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=formula_anonymous&page=80",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=78",
"results": [
{
"id": "jvasp-48620",
"created_at": "2022-09-04T14:37:08.734549Z",
"updated_at": "2022-09-04T14:37:08.734568Z",
"structure_string": "V4 O4 F6\n1.0\n3.784901 0.000000 0.000000\n1.892450 4.772265 0.000000\n-0.000000 -0.000000 9.642303\nV O F\n4 4 6\ndirect\n0.152882 0.694236 0.056892 V\n0.152882 0.694236 0.443108 V\n0.847118 0.305763 0.943108 V\n0.847118 0.305763 0.556892 V\n0.329277 0.341446 0.545852 O\n0.329277 0.341446 0.954147 O\n0.670723 0.658553 0.045853 O\n0.670723 0.658553 0.454147 O\n0.043672 0.912655 0.882848 F\n0.043672 0.912655 0.617151 F\n0.216350 0.567298 0.250000 F\n0.783650 0.432701 0.750000 F\n0.956328 0.087344 0.117151 F\n0.956328 0.087344 0.382848 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.639760980620447,
"density_atomic": 0.08038373562165617,
"volume": 174.1645855561391,
"volume_molar": 7.491740354472375,
"formula_full": "V4 O4 F6",
"formula_reduced": "V2O2F3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.7436608925,
"spacegroup": 63
},
{
"id": "jvasp-116610",
"created_at": "2022-09-04T14:38:42.463899Z",
"updated_at": "2022-09-04T14:38:42.463925Z",
"structure_string": "Li4 Ce4 Si6\n1.0\n9.442999 -0.002492 0.000000\n-8.413666 4.287243 0.000000\n0.000000 0.000000 6.730950\nLi Ce Si\n4 4 6\ndirect\n0.811130 0.188870 0.561255 Li\n0.188869 0.811130 0.438745 Li\n0.188869 0.811130 0.061255 Li\n0.811130 0.188870 0.938745 Li\n0.550870 0.449129 0.250000 Ce\n0.449129 0.550870 0.750000 Ce\n0.343033 0.656967 0.250000 Ce\n0.656967 0.343033 0.750000 Ce\n0.940752 0.059249 0.072050 Si\n0.059248 0.940751 0.927950 Si\n0.059248 0.940751 0.572050 Si\n0.940752 0.059249 0.427950 Si\n0.719973 0.280027 0.250000 Si\n0.280026 0.719973 0.750000 Si\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Si"
],
"chemical_system": "Ce-Li-Si",
"density": 4.613780540287011,
"density_atomic": 0.051403016623313265,
"volume": 272.35755641723284,
"volume_molar": 11.71553958424441,
"formula_full": "Li4 Ce4 Si6",
"formula_reduced": "Li2Ce2Si3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.3836066857142857,
"spacegroup": 63
},
{
"id": "jvasp-8705",
"created_at": "2022-09-04T14:37:04.864419Z",
"updated_at": "2022-09-04T14:37:04.864449Z",
"structure_string": "Mg2 H2 O3\n1.0\n1.538489 -2.664741 0.000000\n1.538489 2.664741 -0.000000\n0.000000 -0.000000 7.384250\nMg H O\n2 2 3\ndirect\n0.333334 0.666667 0.165365 Mg\n0.666667 0.333334 0.834635 Mg\n0.333334 0.666667 0.559763 H\n0.666667 0.333334 0.440237 H\n0.333334 0.666667 0.691292 O\n0.666667 0.333334 0.308708 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.7048692430975176,
"density_atomic": 0.11561448611201192,
"volume": 60.54604604840021,
"volume_molar": 5.20881159664154,
"formula_full": "Mg2 H2 O3",
"formula_reduced": "Mg2H2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.431244085714286,
"spacegroup": 164
},
{
"id": "jvasp-16298",
"created_at": "2022-09-04T14:38:00.645963Z",
"updated_at": "2022-09-04T14:38:00.645991Z",
"structure_string": "Ca3 Al2 Ge2\n1.0\n4.021054 -0.000000 -0.859068\n-0.227605 4.410237 -1.065355\n-0.013324 0.021953 9.777878\nCa Al Ge\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ca\n0.186115 0.186133 0.372229 Ca\n0.813886 0.813867 0.627772 Ca\n0.931770 0.431722 0.863541 Al\n0.068231 0.568278 0.136459 Al\n0.353036 0.352994 0.706070 Ge\n0.646966 0.647006 0.293931 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ge"
],
"chemical_system": "Al-Ca-Ge",
"density": 3.0585987757771633,
