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=3991",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3989",
"results": [
{
"id": "jvasp-109329",
"created_at": "2022-09-04T14:38:17.769987Z",
"updated_at": "2022-09-04T14:38:17.770016Z",
"structure_string": "La1 Bi2 Cl1 O4\n1.0\n3.978396 -0.000000 0.000000\n0.000000 3.978396 0.000000\n-0.000000 -0.000000 9.112550\nLa Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.285831 Bi\n0.500001 0.500001 0.714169 Bi\n0.000000 0.000000 0.500000 Cl\n-0.000000 0.500001 0.166031 O\n-0.000000 0.500001 0.833969 O\n0.500001 0.000000 0.166031 O\n0.500001 0.000000 0.833969 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-La-O",
"density": 7.5562570180903315,
"density_atomic": 0.05546691907816216,
"volume": 144.23011288452244,
"volume_molar": 10.857175520266047,
"formula_full": "La1 Bi2 Cl1 O4",
"formula_reduced": "LaBi2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6810577084375002,
"spacegroup": 123
},
{
"id": "jvasp-109245",
"created_at": "2022-09-04T14:38:17.798272Z",
"updated_at": "2022-09-04T14:38:17.798299Z",
"structure_string": "Rb2 Hg1 Bi1 Cl6\n1.0\n6.753070 -0.000000 3.898887\n2.251023 6.366855 3.898887\n-0.000000 -0.000000 7.797773\nRb Hg Bi Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.754469 0.245531 0.245531 Cl\n0.245531 0.245531 0.754469 Cl\n0.245530 0.754470 0.754469 Cl\n0.245530 0.754470 0.245531 Cl\n0.754469 0.245531 0.754469 Cl\n0.754468 0.754470 0.245532 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Hg-Rb",
"density": 3.928693462954242,
"density_atomic": 0.0298265622888092,
"volume": 335.271624774269,
"volume_molar": 20.190529172245512,
"formula_full": "Rb2 Hg1 Bi1 Cl6",
"formula_reduced": "Rb2HgBiCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
},
{
"id": "jvasp-34384",
"created_at": "2022-09-04T14:38:29.697236Z",
"updated_at": "2022-09-04T14:38:29.697265Z",
"structure_string": "Mg6 B2 H6 O12\n1.0\n4.532031 -7.849707 0.000000\n4.532031 7.849707 -0.000000\n0.000000 -0.000000 3.169322\nMg B H O\n6 2 6 12\ndirect\n0.343295 0.966859 0.250000 Mg\n0.966859 0.623563 0.750000 Mg\n0.033141 0.376437 0.250000 Mg\n0.656705 0.033141 0.750000 Mg\n0.376437 0.343295 0.750000 Mg\n0.623563 0.656705 0.250000 Mg\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.169514 0.002014 0.750000 H\n0.832500 0.830486 0.750000 H\n0.167500 0.169514 0.250000 H\n0.002013 0.832500 0.250000 H\n0.830486 0.997986 0.250000 H\n0.997986 0.167500 0.750000 H\n0.842863 0.444231 0.250000 O\n0.157137 0.555769 0.750000 O\n0.555769 0.398631 0.250000 O\n0.794348 0.708954 0.750000 O\n0.708954 0.914605 0.250000 O\n0.444231 0.601368 0.750000 O\n0.398631 0.842863 0.750000 O\n0.914606 0.205651 0.750000 O\n0.601368 0.157136 0.250000 O\n0.291046 0.085394 0.750000 O\n0.205652 0.291046 0.250000 O\n0.085394 0.794348 0.250000 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"B",
"H",
"O"
],
"chemical_system": "B-H-Mg-O",
"density": 2.6914407053916567,
"density_atomic": 0.11530036142396,
"volume": 225.4979921910034,
"volume_molar": 5.223002500275396,
"formula_full": "Mg6 B2 H6 O12",
"formula_reduced": "Mg3B(HO2)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.1022992871794868,
"spacegroup": 176
},
{
"id": "jvasp-85668",
"created_at": "2022-09-04T14:38:17.851618Z",
"updated_at": "2022-09-04T14:38:17.851653Z",
