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=nelements&page=3611",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3609",
"results": [
{
"id": "jvasp-55520",
"created_at": "2022-09-04T14:37:00.051664Z",
"updated_at": "2022-09-04T14:37:00.051680Z",
"structure_string": "Ca4 Pb4 O12\n1.0\n5.712273 0.000000 0.000000\n0.000000 5.971596 0.000000\n0.000000 0.000000 8.253439\nCa Pb O\n4 4 12\ndirect\n0.980947 0.062135 0.250000 Ca\n0.480947 0.437865 0.750000 Ca\n0.519053 0.562136 0.250000 Ca\n0.019053 0.937865 0.750000 Ca\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.632004 0.063670 0.750000 O\n0.132004 0.436330 0.250000 O\n0.688965 0.305680 0.069307 O\n0.188965 0.194320 0.930693 O\n0.811034 0.805681 0.430693 O\n0.188965 0.194320 0.569307 O\n0.311034 0.694320 0.930693 O\n0.811034 0.805681 0.069307 O\n0.367995 0.936330 0.250000 O\n0.688965 0.305680 0.430693 O\n0.311034 0.694320 0.569307 O\n0.867995 0.563671 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Pb",
"O"
],
"chemical_system": "Ca-O-Pb",
"density": 6.966316673858876,
"density_atomic": 0.07103880977066712,
"volume": 281.5362484896005,
"volume_molar": 8.477254587233558,
"formula_full": "Ca4 Pb4 O12",
"formula_reduced": "CaPbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1296833093333332,
"spacegroup": 62
},
{
"id": "jvasp-8669",
"created_at": "2022-09-04T14:37:05.857855Z",
"updated_at": "2022-09-04T14:37:05.857880Z",
"structure_string": "Np1 O2 F2\n1.0\n3.835702 -0.053150 4.096832\n1.583301 3.494081 4.096832\n-0.083704 -0.053150 5.611563\nNp O F\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.883162 0.883161 0.883161 O\n0.116838 0.116838 0.116838 O\n0.336682 0.336681 0.336681 F\n0.663319 0.663318 0.663318 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"O",
"F"
],
"chemical_system": "F-Np-O",
"density": 6.587414419539242,
"density_atomic": 0.06461059387433017,
"volume": 77.38669001750971,
"volume_molar": 9.320670804718606,
"formula_full": "Np1 O2 F2",
"formula_reduced": "Np(OF)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.849947513,
"spacegroup": 166
},
{
"id": "jvasp-49909",
"created_at": "2022-09-04T14:36:59.637629Z",
"updated_at": "2022-09-04T14:36:59.637642Z",
"structure_string": "Na4 Sn2 O6\n1.0\n5.589171 -0.000198 0.019148\n-2.787748 4.844297 -0.020138\n-0.967951 -1.628946 5.469328\nNa Sn O\n4 2 6\ndirect\n-0.000272 0.499799 0.501002 Na\n0.341928 0.157563 0.500949 Na\n0.657524 0.842005 0.500971 Na\n0.499682 -0.000253 0.000963 Na\n0.167072 0.332368 0.000983 Sn\n0.832301 0.667139 0.000979 Sn\n0.572893 0.439803 0.215253 O\n0.426483 0.559698 0.786703 O\n0.793855 0.293922 0.786260 O\n0.939720 0.072951 0.215244 O\n0.059639 0.926553 0.786720 O\n0.205528 0.705594 0.215696 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Sn",
"O"
],
"chemical_system": "Na-O-Sn",
"density": 4.770211789704354,
"density_atomic": 0.08103961344560888,
"volume": 148.07573098869733,
"volume_molar": 7.431107459615244,
"formula_full": "Na4 Sn2 O6",
"formula_reduced": "Na2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8348267,
"spacegroup": 12
},
{
"id": "jvasp-51209",
"created_at": "2022-09-04T14:36:59.696792Z",
"updated_at": "2022-09-04T14:36:59.696818Z",
"structure_string": "Be1 Ge2 Te1\n1.0\n0.000000 3.427675 3.427675\n3.427675 -0.000000 3.427675\n3.427675 3.427675 -0.000000\nBe Ge Te\n1 2 1\ndirect\n0.499999 0.499999 0.499999 Be\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ge\n0.749999 0.749999 0.749999 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Te"
],
"chemical_system": "Be-Ge-Te",
"density": 5.811700460013149,