"density_atomic": 0.040358196483842604,
"volume": 173.44679916017677,
"volume_molar": 14.921729127343346,
"formula_full": "Ca3 Al2 Ge2",
"formula_reduced": "Ca3(AlGe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.5102083942857144,
"spacegroup": 71
},
{
"id": "jvasp-10139",
"created_at": "2022-09-04T14:37:08.862386Z",
"updated_at": "2022-09-04T14:37:08.862407Z",
"structure_string": "K4 Cd4 O6\n1.0\n0.000000 6.477876 0.014232\n6.604627 0.000000 0.000000\n0.000000 -3.225012 -6.059620\nK Cd O\n4 4 6\ndirect\n0.847217 0.344140 0.094514 K\n0.847217 0.155861 0.594513 K\n0.152784 0.655861 0.905487 K\n0.152784 0.844140 0.405487 K\n0.341268 0.128913 0.081365 Cd\n0.341268 0.371087 0.581365 Cd\n0.658734 0.871087 0.918636 Cd\n0.658733 0.628914 0.418636 Cd\n0.000000 0.500000 0.500000 O\n0.641451 0.590968 0.740170 O\n0.358550 0.090968 0.759830 O\n0.358550 0.409032 0.259830 O\n0.000000 0.000000 0.000000 O\n0.641451 0.909033 0.240170 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Cd",
"O"
],
"chemical_system": "Cd-K-O",
"density": 4.501826872636947,
"density_atomic": 0.054064205985233184,
"volume": 258.95136615571283,
"volume_molar": 11.138868407028593,
"formula_full": "K4 Cd4 O6",
"formula_reduced": "K2Cd2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.1010818928571426,
"spacegroup": 14
},
{
"id": "jvasp-98053",
"created_at": "2022-09-04T14:36:07.627986Z",
"updated_at": "2022-09-04T14:36:07.627997Z",
"structure_string": "Bi2 Pd3 S2\n1.0\n5.172403 -0.063530 2.497890\n1.541224 4.937856 2.497890\n-0.087503 -0.063530 5.743305\nBi Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500000 0.500000 Bi\n-0.000001 0.500000 -0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.718347 0.718348 0.718348 S\n0.281652 0.281652 0.281652 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"S"
],
"chemical_system": "Bi-Pd-S",
"density": 8.935551653189723,
"density_atomic": 0.04700538751524132,
"volume": 148.9190999165846,
"volume_molar": 12.811596879288238,
"formula_full": "Bi2 Pd3 S2",
"formula_reduced": "Bi2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.6785351,
"spacegroup": 166
},
{
"id": "jvasp-17799",
"created_at": "2022-09-04T14:38:09.264714Z",
"updated_at": "2022-09-04T14:38:09.264739Z",
"structure_string": "In2 Ni3 S2\n1.0\n4.715493 -0.019030 2.839566\n1.595500 4.437412 2.839566\n-0.027181 -0.019030 5.504387\nIn Ni S\n2 3 2\ndirect\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 0.000001 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 -0.000000 0.500000 Ni\n0.722444 0.722444 0.722446 S\n0.277556 0.277556 0.277557 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"In",
"Ni",
"S"
],
"chemical_system": "In-Ni-S",
"density": 6.734163925720975,
"density_atomic": 0.06041946950498772,
"volume": 115.85669416415745,
"volume_molar": 9.967218860640381,
"formula_full": "In2 Ni3 S2",
"formula_reduced": "In2Ni3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.9004338771428575,
"spacegroup": 166
},
{
"id": "jvasp-44231",
"created_at": "2022-09-04T14:38:08.931809Z",
"updated_at": "2022-09-04T14:38:08.931837Z",
"structure_string": "Na4 Ni4 O6\n1.0\n0.000000 5.741578 -0.057673\n5.393984 0.000000 0.000000\n0.000000 -2.939537 -5.376154\nNa Ni O\n4 4 6\ndirect\n0.151844 0.344855 0.892431 Na\n0.151845 0.155145 0.392431 Na\n0.848154 0.844854 0.607568 Na\n0.848155 0.655145 0.107568 Na\n0.341055 0.640966 0.589065 Ni\n0.658944 0.140967 0.910933 Ni\n0.341055 0.859033 0.089066 Ni\n0.658944 0.359033 0.410933 Ni\n-0.000000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.340732 0.930554 0.766310 O\n0.340733 0.569445 0.266310 O\n0.659266 0.430555 0.733688 O\n0.659267 0.069445 0.233689 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 4.192951873155848,