"structure_string": "Mn2 H4 Se2 O10\n1.0\n3.154400 4.132691 -1.635269\n-3.154400 4.132691 1.635269\n0.068154 0.000000 7.882406\nMn H Se O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.417713 0.160290 0.794193 H\n0.160289 0.417714 0.705808 H\n0.582286 0.839710 0.205807 H\n0.839710 0.582286 0.294193 H\n0.838070 0.838071 0.750000 Se\n0.161929 0.161929 0.250000 Se\n0.405155 0.159928 0.157535 O\n0.159928 0.405155 0.342465 O\n0.594844 0.840073 0.842465 O\n0.840072 0.594845 0.657536 O\n0.132801 0.768568 0.922049 O\n0.867198 0.231432 0.077952 O\n0.768567 0.132802 0.577952 O\n0.359639 0.359640 0.750000 O\n0.231432 0.867199 0.422049 O\n0.640360 0.640360 0.250000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mn",
"H",
"Se",
"O"
],
"chemical_system": "H-Mn-O-Se",
"density": 3.4735448436357785,
"density_atomic": 0.08719502448798341,
"volume": 206.43379717704684,
"volume_molar": 6.90651880123037,
"formula_full": "Mn2 H4 Se2 O10",
"formula_reduced": "MnH2SeO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.890672012005108,
"spacegroup": 15
},
{
"id": "jvasp-108966",
"created_at": "2022-09-04T14:38:17.839749Z",
"updated_at": "2022-09-04T14:38:17.839780Z",
"structure_string": "Li2 Mn1 Ni1 O4\n1.0\n2.835922 0.000000 0.000000\n-0.000000 4.731283 1.795904\n-0.000000 0.090723 5.127187\nLi Mn Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.499999 0.500000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.000000 0.289576 0.256869 O\n0.500000 0.260000 0.726827 O\n0.000000 0.710423 0.743131 O\n0.500000 0.739999 0.273174 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.653903065017437,
"density_atomic": 0.11707506207014133,
"volume": 68.33222941369945,
"volume_molar": 5.14382879967388,
"formula_full": "Li2 Mn1 Ni1 O4",
"formula_reduced": "Li2MnNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.149309205172414,
"spacegroup": 10
},
{
"id": "jvasp-106306",
"created_at": "2022-09-04T14:38:17.852673Z",
"updated_at": "2022-09-04T14:38:17.852699Z",
"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Hf",
"U",
"O"
],
"chemical_system": "Ba-Hf-O-U",
"density": 8.118892754927264,
"density_atomic": 0.06211257779144436,
"volume": 160.99798713196284,
"volume_molar": 9.69552540585349,
"formula_full": "Ba2 Hf1 U1 O6",
"formula_reduced": "Ba2HfUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.700070194,
"spacegroup": 225
},
{
"id": "jvasp-107819",
"created_at": "2022-09-04T14:38:17.881453Z",
"updated_at": "2022-09-04T14:38:17.881478Z",
"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n6.478854 -0.000000 3.740568\n2.159618 6.108322 3.740568\n-0.000000 -0.000000 7.481136\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Sb\n0.750098 0.249901 0.249902 Cl\n0.249902 0.249901 0.750099 Cl\n0.249902 0.750098 0.750099 Cl\n0.249902 0.750098 0.249902 Cl\n0.750098 0.249901 0.750099 Cl\n0.750098 0.750098 0.249902 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-K-Sb",
"density": 2.919563162395986,
"density_atomic": 0.03377632027133088,
"volume": 296.0654067603668,
"volume_molar": 17.829475536775842,
"formula_full": "K2 Ag1 Sb1 Cl6",
"formula_reduced": "K2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109820",
"created_at": "2022-09-04T14:38:17.882937Z",
"updated_at": "2022-09-04T14:38:17.882956Z",
