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=353",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=351",
"results": [
{
"id": "jvasp-28854",
"created_at": "2022-09-04T14:37:30.310056Z",
"updated_at": "2022-09-04T14:37:30.310083Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.509263 0.000000 -0.000000\n-1.754633 3.037974 0.001869\n-0.000000 0.023761 34.269035\nTe Mo W Se\n6 2 2 2\ndirect\n0.333166 0.666333 0.735888 Te\n0.667862 0.335724 0.022321 Te\n0.666077 0.332156 0.417816 Te\n0.666560 0.333120 0.129680 Te\n0.665421 0.330842 0.524786 Te\n0.334493 0.668987 0.628456 Te\n0.332577 0.665152 0.471287 Mo\n0.666677 0.333356 0.273435 Mo\n0.333559 0.667116 0.075959 W\n0.666887 0.333774 0.682237 W\n0.332796 0.665593 0.320597 Se\n0.333920 0.667839 0.226287 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 6.740808909567351,
"density_atomic": 0.03284578048685586,
"volume": 365.3437312839051,
"volume_molar": 18.334594796460767,
"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.309693761111112,
"spacegroup": 156
},
{
"id": "jvasp-58423",
"created_at": "2022-09-04T14:37:30.252654Z",
"updated_at": "2022-09-04T14:37:30.252679Z",
"structure_string": "K1 Rb2 Sc1 F6\n1.0\n5.460841 -0.000000 -3.149758\n-1.816749 5.149778 -3.149758\n0.053916 0.076194 6.402178\nK Rb Sc F\n1 2 1 6\ndirect\n0.500000 0.500000 -0.000000 K\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.838590 0.721462 -0.000000 F\n0.278538 0.838591 -0.000000 F\n0.721462 0.161410 -0.000000 F\n0.161410 0.278538 -0.000000 F\n0.221854 0.221853 0.443708 F\n0.778146 0.778146 0.556292 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sc",
"F"
],
"chemical_system": "F-K-Rb-Sc",
"density": 3.354280735870521,
"density_atomic": 0.054745346874695476,
"volume": 182.66392617602034,
"volume_molar": 11.000278752062428,
"formula_full": "K1 Rb2 Sc1 F6",
"formula_reduced": "KRb2ScF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.300000000000525e-05,
"spacegroup": 87
},
{
"id": "jvasp-43390",
"created_at": "2022-09-04T14:37:09.629655Z",
"updated_at": "2022-09-04T14:37:09.629670Z",
"structure_string": "Li4 Cr5 Sb1 O12\n1.0\n5.171833 -0.004549 0.168669\n-2.600999 4.470198 0.168669\n0.328768 0.571085 10.224104\nLi Cr Sb O\n4 5 1 12\ndirect\n0.112211 0.450604 0.710706 Li\n0.549395 0.887789 0.289294 Li\n0.450604 0.112210 0.710706 Li\n0.887789 0.549395 0.289294 Li\n0.162251 0.837748 0.500000 Cr\n0.335123 0.664877 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.664877 0.335123 0.000000 Cr\n0.837748 0.162251 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.808177 0.461790 0.603110 O\n0.538209 0.191822 0.396890 O\n0.851644 0.851644 0.393881 O\n0.687103 0.687103 0.901030 O\n0.312896 0.312897 0.098970 O\n0.973971 0.634870 0.102151 O\n0.461790 0.808177 0.603110 O\n0.191822 0.538210 0.396890 O\n0.365129 0.026028 0.897849 O\n0.634870 0.973971 0.102151 O\n0.148355 0.148355 0.606119 O\n0.026029 0.365129 0.897849 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb",
"density": 4.245657444672241,
"density_atomic": 0.09351576951495301,
"volume": 235.25444012394337,
"volume_molar": 6.4397061492789955,
"formula_full": "Li4 Cr5 Sb1 O12",
"formula_reduced": "Li4Cr5SbO12",
"formula_anonymous": "AB4C5D12",
"energy_above_hull": 3.2133715954545456,
"spacegroup": 12
},
{
"id": "jvasp-57442",
"created_at": "2022-09-04T14:37:31.532243Z",
"updated_at": "2022-09-04T14:37:31.532259Z",