"density_atomic": 0.04966278665685138,
"volume": 80.54320486762633,
"volume_molar": 12.126062924359074,
"formula_full": "Be1 Ge2 Te1",
"formula_reduced": "BeGe2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2488239416666669,
"spacegroup": 216
},
{
"id": "jvasp-2634",
"created_at": "2022-09-04T14:36:59.752510Z",
"updated_at": "2022-09-04T14:36:59.752540Z",
"structure_string": "Th2 S1 N2\n1.0\n2.013654 -3.487751 -0.000000\n2.013654 3.487751 0.000000\n-0.000000 -0.000000 6.949574\nTh S N\n2 1 2\ndirect\n0.666666 0.333332 0.287316 Th\n0.333332 0.666666 0.712683 Th\n0.000000 0.000000 0.000000 S\n0.333332 0.666666 0.367880 N\n0.666666 0.333332 0.632119 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"S",
"N"
],
"chemical_system": "N-S-Th",
"density": 8.91640798850037,
"density_atomic": 0.05122140699930798,
"volume": 97.61543645350375,
"volume_molar": 11.757077973436697,
"formula_full": "Th2 S1 N2",
"formula_reduced": "Th2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.59830154,
"spacegroup": 164
},
{
"id": "jvasp-100391",
"created_at": "2022-09-04T14:36:59.758016Z",
"updated_at": "2022-09-04T14:36:59.758041Z",
"structure_string": "Hf1 Ti1 Se4\n1.0\n3.662358 0.000000 0.000000\n0.000000 6.344740 0.002064\n0.000000 -0.006246 6.127543\nHf Ti Se\n1 1 4\ndirect\n0.500000 0.500000 -0.000000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.675465 0.743034 Se\n0.500000 0.157519 0.750201 Se\n0.500000 0.842481 0.249798 Se\n0.000000 0.324535 0.256965 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Se"
],
"chemical_system": "Hf-Se-Ti",
"density": 6.32331870335587,
"density_atomic": 0.04213957139022459,
"volume": 142.3839826095588,
"volume_molar": 14.290939754069255,
"formula_full": "Hf1 Ti1 Se4",
"formula_reduced": "HfTiSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.540507466666667,
"spacegroup": 10
},
{
"id": "jvasp-55640",
"created_at": "2022-09-04T14:36:59.788860Z",
"updated_at": "2022-09-04T14:36:59.788875Z",
"structure_string": "Bi4 P4 O16\n1.0\n0.000000 6.627068 -0.088282\n6.763853 0.000000 0.000000\n0.000000 -5.103089 -7.095070\nBi P O\n4 4 16\ndirect\n0.702108 0.615602 0.263461 Bi\n0.297892 0.115603 0.236539 Bi\n0.297892 0.384397 0.736539 Bi\n0.702108 0.884397 0.763461 Bi\n0.095144 0.637649 0.221917 P\n0.904856 0.137650 0.278082 P\n0.904856 0.362350 0.778082 P\n0.095144 0.862350 0.721917 P\n0.949024 0.179036 0.904873 O\n0.050976 0.679036 0.595127 O\n0.230182 0.469565 0.195072 O\n0.769818 0.969564 0.304928 O\n0.769818 0.530435 0.804928 O\n0.230182 0.030435 0.695072 O\n0.515127 0.812222 0.438704 O\n0.298643 0.775180 0.934255 O\n0.484873 0.187778 0.561296 O\n0.515127 0.687777 0.938704 O\n0.949024 0.320963 0.404873 O\n0.701357 0.275180 0.565745 O\n0.701357 0.224819 0.065745 O\n0.298643 0.724819 0.434255 O\n0.484873 0.312222 0.061296 O\n0.050976 0.820963 0.095127 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Bi",
"P",
"O"
],
"chemical_system": "Bi-O-P",
"density": 6.2878208335474595,
"density_atomic": 0.07474766765070254,
"volume": 321.0802524588796,
"volume_molar": 8.056626981515455,
"formula_full": "Bi4 P4 O16",
"formula_reduced": "BiPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2871939666666674,
"spacegroup": 14
},
{
"id": "jvasp-102369",
"created_at": "2022-09-04T14:36:59.791443Z",
"updated_at": "2022-09-04T14:36:59.791462Z",
"structure_string": "K3 Bi1 I6\n1.0\n7.729720 -0.000000 4.462756\n2.576573 7.287650 4.462756\n-0.000000 -0.000000 8.925512\nK Bi I\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.757698 0.242302 0.242302 I\n0.242301 0.242302 0.757699 I\n0.242301 0.757699 0.757699 I\n0.242301 0.757699 0.242302 I\n0.757698 0.242302 0.757699 I\n0.757698 0.757699 0.242302 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Bi",
