous": "A2B3C3D7",
"energy_above_hull": 1.2421997386666668,
"spacegroup": 36
},
{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.401677288989236,
"density_atomic": 0.0388773435140143,
"volume": 514.4384413196983,
"volume_molar": 15.490103529911119,
"formula_full": "Ba4 P14 Cl2",
"formula_reduced": "Ba2P7Cl",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.35994645075,
"spacegroup": 11
},
{
"id": "jvasp-102921",
"created_at": "2022-09-04T14:36:38.356717Z",
"updated_at": "2022-09-04T14:36:38.356732Z",
"structure_string": "Ca1 Yb1 Hg2\n1.0\n4.554772 -0.000000 2.629698\n1.518258 4.294280 2.629698\n0.000000 0.000000 5.259398\nYb Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Yb",
"density": 9.915969023649778,
"density_atomic": 0.038883643608056725,
"volume": 102.87101796116649,
"volume_molar": 15.48759375716582,
"formula_full": "Ca1 Yb1 Hg2",
"formula_reduced": "CaYbHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104951",
"created_at": "2022-09-04T14:36:41.769522Z",
"updated_at": "2022-09-04T14:36:41.769532Z",
"structure_string": "La2 Sb1 Au3\n1.0\n3.889730 -0.000000 0.000000\n0.000000 4.684985 0.000000\n-0.000000 -0.000000 8.467401\nLa Sb Au\n2 1 3\ndirect\n0.000000 0.000000 0.988591 La\n-0.000000 0.500001 0.513859 La\n0.500000 0.000000 0.334714 Sb\n0.500000 0.500001 0.835652 Au\n0.500000 0.500001 0.159845 Au\n0.500000 0.000000 0.667339 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 10.65891301966097,
"density_atomic": 0.038884226263301375,
"volume": 154.3042147571997,
"volume_molar": 15.48736168548543,
"formula_full": "La2 Sb1 Au3",
"formula_reduced": "La2SbAu3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.0768464683333336,
"spacegroup": 25
},
{
"id": "jvasp-116703",
"created_at": "2022-09-04T14:38:44.305239Z",
"updated_at": "2022-09-04T14:38:44.305266Z",
"structure_string": "Dy4 Cd1 Se7\n1.0\n6.681569 -0.008217 1.751801\n5.498297 3.796336 1.751801\n0.056240 0.017492 12.159036\nDy Cd Se\n4 1 7\ndirect\n0.701307 0.701307 0.189638 Dy\n0.315900 0.315900 0.789416 Dy\n0.007113 0.007113 0.003465 Dy\n0.110867 0.110866 0.571047 Dy\n0.880973 0.880973 0.420645 Cd\n0.735691 0.735690 0.645340 Se\n0.254182 0.254181 0.348362 Se\n0.345407 0.345407 0.045369 Se\n0.667184 0.667184 0.944854 Se\n0.039445 0.039445 0.221198 Se\n0.967209 0.967209 0.788745 Se\n0.474724 0.474724 0.531923 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Se"
],
"chemical_system": "Cd-Dy-Se",
"density": 7.07752211699647,
"density_atomic": 0.03889057540454462,
"volume": 308.5580471662994,
"volume_molar": 15.484833272218118,
"formula_full": "Dy4 Cd1 Se7",
"formula_reduced": "Dy4CdSe7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.2284457763888892,
"spacegroup": 8
},
{
"id": "jvasp-90396",
"created_at": "2022-09-04T14:35:42.594203Z",
"updated_at": "2022-09-04T14:35:42.594231Z",
"structure_string": "Ce4 Mg4\n1.0\n12.742455 0.000000 -0.855429\n0.000000 3.471139 0.000000\n-3.173191 0.000000 4.863429\nCe Mg\n4 4\ndirect\n0.642960 0.500000 0.847010 Ce\n0.857040 0.000000 0.152990 Ce\n0.142960 0.000000 0.847010 Ce\n0.357040 0.500000 0.152990 Ce\n0.871977 0.500000 0.671273 Mg\n0.628022 0.000000 0.328726 Mg\n0.371977 0.000000 0.671274 Mg\n0.128023 0.500000 0.328727 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.30946077330571,
"density_atomic": 0.03889323157941513,
"volume": 205.6913163326374,
"volume_molar": 15.483775750810368,
"formula_full": "Ce4 Mg4",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.7597852142857144,
"spacegroup": 12
},
{
"id": "jvasp-117820",
"created_at": "2022-09-04T14:38:51.806727Z",