"structure_string": "Nd4 Cu2 Ge4 O16\n1.0\n5.199462 0.013888 -0.000125\n-0.122966 8.442519 -0.000252\n-2.538125 -4.227915 7.746059\nNd Cu Ge O\n4 2 4 16\ndirect\n0.348949 0.638482 0.758468 Nd\n0.580697 0.377074 0.240087 Nd\n0.340626 0.136988 0.759917 Nd\n0.590475 0.880014 0.241532 Nd\n0.771108 0.760866 0.586692 Cu\n0.184400 0.174165 0.413301 Cu\n0.772186 0.305839 0.578872 Ge\n0.922280 0.504000 0.000004 Ge\n0.004793 0.000819 -0.000003 Ge\n0.193315 0.726970 0.421132 Ge\n0.223103 0.838042 -0.000003 O\n0.891375 0.089876 0.187451 O\n0.825086 0.677385 0.343456 O\n0.386038 0.929842 0.466568 O\n0.229163 0.595885 0.184934 O\n0.147530 0.837358 0.651772 O\n0.481631 0.333930 0.656546 O\n0.716149 0.669973 0.000002 O\n0.044229 0.410953 0.815070 O\n0.495751 0.185588 0.348230 O\n0.213793 0.170932 0.000000 O\n0.919473 0.463272 0.533433 O\n0.716639 0.333971 0.000004 O\n0.938673 0.108614 0.517266 O\n0.703926 0.902429 0.812542 O\n0.421413 0.591353 0.482739 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Nd",
"Cu",
"Ge",
"O"
],
"chemical_system": "Cu-Ge-Nd-O",
"density": 6.107360418570125,
"density_atomic": 0.07646378018767408,
"volume": 340.03027232220444,
"volume_molar": 7.875808317636335,
"formula_full": "Nd4 Cu2 Ge4 O16",
"formula_reduced": "Nd2Cu(GeO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.0581056423076927,
"spacegroup": 8
},
{
"id": "jvasp-42715",
"created_at": "2022-09-04T14:37:18.764757Z",
"updated_at": "2022-09-04T14:37:18.764793Z",
"structure_string": "Li4 V2 O2 F6\n1.0\n4.993222 0.001287 0.004293\n-0.002093 5.417839 -0.029610\n-0.004415 -2.706626 5.234915\nLi V O F\n4 2 2 6\ndirect\n0.994900 0.132376 0.587100 Li\n0.521423 0.066584 0.305374 Li\n0.525724 0.632708 0.587404 Li\n0.999453 0.566582 0.305342 Li\n0.981676 0.989933 0.011365 V\n0.539183 0.489964 0.011364 V\n0.808584 0.765336 0.127265 O\n0.712369 0.264975 0.126583 O\n0.659511 0.308245 0.639801 F\n0.171510 0.220687 0.353963 F\n0.324437 0.745665 0.891082 F\n0.196413 0.245496 0.890841 F\n0.861335 0.807953 0.639784 F\n0.349422 0.720592 0.353915 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.241136183266939,
"density_atomic": 0.0991379497727163,
"volume": 141.21736461260704,
"volume_molar": 6.074506053238303,
"formula_full": "Li4 V2 O2 F6",
"formula_reduced": "Li2VOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.8447397925000001,
"spacegroup": 7
},
{
"id": "jvasp-34471",
"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
"structure_string": "Sr2 Cu2 H12 O10\n1.0\n0.000000 5.381226 0.028770\n6.236875 0.000000 0.000000\n0.000000 -2.439372 -7.563556\nSr Cu H O\n2 2 12 10\ndirect\n0.000001 0.453929 0.750000 Sr\n0.000000 0.546072 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.628584 0.046098 0.607394 H\n0.628583 0.953903 0.107394 H\n0.651942 0.268956 0.964087 H\n0.348059 0.731044 0.035913 H\n0.432563 0.288293 0.143754 H\n0.371418 0.953903 0.392607 H\n0.567439 0.288293 0.356246 H\n0.651942 0.731044 0.464087 H\n0.432563 0.711708 0.643755 H\n0.567439 0.711708 0.856246 H\n0.371418 0.046098 0.892607 H\n0.348060 0.268956 0.535914 H\n0.157268 0.280349 0.505551 O\n0.714393 0.844697 0.056704 O\n0.500001 0.383052 0.250000 O\n0.842733 0.280349 0.994450 O\n0.842733 0.719652 0.494450 O\n0.157268 0.719652 0.005550 O\n0.285608 0.844697 0.443296 O\n0.500001 0.616949 0.750000 O\n0.285608 0.155304 0.943297 O\n0.714393 0.155304 0.556704 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O-Sr",
"density": 3.1087690271415314,
