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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=4103",
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"results": [
{
"id": "jvasp-91343",
"created_at": "2022-09-04T14:36:04.220197Z",
"updated_at": "2022-09-04T14:36:04.220217Z",
"structure_string": "Nb4 Te4 Br12\n1.0\n6.612030 0.000000 -0.893542\n0.000000 7.180704 0.000000\n0.005221 0.000000 12.697362\nNb Te Br\n4 4 12\ndirect\n0.930770 0.352124 0.852860 Nb\n0.069230 0.352124 0.647140 Nb\n0.069230 0.647876 0.147140 Nb\n0.930770 0.647876 0.352860 Nb\n0.189608 0.064034 0.805370 Te\n0.810392 0.935966 0.194630 Te\n0.189608 0.935966 0.305370 Te\n0.810392 0.064034 0.694630 Te\n0.744534 0.452129 0.196264 Br\n0.255466 0.452129 0.303736 Br\n0.153096 0.319506 0.045624 Br\n0.638260 0.787758 0.438538 Br\n0.361740 0.787758 0.061462 Br\n0.361740 0.212241 0.561462 Br\n0.638260 0.212241 0.938538 Br\n0.153096 0.680494 0.545624 Br\n0.846904 0.680494 0.954376 Br\n0.846904 0.319506 0.454376 Br\n0.744534 0.547872 0.696263 Br\n0.255466 0.547872 0.803736 Br\n",
"nsites": 20,
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"elements": [
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"volume": 602.8919340326376,
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"formula_full": "Nb4 Te4 Br12",
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"formula_anonymous": "ABC3",
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"spacegroup": 13
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{
"id": "jvasp-59052",
"created_at": "2022-09-04T14:38:34.991405Z",
"updated_at": "2022-09-04T14:38:34.991432Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.660329 -0.090370\n6.538734 0.000000 0.000000\n0.000000 -2.125495 -9.525124\nSn Cl\n4 16\ndirect\n0.247217 0.080910 0.872578 Sn\n0.752783 0.580910 0.627421 Sn\n0.752783 0.919089 0.127421 Sn\n0.247217 0.419089 0.372579 Sn\n0.563747 0.087436 0.191240 Cl\n0.436254 0.587436 0.308759 Cl\n0.313365 0.414946 0.934382 Cl\n0.686636 0.914945 0.565618 Cl\n0.686636 0.585054 0.065618 Cl\n0.313365 0.085054 0.434382 Cl\n0.056357 0.077703 0.682837 Cl\n0.943643 0.922296 0.317163 Cl\n0.563747 0.412563 0.691240 Cl\n0.056357 0.422296 0.182837 Cl\n0.187059 0.587948 0.560976 Cl\n0.812942 0.087949 0.939024 Cl\n0.812942 0.412051 0.439024 Cl\n0.187058 0.912051 0.060976 Cl\n0.943644 0.577703 0.817162 Cl\n0.436254 0.912563 0.808759 Cl\n",
"nsites": 20,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Sn",
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"density_atomic": 0.03317173099213941,
"volume": 602.9230131143693,
"volume_molar": 18.15443626209029,
"formula_full": "Sn4 Cl16",
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"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-117659",
"created_at": "2022-09-04T14:38:46.800157Z",
"updated_at": "2022-09-04T14:38:46.800184Z",
"structure_string": "Ca1 Ag1 O1\n1.0\n3.638389 -0.000000 -0.000000\n0.000000 3.638389 0.000000\n-0.000000 0.000000 6.832845\nCa Ag O\n1 1 1\ndirect\n0.000000 0.000000 0.408661 Ca\n0.000000 0.000000 -0.015853 Ag\n0.000000 0.000000 0.686569 O\n",
"nsites": 3,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Ca-O",
"density": 3.009740372372382,
"density_atomic": 0.033166636091017276,
"volume": 90.45234469263853,
"volume_molar": 18.157225060370273,
"formula_full": "Ca1 Ag1 O1",
"formula_reduced": "CaAgO",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-115690",
"created_at": "2022-09-04T14:38:45.635156Z",
"updated_at": "2022-09-04T14:38:45.635172Z",