"density_atomic": 0.08362510850951403,
"volume": 167.41383359050852,
"volume_molar": 7.20135479323756,
"formula_full": "Na4 Ni4 O6",
"formula_reduced": "Na2Ni2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1346204714285717,
"spacegroup": 14
},
{
"id": "jvasp-110280",
"created_at": "2022-09-04T14:38:37.106993Z",
"updated_at": "2022-09-04T14:38:37.107001Z",
"structure_string": "Bi2 Sb2 Te3\n1.0\n4.420726 0.021311 13.577788\n2.172392 3.850193 13.577788\n0.036293 0.021311 14.279280\nBi Sb Te\n2 2 3\ndirect\n0.853592 0.853590 0.853593 Bi\n0.146408 0.146408 0.146409 Bi\n0.712737 0.712735 0.712737 Sb\n0.287264 0.287263 0.287264 Sb\n0.580585 0.580583 0.580585 Te\n0.419416 0.419415 0.419416 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Bi",
"Sb",
"Te"
],
"chemical_system": "Bi-Sb-Te",
"density": 7.229982116504306,
"density_atomic": 0.029185616559303487,
"volume": 239.84417069882366,
"volume_molar": 20.63393366305405,
"formula_full": "Bi2 Sb2 Te3",
"formula_reduced": "Bi2Sb2Te3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.2502163000000002,
"spacegroup": 166
},
{
"id": "jvasp-17494",
"created_at": "2022-09-04T14:38:32.774317Z",
"updated_at": "2022-09-04T14:38:32.774344Z",
"structure_string": "Ni3 Pb2 Se2\n1.0\n4.963026 -0.016815 3.032159\n1.692534 4.665537 3.032159\n-0.024074 -0.016815 5.815929\nNi Pb Se\n3 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000001 0.500000 Ni\n0.500001 0.499999 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.779183 0.779181 0.779182 Se\n0.220818 0.220818 0.220818 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ni",
"Pb",
"Se"
],
"chemical_system": "Ni-Pb-Se",
"density": 9.182212493997573,
"density_atomic": 0.05172046092763651,
"volume": 135.34295469241638,
"volume_molar": 11.643633200457629,
"formula_full": "Ni3 Pb2 Se2",
"formula_reduced": "Ni3(PbSe)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.0053079390476192,
"spacegroup": 166
},
{
"id": "jvasp-12474",
"created_at": "2022-09-04T14:38:33.289106Z",
"updated_at": "2022-09-04T14:38:33.289122Z",
"structure_string": "Hg6 Cl4 O4\n1.0\n0.000000 6.376379 -0.002578\n7.039711 0.000000 0.000000\n0.000000 -2.752960 -6.337338\nHg Cl O\n6 4 4\ndirect\n0.417201 0.865823 0.757809 Hg\n0.582799 0.365823 0.742192 Hg\n0.582799 0.134177 0.242192 Hg\n0.417201 0.634177 0.257809 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.788076 0.627250 0.049993 Cl\n0.211925 0.127250 0.450007 Cl\n0.788076 0.872750 0.549993 Cl\n0.211925 0.372750 0.950007 Cl\n0.329455 0.605015 0.561922 O\n0.670545 0.105015 0.938079 O\n0.670545 0.394985 0.438079 O\n0.329455 0.894985 0.061922 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Cl",
"O"
],
"chemical_system": "Cl-Hg-O",
"density": 8.225375647643054,
"density_atomic": 0.04920575984804688,
"volume": 284.51953680287903,
"volume_molar": 12.238690711406697,
"formula_full": "Hg6 Cl4 O4",
"formula_reduced": "Hg3(ClO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.229200014285714,
"spacegroup": 14
},
{
"id": "jvasp-46396",
"created_at": "2022-09-04T14:38:09.530023Z",
"updated_at": "2022-09-04T14:38:09.530039Z",
"structure_string": "Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.433032018192178,
"density_atomic": 0.07099175688888183,
"volume": 197.20599423836163,
"volume_molar": 8.482873257279735,
"formula_full": "Na4 Mn4 O6",
"formula_reduced": "Na2Mn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 2.127570426108374,
"spacegroup": 14
}
]
}