"density_atomic": 0.10260027999468145,
"volume": 253.4106144870928,
"volume_molar": 5.869516886612954,
"formula_full": "Sr2 Cu2 H12 O10",
"formula_reduced": "SrCuH6O5",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 2.403071096923077,
"spacegroup": 13
},
{
"id": "jvasp-102603",
"created_at": "2022-09-04T14:37:11.626016Z",
"updated_at": "2022-09-04T14:37:11.626042Z",
"structure_string": "Sr2 La1 Ta1 O6\n1.0\n5.286176 -0.000000 3.051975\n1.762059 4.983855 3.051975\n-0.000000 -0.000000 6.103950\nSr La Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.749999 0.750001 Sr\n0.500001 0.500000 0.500001 La\n0.000000 0.000000 0.000000 Ta\n0.769299 0.230702 0.230702 O\n0.230703 0.769297 0.769299 O\n0.230703 0.769297 0.230703 O\n0.769299 0.230702 0.769299 O\n0.230702 0.230702 0.769298 O\n0.769299 0.769297 0.230703 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"La",
"Ta",
"O"
],
"chemical_system": "La-O-Sr-Ta",
"density": 6.10357859454637,
"density_atomic": 0.062184481204053184,
"volume": 160.8118264617475,
"volume_molar": 9.684314548253361,
"formula_full": "Sr2 La1 Ta1 O6",
"formula_reduced": "Sr2LaTaO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.303072782,
"spacegroup": 225
},
{
"id": "jvasp-52844",
"created_at": "2022-09-04T14:37:09.659047Z",
"updated_at": "2022-09-04T14:37:09.659066Z",
"structure_string": "Na4 H4 C4 O12\n1.0\n0.000000 3.422984 -0.023299\n9.739693 0.000000 0.000000\n0.000000 -2.915614 -7.427077\nNa H C O\n4 4 4 12\ndirect\n0.424830 0.504096 0.212751 Na\n0.575169 0.004096 0.287249 Na\n0.575170 0.495904 0.787249 Na\n0.424831 0.995904 0.712751 Na\n0.694399 0.741426 0.654375 H\n0.305602 0.241426 0.845626 H\n0.305601 0.258574 0.345625 H\n0.694398 0.758574 0.154375 H\n0.784184 0.261687 0.573322 C\n0.215817 0.761687 0.926679 C\n0.215817 0.738312 0.426679 C\n0.784183 0.238312 0.073321 C\n0.500295 0.328631 0.435335 O\n0.194922 0.868026 0.431235 O\n0.805077 0.368026 0.068766 O\n0.805078 0.131974 0.568766 O\n0.194923 0.631974 0.931235 O\n0.988179 0.662765 0.297026 O\n0.011821 0.162765 0.202975 O\n0.011821 0.337235 0.702975 O\n0.988180 0.837235 0.797026 O\n0.499705 0.671369 0.564666 O\n0.500296 0.171369 0.935335 O\n0.499704 0.828631 0.064665 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 2.2474786372441,
"density_atomic": 0.09666834190254485,
"volume": 248.27155951630309,
"volume_molar": 6.229692825466228,
"formula_full": "Na4 H4 C4 O12",
"formula_reduced": "NaHCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.53564325,
"spacegroup": 14
},
{
"id": "jvasp-34355",
"created_at": "2022-09-04T14:37:18.719430Z",
"updated_at": "2022-09-04T14:37:18.719451Z",
"structure_string": "Ho6 Cu2 Sn2 S14\n1.0\n4.840937 -8.384749 0.000000\n4.840937 8.384750 0.000000\n0.000000 0.000000 6.228957\nHo Cu Sn S\n6 2 2 14\ndirect\n0.154359 0.794178 0.274532 Ho\n0.360182 0.154359 0.774532 Ho\n0.639818 0.845641 0.274532 Ho\n0.845641 0.205822 0.774532 Ho\n0.794178 0.639818 0.774532 Ho\n0.205822 0.360182 0.274532 Ho\n0.000000 0.000000 0.155483 Cu\n0.000000 0.000000 0.655483 Cu\n0.333333 0.666667 0.837941 Sn\n0.666667 0.333333 0.337941 Sn\n0.735316 0.881165 0.693596 S\n0.145849 0.264684 0.693596 S\n0.521202 0.441466 0.522336 S\n0.920266 0.478798 0.522336 S\n0.881165 0.145849 0.193596 S\n0.118836 0.854152 0.693596 S\n0.264684 0.118836 0.193596 S\n0.558534 0.079735 0.522336 S\n0.441467 0.920266 0.022336 S\n0.478798 0.558534 0.022336 S\n0.333333 0.666667 0.452183 S\n0.079735 0.521202 0.022336 S\n0.854152 0.735316 0.193596 S\n0.666667 0.333333 0.952183 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ho",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Ho-S-Sn",