"I"
],
"chemical_system": "Bi-I-K",
"density": 3.5923170950541228,
"density_atomic": 0.01988912112118186,
"volume": 502.7874253000565,
"volume_molar": 30.27856647514926,
"formula_full": "K3 Bi1 I6",
"formula_reduced": "K3BiI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-105322",
"created_at": "2022-09-04T14:36:59.825087Z",
"updated_at": "2022-09-04T14:36:59.825107Z",
"structure_string": "Ca1 H3 Pd1\n1.0\n3.713317 -0.000000 0.000000\n0.000000 3.713317 0.000000\n-0.000000 -0.000000 3.713317\nCa H Pd\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 H\n-0.000000 0.500000 -0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"H",
"Pd"
],
"chemical_system": "Ca-H-Pd",
"density": 4.849172065112484,
"density_atomic": 0.09765262607042567,
"volume": 51.20190005329782,
"volume_molar": 6.16690098600822,
"formula_full": "Ca1 H3 Pd1",
"formula_reduced": "CaH3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7972972239999998,
"spacegroup": 221
},
{
"id": "jvasp-48586",
"created_at": "2022-09-04T14:36:59.848305Z",
"updated_at": "2022-09-04T14:36:59.848331Z",
"structure_string": "Mn4 O2 F4\n1.0\n5.433619 -0.233632 0.122256\n-2.667422 1.830696 4.731035\n2.919141 -5.056100 -0.000000\nMn O F\n4 2 4\ndirect\n0.152262 0.408311 0.190495 Mn\n0.652262 0.908312 0.565553 Mn\n0.363838 0.062908 0.337939 Mn\n0.863839 0.562909 0.861130 Mn\n0.037031 0.244004 0.482081 O\n0.537032 0.744006 0.224892 O\n0.275851 0.796199 0.924446 F\n0.775851 0.296199 0.095901 F\n0.421020 0.238579 0.748953 F\n0.921021 0.738580 0.568605 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.260330122899674,
"density_atomic": 0.07828140648743667,
"volume": 127.74425561202574,
"volume_molar": 7.692938885770389,
"formula_full": "Mn4 O2 F4",
"formula_reduced": "Mn2OF2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.869119709551724,
"spacegroup": 9
},
{
"id": "jvasp-51213",
"created_at": "2022-09-04T14:36:59.863143Z",
"updated_at": "2022-09-04T14:36:59.863162Z",
"structure_string": "Ca1 Re1 Bi1\n1.0\n0.000000 3.374474 3.374474\n3.374474 0.000000 3.374474\n3.374474 3.374474 0.000000\nCa Re Bi\n1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.749999 0.749999 0.749999 Re\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Re",
"Bi"
],
"chemical_system": "Bi-Ca-Re",
"density": 9.404917464548404,
"density_atomic": 0.039036691288073154,
"volume": 76.85077553989795,
"volume_molar": 15.42687292721435,
"formula_full": "Ca1 Re1 Bi1",
"formula_reduced": "CaReBi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.409730906666667,
"spacegroup": 216
},
{
"id": "jvasp-101425",
"created_at": "2022-09-04T14:37:00.033070Z",
"updated_at": "2022-09-04T14:37:00.033086Z",
"structure_string": "Tb3 Bi3 Rh3\n1.0\n7.682195 0.000000 -0.000000\n-3.841097 6.652975 -0.000000\n0.000000 0.000000 3.991433\nTb Bi Rh\n3 3 3\ndirect\n0.600335 0.000000 0.000000 Tb\n-0.000000 0.600336 0.000000 Tb\n0.399664 0.399665 0.000000 Tb\n0.266212 0.000000 0.500000 Bi\n-0.000000 0.266212 0.500000 Bi\n0.733788 0.733789 0.500000 Bi\n0.333333 0.666667 0.500000 Rh\n0.666667 0.333333 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Tb",
"density": 11.497068580995998,
"density_atomic": 0.04411765777435745,
"volume": 203.99995045138317,
"volume_molar": 13.65018240723617,
"formula_full": "Tb3 Bi3 Rh3",
"formula_reduced": "TbBiRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2924019,
"spacegroup": 189
}
]
}