"structure_string": "In1 Se1 Br2\n1.0\n4.391705 0.000000 0.000000\n0.000000 4.391705 0.000000\n0.000000 -0.000000 6.253056\nIn Se Br\n1 1 2\ndirect\n0.499999 0.499999 0.502595 In\n0.000000 0.000000 0.002461 Se\n0.000000 0.000000 0.502387 Br\n0.499999 0.499999 0.002559 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Se",
"Br"
],
"chemical_system": "Br-In-Se",
"density": 4.8683917810513995,
"density_atomic": 0.033166630568461815,
"volume": 120.6031463384045,
"volume_molar": 18.157228083718763,
"formula_full": "In1 Se1 Br2",
"formula_reduced": "InSeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-94277",
"created_at": "2022-09-04T14:36:33.476407Z",
"updated_at": "2022-09-04T14:36:33.476428Z",
"structure_string": "Mg2 Cd4\n1.0\n5.906865 0.000000 0.000000\n-0.000000 5.906865 0.000000\n0.000000 0.000000 5.185022\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.328520 0.328520 0.000000 Cd\n0.671479 0.671479 0.000000 Cd\n0.828520 0.171479 0.500000 Cd\n0.171479 0.828520 0.500000 Cd\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Cd-Mg",
"density": 4.573357982613013,
"density_atomic": 0.03316550055997493,
"volume": 180.91088325803744,
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"formula_full": "Mg2 Cd4",
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{
"id": "jvasp-5734",
"created_at": "2022-09-04T14:37:51.670913Z",
"updated_at": "2022-09-04T14:37:51.670939Z",
"structure_string": "Sn4 Cl16\n1.0\n0.000000 9.662098 -0.089719\n6.538849 0.000000 0.000000\n0.000000 -2.126545 -9.525955\nSn Cl\n4 16\ndirect\n0.247231 0.081001 0.872667 Sn\n0.752770 0.581001 0.627334 Sn\n0.752770 0.919000 0.127334 Sn\n0.247230 0.418999 0.372667 Sn\n0.563760 0.087245 0.191176 Cl\n0.436241 0.587245 0.308825 Cl\n0.313369 0.415013 0.934532 Cl\n0.686632 0.915013 0.565469 Cl\n0.686631 0.584987 0.065469 Cl\n0.313369 0.084987 0.434531 Cl\n0.056351 0.077773 0.682969 Cl\n0.943650 0.922227 0.317032 Cl\n0.563760 0.412755 0.691176 Cl\n0.056351 0.422227 0.182969 Cl\n0.187109 0.587898 0.561034 Cl\n0.812892 0.087898 0.938967 Cl\n0.812892 0.412102 0.438967 Cl\n0.187109 0.912102 0.061034 Cl\n0.943650 0.577774 0.817032 Cl\n0.436241 0.912755 0.808825 Cl\n",
"nsites": 20,
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"elements": [
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"Cl"
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"chemical_system": "Cl-Sn",
"density": 2.869279804420745,
"density_atomic": 0.03316266355244148,
"volume": 603.0878662195869,
"volume_molar": 18.159400105112006,
"formula_full": "Sn4 Cl16",
"formula_reduced": "SnCl4",
"formula_anonymous": "AB4",
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"spacegroup": 14
},
{
"id": "jvasp-109586",
"created_at": "2022-09-04T14:38:20.301756Z",
"updated_at": "2022-09-04T14:38:20.301776Z",
"structure_string": "Pm1 Tm3\n1.0\n4.940894 -0.000000 0.000000\n0.000000 4.940894 0.000000\n-0.000000 -0.000000 4.940894\nPm Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.000000 0.500000 Tm\n-0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 -0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pm-Tm",
"density": 8.973225782976167,
"density_atomic": 0.03316220356767697,
"volume": 120.61924630059204,
"volume_molar": 18.159651989681862,
"formula_full": "Pm1 Tm3",
"formula_reduced": "PmTm3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-10154",
"created_at": "2022-09-04T14:37:07.777721Z",
"updated_at": "2022-09-04T14:37:07.777740Z",
"structure_string": "K4 Se6\n1.0\n6.464735 -0.025388 -0.000000\n-1.921681 6.172568 0.000000\n0.000000 0.000000 7.566236\nK Se\n4 6\ndirect\n0.098762 0.901238 0.871558 K\n0.901239 0.098762 0.371557 K\n0.584993 0.415008 0.151260 K\n0.415008 0.584992 0.651261 K\n0.788933 0.211068 0.812090 Se\n0.211068 0.788932 0.312090 Se\n0.090068 0.405561 0.001446 Se\n0.909933 0.594439 0.501446 Se\n0.594440 0.909932 0.001446 Se\n0.405561 0.090068 0.501446 Se\n",