"density": 5.920807166085868,
"density_atomic": 0.04746203881261585,
"volume": 505.6672785329352,
"volume_molar": 12.688331371047758,
"formula_full": "Ho6 Cu2 Sn2 S14",
"formula_reduced": "Ho3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.6459890708333336,
"spacegroup": 173
},
{
"id": "jvasp-48164",
"created_at": "2022-09-04T14:37:07.719961Z",
"updated_at": "2022-09-04T14:37:07.719986Z",
"structure_string": "Li1 Fe1 Co2 O6\n1.0\n6.239929 0.029214 -0.011358\n0.625648 2.752556 -0.000014\n-1.376502 0.312790 5.624138\nLi Fe Co O\n1 1 2 6\ndirect\n0.333318 0.333336 0.833314 Li\n0.333338 0.333329 0.333325 Fe\n0.675105 0.662447 0.657818 Co\n0.991564 0.004220 0.008862 Co\n0.016370 0.491829 0.228343 O\n0.350653 0.824681 0.560720 O\n0.316019 0.841983 0.105935 O\n0.676928 0.161543 0.877716 O\n0.650302 0.174839 0.438337 O\n0.989740 0.505125 0.788965 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.762907024118483,
"density_atomic": 0.10367981922475217,
"volume": 96.45078545442365,
"volume_molar": 5.8084020641909975,
"formula_full": "Li1 Fe1 Co2 O6",
"formula_reduced": "LiFe(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.87574283,
"spacegroup": 12
},
{
"id": "jvasp-10558",
"created_at": "2022-09-04T14:37:18.701505Z",
"updated_at": "2022-09-04T14:37:18.701528Z",
"structure_string": "Ba2 Sm4 Pt2 O10\n1.0\n6.712310 -0.000000 -0.000000\n-0.000000 6.712310 0.000000\n0.000000 0.000000 5.956778\nBa Sm Pt O\n2 4 2 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.826515 0.673485 0.500000 Sm\n0.673485 0.173485 0.500000 Sm\n0.326515 0.826515 0.500000 Sm\n0.173485 0.326515 0.500000 Sm\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.639781 0.860219 0.743239 O\n0.139781 0.639781 0.743239 O\n0.639781 0.860219 0.256761 O\n0.360219 0.139781 0.256761 O\n0.500000 0.500000 0.500000 O\n0.139781 0.639781 0.256761 O\n0.000000 0.000000 0.500000 O\n0.860219 0.360219 0.743239 O\n0.860219 0.360219 0.256761 O\n0.360219 0.139781 0.743239 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Pt",
"O"
],
"chemical_system": "Ba-O-Pt-Sm",
"density": 8.824521299205355,
"density_atomic": 0.06706826611718776,
"volume": 268.3832614451187,
"volume_molar": 8.97912098916881,
"formula_full": "Ba2 Sm4 Pt2 O10",
"formula_reduced": "BaSm2PtO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.979132513333333,
"spacegroup": 127
},
{
"id": "jvasp-8612",
"created_at": "2022-09-04T14:37:09.824606Z",
"updated_at": "2022-09-04T14:37:09.824626Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n3.914817 -0.000000 0.000000\n0.000000 3.915295 0.000000\n0.000000 0.000000 7.515134\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Nd\n0.000000 0.000000 0.759115 Co\n0.000000 0.000000 0.240885 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.797728 O\n0.500000 0.000000 0.202271 O\n0.000000 0.499999 0.797697 O\n0.000000 0.499999 0.202302 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.911364287543966,
"density_atomic": 0.07813215902632122,
"volume": 115.18944455340181,
"volume_molar": 7.707633879631123,
"formula_full": "Ba1 Nd1 Co2 O5",
"formula_reduced": "BaNdCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.387609641111111,
"spacegroup": 123
}
]
}