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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=542",
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"results": [
{
"id": "jvasp-29266",
"created_at": "2022-09-04T14:38:04.236790Z",
"updated_at": "2022-09-04T14:38:04.236800Z",
"structure_string": "Tb5 Br8\n1.0\n3.780344 -0.000000 0.704581\n1.697954 9.808444 1.383615\n-0.011547 -0.186178 10.555731\nTb Br\n5 8\ndirect\n0.155159 0.359738 0.329942 Tb\n0.844838 0.640261 0.670057 Tb\n0.483300 0.648304 0.385095 Tb\n0.516698 0.351696 0.614905 Tb\n0.000000 0.000000 0.000000 Tb\n0.039695 0.159656 0.760953 Br\n0.960303 0.840343 0.239047 Br\n0.709902 0.154528 0.425667 Br\n0.290096 0.845471 0.574333 Br\n0.362288 0.177702 0.097720 Br\n0.329655 0.497538 0.843150 Br\n0.670342 0.502461 0.156850 Br\n0.637709 0.822297 0.902279 Br\n",
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],
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"formula_full": "Tb5 Br8",
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{
"id": "jvasp-28980",
"created_at": "2022-09-04T14:37:33.281346Z",
"updated_at": "2022-09-04T14:37:33.281371Z",
"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.445845 0.000000 0.000000\n-1.722922 2.984310 0.000048\n0.000000 0.000578 35.205144\nTe Mo W Se\n4 1 3 4\ndirect\n0.334875 0.669749 0.330774 Te\n0.331417 0.662833 0.721858 Te\n0.334444 0.668887 0.224659 Te\n0.331754 0.663508 0.615816 Te\n0.331371 0.662738 0.082816 Mo\n0.335735 0.671470 0.473502 W\n0.667995 0.335989 0.277721 W\n0.664913 0.329823 0.668878 W\n0.664682 0.329360 0.036424 Se\n0.669132 0.338261 0.426858 Se\n0.664705 0.329407 0.129301 Se\n0.668992 0.337979 0.520142 Se\n",
"nsites": 12,
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"W",
"Se"
],
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"density_atomic": 0.03314632991337435,
"volume": 362.03103122913376,
"volume_molar": 18.16834857958166,
"formula_full": "Te4 Mo1 W3 Se4",
"formula_reduced": "Te4MoW3Se4",
"formula_anonymous": "AB3C4D4",
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"spacegroup": 156
},
{
"id": "jvasp-38082",
"created_at": "2022-09-04T14:37:59.504716Z",
"updated_at": "2022-09-04T14:37:59.504741Z",
"structure_string": "Rb2 Na1 Sb1 Cl6\n1.0\n0.000000 5.323230 5.323230\n5.323230 0.000000 5.323230\n5.323230 5.323230 -0.000000\nRb Na Sb Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.248423 0.751577 0.751577 Cl\n0.248423 0.751577 0.248423 Cl\n0.751577 0.248423 0.751577 Cl\n0.751577 0.751577 0.248423 Cl\n0.248423 0.248423 0.751577 Cl\n0.751577 0.248423 0.248423 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Na",
"Sb",
"Cl"
],
"chemical_system": "Cl-Na-Rb-Sb",
"density": 2.90843248497757,
"density_atomic": 0.033147006320966815,
"volume": 301.68636959756446,
"volume_molar": 18.167977830899183,
"formula_full": "Rb2 Na1 Sb1 Cl6",
"formula_reduced": "Rb2NaSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-114790",
"created_at": "2022-09-04T14:38:43.205497Z",
"updated_at": "2022-09-04T14:38:43.205511Z",
"structure_string": "Na1 Tl1 Cl1\n1.0\n5.442718 0.000000 0.000000\n-2.721359 4.713532 -0.000000\n0.000000 -0.000000 3.527742\nNa Tl Cl\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Na\n0.666667 0.333333 0.000000 Tl\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"Tl",
"Cl"
],
"chemical_system": "Cl-Na-Tl",
"density": 4.8223466813123315,
"density_atomic": 0.03314836758542298,
"volume": 90.50219418102665,
"volume_molar": 18.167231748233178,
"formula_full": "Na1 Tl1 Cl1",
"formula_reduced": "NaTlCl",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-106904",
"created_at": "2022-09-04T14:38:49.043615Z",
"updated_at": "2022-09-04T14:38:49.043637Z",
"structure_string": "K2 Na1 Eu1 Cl6\n1.0\n6.519494 -0.000000 3.764032\n2.173165 6.146638 3.764032\n-0.000000 -0.000000 7.528063\nK Na Eu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Eu\n0.749003 0.250996 0.250996 Cl\n0.250996 0.250996 0.749004 Cl\n0.250995 0.749004 0.749004 Cl\n0.250995 0.749004 0.250996 Cl\n0.749003 0.250996 0.749004 Cl\n0.749003 0.749004 0.250996 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Eu",
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],
"chemical_system": "Cl-Eu-K-Na",
"density": 2.564351477035028,
"density_atomic": 0.03314860285969312,
