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=created_at&page=1292",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1290",
"results": [
{
"id": "jvasp-92632",
"created_at": "2022-09-04T14:36:32.196639Z",
"updated_at": "2022-09-04T14:36:32.196665Z",
"structure_string": "Yb1 Zn2 Sb2\n1.0\n-2.237810 -3.875810 0.000188\n-2.237646 3.875715 0.000000\n0.000548 0.000317 -7.363828\nYb Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333243 0.666622 0.636603 Zn\n0.666758 0.333378 0.363397 Zn\n0.333408 0.666704 0.252514 Sb\n0.666593 0.333296 0.747486 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Sb"
],
"chemical_system": "Sb-Yb-Zn",
"density": 7.116039560433133,
"density_atomic": 0.03914460564862508,
"volume": 127.7315205288221,
"volume_molar": 15.384343922267927,
"formula_full": "Yb1 Zn2 Sb2",
"formula_reduced": "Yb(ZnSb)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-93862",
"created_at": "2022-09-04T14:36:32.205450Z",
"updated_at": "2022-09-04T14:36:32.205463Z",
"structure_string": "U6\n1.0\n3.516524 4.001246 -3.016925\n3.516524 -4.001246 -3.016925\n1.017687 0.000000 -5.380204\nU\n6\ndirect\n0.839498 0.160501 0.249999 U\n0.160501 0.839499 0.749999 U\n0.786552 0.620453 0.593734 U\n0.379547 0.213448 0.906263 U\n0.213447 0.379547 0.406264 U\n0.620452 0.786552 0.093735 U\n",
"nsites": 6,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.69794456559032,
"density_atomic": 0.04730587311246129,
"volume": 126.83414564056494,
"volume_molar": 12.730217970363707,
"formula_full": "U6",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy_above_hull": 0.2009299999999996,
"spacegroup": 15
},
{
"id": "jvasp-7806",
"created_at": "2022-09-04T14:36:32.211290Z",
"updated_at": "2022-09-04T14:36:32.211310Z",
"structure_string": "Tl1\n1.0\n3.047166 -0.000000 -1.607677\n-0.848206 2.926734 -1.607677\n-0.087118 -0.115951 3.526492\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 11.195676946026563,
"density_atomic": 0.03298798996579391,
"volume": 30.314062816101423,
"volume_molar": 18.255555328604476,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy_above_hull": 0.0189926,
"spacegroup": 225
},
{
"id": "jvasp-50250",
"created_at": "2022-09-04T14:36:32.211636Z",
"updated_at": "2022-09-04T14:36:32.211649Z",
"structure_string": "Li2 Sb2 O4\n1.0\n3.473721 4.354360 -0.357502\n-3.473721 4.354360 0.357502\n-2.997138 0.000000 4.385426\nLi Sb O\n2 2 4\ndirect\n0.452905 0.452904 0.750001 Li\n0.547095 0.547095 0.250000 Li\n0.891966 0.891966 0.750001 Sb\n0.108034 0.108034 0.250000 Sb\n0.269581 0.804879 0.764692 O\n0.195121 0.730419 0.264691 O\n0.804879 0.269581 0.735310 O\n0.730419 0.195121 0.235309 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"O"
],
"chemical_system": "Li-O-Sb",
"density": 4.327204594241377,
"density_atomic": 0.0648638894954336,
"volume": 123.33518791781977,
"volume_molar": 9.284273278777023,
"formula_full": "Li2 Sb2 O4",
"formula_reduced": "LiSbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3459632750000003,
"spacegroup": 15
},
{
"id": "jvasp-99160",
"created_at": "2022-09-04T14:36:32.211697Z",
"updated_at": "2022-09-04T14:36:32.211727Z",
"structure_string": "Al4 Tl4 Br16\n1.0\n7.407741 0.000000 0.000000\n0.000000 8.221310 -2.502630\n0.000000 0.146377 13.267560\nAl Tl Br\n4 4 16\ndirect\n0.783332 0.289113 0.546677 Al\n0.216668 0.710888 0.453323 Al\n0.783332 0.710888 0.953323 Al\n0.216668 0.289112 0.046677 Al\n0.107111 0.000000 0.250000 Tl\n0.358739 0.500000 0.750000 Tl\n0.641261 0.500000 0.250000 Tl\n0.892889 0.000000 0.750000 Tl\n0.256319 0.202298 0.864971 Br\n0.733071 0.434295 0.893122 Br\n0.743681 0.202298 0.364971 Br\n0.425964 0.847023 0.377609 Br\n0.743681 0.797703 0.135030 Br\n0.071082 0.782299 0.911665 Br\n0.256319 0.797703 0.635030 Br\n0.071082 0.217702 0.588335 Br\n0.425964 0.152977 0.122391 Br\n0.266929 0.565705 0.106878 Br\n0.928918 0.782299 0.411665 Br\n0.928918 0.217702 0.088335 Br\n0.266929 0.434295 0.393122 Br\n0.574036 0.847023 0.877609 Br\n0.574036 0.152977 0.622391 Br\n0.733071 0.565706 0.606878 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Tl",
"density": 4.514104438264317,
"density_atomic": 0.029603104613623334,
"volume": 810.7257773549607,
"volume_molar": 20.342936454133305,
"formula_full": "Al4 Tl4 Br16",
"formula_reduced": "AlTlBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-94862",