"updated_at": "2022-09-04T14:38:51.806742Z",
"structure_string": "Y1 Br4 O1\n1.0\n-4.286793 4.286793 2.098507\n4.286793 -4.286793 2.098507\n4.286793 4.286793 -2.098507\nY Br O\n1 4 1\ndirect\n0.982116 0.982116 -0.000000 Y\n0.113202 0.663402 0.812174 Br\n0.851227 0.301027 0.187825 Br\n0.663402 0.851227 0.550200 Br\n0.301028 0.113202 0.449799 Br\n0.482123 0.482123 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Br",
"O"
],
"chemical_system": "Br-O-Y",
"density": 4.56996729975527,
"density_atomic": 0.03889697350683955,
"volume": 154.2536464680208,
"volume_molar": 15.482286196228301,
"formula_full": "Y1 Br4 O1",
"formula_reduced": "YBr4O",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7448625616666669,
"spacegroup": 87
},
{
"id": "jvasp-107450",
"created_at": "2022-09-04T14:36:51.888155Z",
"updated_at": "2022-09-04T14:36:51.888175Z",
"structure_string": "Ho1 Er1 In2\n1.0\n4.554188 -0.000000 2.629362\n1.518063 4.293730 2.629362\n-0.000000 -0.000000 5.258724\nHo Er In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.499999 Er\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.749999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Er",
"In"
],
"chemical_system": "Er-Ho-In",
"density": 9.072444944101616,
"density_atomic": 0.03889859610429174,
"volume": 102.83147467007618,
"volume_molar": 15.481640375539332,
"formula_full": "Ho1 Er1 In2",
"formula_reduced": "HoErIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3303588766666666,
"spacegroup": 225
},
{
"id": "jvasp-53411",
"created_at": "2022-09-04T14:38:33.600860Z",
"updated_at": "2022-09-04T14:38:33.600887Z",
"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sm",
"density": 7.601275884903021,
"density_atomic": 0.03889866872051219,
"volume": 359.9094894632594,
"volume_molar": 15.481611474339177,
"formula_full": "Sm4 Pb2 Se8",
"formula_reduced": "Sm2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.225083148095238,
"spacegroup": 122
},
{
"id": "jvasp-69014",
"created_at": "2022-09-04T14:36:03.141309Z",
"updated_at": "2022-09-04T14:36:03.141334Z",
"structure_string": "Ba1 Sc1 Se4\n1.0\n-0.000000 4.256568 4.256568\n4.256568 -0.000000 4.256568\n4.256568 4.256568 0.000000\nBa Sc Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Sc\n0.121697 0.626102 0.626102 Se\n0.626102 0.626102 0.626102 Se\n0.626102 0.121697 0.626102 Se\n0.626102 0.626102 0.121697 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Se"
],
"chemical_system": "Ba-Sc-Se",
"density": 5.362618385074418,
"density_atomic": 0.03889936638960582,
"volume": 154.24415760158092,
"volume_molar": 15.481333808072407,
"formula_full": "Ba1 Sc1 Se4",
"formula_reduced": "BaScSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4190257811111109,
"spacegroup": 216
},
{
"id": "jvasp-18124",
"created_at": "2022-09-04T14:37:29.619721Z",
"updated_at": "2022-09-04T14:37:29.619748Z",
"structure_string": "K2 Mn2 As2\n1.0\n3.757713 -0.000000 -0.000000\n0.000000 3.757713 0.000000\n0.000000 0.000000 10.922531\nK Mn As\n2 2 2\ndirect\n0.000000 0.500000 0.695108 K\n0.500000 0.000000 0.304892 K\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.134996 As\n0.500000 0.000000 0.865004 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Mn",
"As"
],
"chemical_system": "As-K-Mn",
"density": 3.6382053763029885,
"density_atomic": 0.03890279009511553,
"volume": 154.23058308492207,
"volume_molar": 15.47997134723793,
"formula_full": "K2 Mn2 As2",
"formula_reduced": "KMnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5956056637931035,
"spacegroup": 129
}
]
}