"structure_string": "Li1 V2 O3 F3\n1.0\n4.465502 0.023240 -2.231829\n-2.726529 4.180388 -0.212106\n0.005445 0.014088 5.219047\nLi V O F\n1 2 3 3\ndirect\n0.583214 0.803313 0.343843 Li\n0.994448 0.488408 0.522919 V\n-0.008817 0.019888 -0.011468 V\n0.066622 0.832599 0.735631 O\n0.898261 0.250421 0.749536 O\n0.900138 0.146883 0.254499 O\n0.153190 0.764899 0.264320 F\n0.501473 0.386864 0.237287 F\n0.500429 0.636321 0.755784 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.626412655169375,
"density_atomic": 0.09192371547531879,
"volume": 97.90726966879913,
"volume_molar": 6.5512373263643,
"formula_full": "Li1 V2 O3 F3",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.823904416388889,
"spacegroup": 1
},
{
"id": "jvasp-57393",
"created_at": "2022-09-04T14:38:29.733570Z",
"updated_at": "2022-09-04T14:38:29.733587Z",
"structure_string": "V2 Sn2 P2 O10\n1.0\n5.302298 0.016885 -0.006615\n-0.567087 6.488782 0.022614\n-2.084643 -2.863030 5.876169\nV Sn P O\n2 2 2 10\ndirect\n0.839505 0.366705 0.242477 V\n0.160495 0.633294 0.757521 V\n0.411899 0.218570 0.458837 Sn\n0.588100 0.781430 0.541162 Sn\n0.827261 0.809495 0.104760 P\n0.172739 0.190505 0.895239 P\n0.220106 0.502656 0.459218 O\n0.893780 0.067508 0.274161 O\n0.921884 0.243267 0.957753 O\n0.078116 0.756732 0.042246 O\n0.106220 0.932492 0.725837 O\n0.762378 0.661908 0.222342 O\n0.237622 0.338092 0.777657 O\n0.575943 0.761707 0.889875 O\n0.779893 0.497344 0.540781 O\n0.424057 0.238292 0.110123 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"V",
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn-V",
"density": 4.602976702016864,
"density_atomic": 0.07902373368831442,
"volume": 202.4708179837115,
"volume_molar": 7.6206735355640625,
"formula_full": "V2 Sn2 P2 O10",
"formula_reduced": "VSnPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.6126373625,
"spacegroup": 2
},
{
"id": "jvasp-110230",
"created_at": "2022-09-04T14:38:17.974763Z",
"updated_at": "2022-09-04T14:38:17.974787Z",
"structure_string": "K2 C2 N2 O2\n1.0\n5.038527 -0.049771 -2.155973\n-2.188040 4.518588 -2.198249\n0.039464 0.049771 5.480275\nK C N O\n2 2 2 2\ndirect\n0.251539 -0.000000 0.251539 K\n0.751539 0.500000 0.251540 K\n0.498281 0.747740 0.746022 C\n0.998282 0.252261 0.750545 C\n0.357984 0.609002 0.466986 N\n0.857985 0.390998 0.748984 N\n0.642196 0.892008 0.034204 O\n0.142195 0.107993 0.750189 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"C",
"N",
"O"
],
"chemical_system": "C-K-N-O",
"density": 2.1491405651207387,
"density_atomic": 0.06382252873093004,
"volume": 125.34758742837141,
"volume_molar": 9.435760192750738,
"formula_full": "K2 C2 N2 O2",
"formula_reduced": "KCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.8881736874999997,
"spacegroup": 46
},
{
"id": "jvasp-110170",
"created_at": "2022-09-04T14:38:18.429067Z",
"updated_at": "2022-09-04T14:38:18.429075Z",
"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.270351 -0.000274 6.438548\n1.940903 3.803787 6.438548\n-0.000447 -0.000274 7.725982\nSn Te Pb Se\n1 1 1 1\ndirect\n0.495157 0.495159 0.495158 Sn\n0.247010 0.247011 0.247011 Te\n0.006194 0.006194 0.006194 Pb\n0.751635 0.751639 0.751637 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sn",
"Te",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sn-Te",
"density": 7.044407394378465,
"density_atomic": 0.03186839665287602,
"volume": 125.51619849500692,
"volume_molar": 18.896905374925797,
"formula_full": "Sn1 Te1 Pb1 Se1",
"formula_reduced": "SnTePbSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.6270259133333334,
"spacegroup": 160
}
]
}