"nsites": 10,
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"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 3.4700046278031995,
"density_atomic": 0.03316154914980006,
"volume": 301.55406657352415,
"volume_molar": 18.160010356561735,
"formula_full": "K4 Se6",
"formula_reduced": "K2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.6438913466666665,
"spacegroup": 36
},
{
"id": "jvasp-91517",
"created_at": "2022-09-04T14:36:04.333617Z",
"updated_at": "2022-09-04T14:36:04.333644Z",
"structure_string": "Er2 Te6\n1.0\n-4.334793 0.000000 0.000000\n0.000000 -0.000000 -4.336423\n2.167396 -12.834428 -0.000000\nEr Te\n2 6\ndirect\n0.170776 0.749999 0.341552 Er\n0.829223 0.250000 0.658449 Er\n0.926134 0.749999 0.852272 Te\n0.073864 0.250000 0.147729 Te\n0.573898 0.749999 0.147795 Te\n0.426101 0.250000 0.852205 Te\n0.293799 0.749999 0.587599 Te\n0.706200 0.250000 0.412402 Te\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Er-Te",
"density": 7.572021658487338,
"density_atomic": 0.03315991941296313,
"volume": 241.25510983216017,
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"formula_full": "Er2 Te6",
"formula_reduced": "ErTe3",
"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-59034",
"created_at": "2022-09-04T14:38:17.244682Z",
"updated_at": "2022-09-04T14:38:17.244703Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.452711 -0.000000 0.000000\n0.000000 9.151371 0.000000\n0.000000 0.000000 17.763187\nRb Ag Cl\n8 4 12\ndirect\n0.250000 0.928555 0.712618 Rb\n0.750000 0.071445 0.287382 Rb\n0.250000 0.428555 0.787382 Rb\n0.750000 0.571445 0.212618 Rb\n0.750000 0.243569 0.541532 Rb\n0.250000 0.756430 0.458469 Rb\n0.750000 0.743569 0.958469 Rb\n0.250000 0.256430 0.041531 Rb\n0.750000 0.125532 0.867021 Ag\n0.250000 0.874468 0.132980 Ag\n0.750000 0.625532 0.632980 Ag\n0.250000 0.374468 0.367021 Ag\n0.250000 0.993660 0.902262 Cl\n0.750000 0.884039 0.573029 Cl\n0.250000 0.115961 0.426971 Cl\n0.750000 0.384039 0.926971 Cl\n0.250000 0.615961 0.073029 Cl\n0.750000 0.692714 0.775588 Cl\n0.250000 0.307286 0.224412 Cl\n0.750000 0.192714 0.724412 Cl\n0.250000 0.807286 0.275588 Cl\n0.250000 0.493660 0.597739 Cl\n0.750000 0.506340 0.402262 Cl\n0.750000 0.006340 0.097738 Cl\n",
"nsites": 24,
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"elements": [
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"density_atomic": 0.03315734004812819,
"volume": 723.82163240971,
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},
{
"id": "jvasp-35748",
"created_at": "2022-09-04T14:37:28.914163Z",
"updated_at": "2022-09-04T14:37:28.914186Z",
"structure_string": "Al2 Sb2\n1.0\n2.193487 -3.799230 -0.000000\n2.193487 3.799230 0.000000\n0.000000 -0.000000 7.238138\nAl Sb\n2 2\ndirect\n0.666668 0.333334 0.499248 Al\n0.333334 0.666668 -0.000752 Al\n0.666668 0.333334 0.125652 Sb\n0.333334 0.666668 0.625653 Sb\n",
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{
"id": "jvasp-100761",
"created_at": "2022-09-04T14:37:02.537392Z",
"updated_at": "2022-09-04T14:37:02.537414Z",
"structure_string": "Tl6 Sn2\n1.0\n7.062892 0.000000 0.000000\n-3.531445 6.116644 0.000000\n-0.000000 -0.000000 5.585300\nTl Sn\n6 2\ndirect\n0.169860 0.339720 0.250000 Tl\n0.660279 0.830139 0.250000 Tl\n0.169859 0.830139 0.250000 Tl\n0.830139 0.660280 0.750000 Tl\n0.339720 0.169860 0.750000 Tl\n0.830140 0.169860 0.750000 Tl\n0.333333 0.666666 0.750000 Sn\n0.666666 0.333333 0.250000 Sn\n",
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"formula_full": "Tl6 Sn2",
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}
]
}