"volume": 301.6718394535852,
"volume_molar": 18.167102805176118,
"formula_full": "K2 Na1 Eu1 Cl6",
"formula_reduced": "K2NaEuCl6",
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"spacegroup": 225
},
{
"id": "jvasp-50888",
"created_at": "2022-09-04T14:36:45.878985Z",
"updated_at": "2022-09-04T14:36:45.879018Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n2.940637 10.049113 0.011971\n-2.940637 10.049113 -0.011971\n-0.386336 0.000000 7.143737\nBa Y Br\n2 2 10\ndirect\n0.671231 0.671232 0.750000 Ba\n0.328768 0.328768 0.250000 Ba\n0.922448 0.922449 0.750000 Y\n0.077551 0.077551 0.250000 Y\n0.277038 0.784702 0.596027 Br\n0.215298 0.722961 0.096026 Br\n0.195977 0.181673 0.995438 Br\n0.369122 0.369123 0.750000 Br\n0.181672 0.195978 0.504563 Br\n0.818326 0.804022 0.495438 Br\n0.630877 0.630877 0.250000 Br\n0.804022 0.818326 0.004562 Br\n0.784701 0.277039 0.903974 Br\n0.722961 0.215299 0.403974 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Br"
],
"chemical_system": "Ba-Br-Y",
"density": 4.921094756832806,
"density_atomic": 0.03315185497026594,
"volume": 422.2991447252852,
"volume_molar": 18.16532065973771,
"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
"formula_anonymous": "ABC5",
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"spacegroup": 15
},
{
"id": "jvasp-1408",
"created_at": "2022-09-04T14:36:04.806598Z",
"updated_at": "2022-09-04T14:36:04.806623Z",
"structure_string": "Al1 Sb1\n1.0\n3.812448 0.000000 2.201118\n1.270816 3.594410 2.201118\n0.000000 0.000000 4.402235\nAl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.094271158280346,
"density_atomic": 0.03315318298488162,
"volume": 60.326032674209046,
"volume_molar": 18.164593012822305,
"formula_full": "Al1 Sb1",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.9763444500000004,
"spacegroup": 216
},
{
"id": "jvasp-99664",
"created_at": "2022-09-04T14:36:31.250604Z",
"updated_at": "2022-09-04T14:36:31.250620Z",
"structure_string": "Na3 Al1 Si1 Te4\n1.0\n4.124676 0.255482 1.306255\n1.687279 9.072475 7.218391\n1.367083 2.454013 9.537767\nNa Al Si Te\n3 1 1 4\ndirect\n0.042667 0.577773 0.073955 Na\n0.246325 0.281222 0.666148 Na\n0.541616 0.801448 0.351710 Na\n0.527086 0.922803 0.744842 Al\n0.797868 0.315912 0.080426 Si\n0.299546 0.719166 0.175947 Te\n0.018054 0.151092 0.525801 Te\n0.488388 0.264460 -0.059084 Te\n0.788455 0.716125 0.690253 Te\n",
"nsites": 9,
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"elements": [
"Na",
"Al",
"Si",
"Te"
],
"chemical_system": "Al-Na-Si-Te",
"density": 3.8808114709498565,
"density_atomic": 0.0331533868957371,
"volume": 271.46547736747914,
"volume_molar": 18.16448129097282,
"formula_full": "Na3 Al1 Si1 Te4",
"formula_reduced": "Na3AlSiTe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7723977185185186,
"spacegroup": 6
},
{
"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",
"nsites": 8,
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"elements": [
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"Sn"
],
"chemical_system": "Sn-Tl",
"density": 10.07313768394196,
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"volume": 241.29163987608442,
"volume_molar": 18.163652744312618,
"formula_full": "Tl6 Sn2",
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"spacegroup": 194
},
{
"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",
"nsites": 4,
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"volume": 120.63893800189052,
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"formula_full": "Al2 Sb2",
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},
{
"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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],
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"volume": 723.82163240971,
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"formula_full": "Rb8 Ag4 Cl12",
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"formula_anonymous": "AB2C3",
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{
"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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],
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"volume": 241.25510983216017,
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"formula_full": "Er2 Te6",
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]
}