"created_at": "2022-09-04T14:36:32.214755Z",
"updated_at": "2022-09-04T14:36:32.214779Z",
"structure_string": "Ce1 Zn2 Au4\n1.0\n-0.000000 0.000000 -5.362684\n-3.511385 3.511385 -2.681341\n3.511385 3.511385 -2.681341\nCe Zn Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.500001 0.500001 Zn\n0.749999 0.500001 0.500001 Zn\n0.698937 -0.000000 0.602124 Au\n0.301061 -0.000000 0.397877 Au\n0.698937 0.602124 -0.000000 Au\n0.301061 0.397877 -0.000000 Au\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Au"
],
"chemical_system": "Au-Ce-Zn",
"density": 13.2951745010999,
"density_atomic": 0.05293329618610591,
"volume": 132.24190640592263,
"volume_molar": 11.376848210674455,
"formula_full": "Ce1 Zn2 Au4",
"formula_reduced": "Ce(ZnAu2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0479952257142858,
"spacegroup": 139
},
{
"id": "jvasp-103968",
"created_at": "2022-09-04T14:36:32.215678Z",
"updated_at": "2022-09-04T14:36:32.215689Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.890062 -0.125520 -0.338017\n-0.786156 4.170664 -0.237144\n-0.012827 0.096139 10.065311\nCd H C O\n1 8 6 4\ndirect\n0.955196 0.634045 0.185836 Cd\n0.847911 0.410677 0.525398 H\n0.428693 0.500329 0.514467 H\n0.657093 0.950421 0.661917 H\n0.710756 0.468095 0.803585 H\n0.511978 0.950201 0.909865 H\n0.076346 0.923686 0.842233 H\n0.211078 0.945031 0.615382 H\n0.272622 0.475029 0.746664 H\n0.251106 0.264796 0.006039 C\n0.321444 0.096011 0.879471 C\n0.452165 0.312615 0.768982 C\n0.456394 0.109099 0.386218 C\n0.566181 0.299413 0.520434 C\n0.470013 0.107235 0.641696 C\n0.001284 0.129102 0.071315 O\n0.204102 0.857916 0.382102 O\n0.601473 0.204228 0.283365 O\n0.427609 0.550011 0.044702 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.623024673385068,
"density_atomic": 0.11699249927074583,
"volume": 162.40357389092023,
"volume_molar": 5.147458852095698,
"formula_full": "Cd1 H8 C6 O4",
"formula_reduced": "CdH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.253597039473684,
"spacegroup": 1
},
{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"S"
],
"chemical_system": "Pd-S-Tl",
"density": 9.082899054615538,
"density_atomic": 0.048335073701674426,
"volume": 144.82237149785303,
"volume_molar": 12.459152947958328,
"formula_full": "Tl2 Pd3 S2",
"formula_reduced": "Tl2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1701074714285715,
"spacegroup": 166
},
{
"id": "jvasp-50950",
"created_at": "2022-09-04T14:36:32.218930Z",
"updated_at": "2022-09-04T14:36:32.218953Z",
"structure_string": "Y4 Mg2 Ni4\n1.0\n7.356540 0.000142 0.000000\n0.000141 7.356637 0.000000\n0.000000 0.000000 3.723050\nY Mg Ni\n4 2 4\ndirect\n0.172083 0.672082 0.500000 Y\n0.327925 0.172077 0.500000 Y\n0.672078 0.827919 0.500000 Y\n0.827921 0.327915 0.500000 Y\n0.000003 -0.000003 0.000000 Mg\n0.500001 0.499997 0.000000 Mg\n0.122121 0.377879 0.000000 Ni\n0.377877 0.877872 0.000000 Ni\n0.622130 0.122124 0.000000 Ni\n0.877878 0.622122 0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Y",
"density": 5.2662675169067,
"density_atomic": 0.0496304489271441,
"volume": 201.48921108248845,
"volume_molar": 12.133963907600975,
"formula_full": "Y4 Mg2 Ni4",
"formula_reduced": "Y2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4099109500000004,
"spacegroup": 127
},
{
"id": "jvasp-7565",
"created_at": "2022-09-04T14:36:32.224264Z",
"updated_at": "2022-09-04T14:36:32.224274Z",
"structure_string": "H1 S1\n1.0\n20.000000 0.000000 0.000000\n0.000000 20.000000 0.000000\n0.000000 0.000000 21.344413\nH S\n1 1\ndirect\n0.500000 0.500000 0.468363 H\n0.500000 0.500000 0.531637 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 0.00643246887573317,
"density_atomic": 0.00023425333833261192,
"volume": 8537.7652,
"volume_molar": 2570.7811905114777,
"formula_full": "H1 S1",
"formula_reduced": "HS",
"formula_anonymous": "AB",
"energy_above_hull": 1.92958,
"spacegroup": 99
},
{
"id": "jvasp-100268",
"created_at": "2022-09-04T14:36:32.225380Z",
"updated_at": "2022-09-04T14:36:32.225416Z",
"structure_string": "Sr2 Sc1 Os1 O6\n1.0\n4.933932 0.000000 2.848608\n1.644644 4.651756 2.848608\n-0.000000 -0.000000 5.697214\nSr Sc Os O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.499999 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Os\n0.756197 0.243802 0.243802 O\n0.243801 0.756199 0.756198 O\n0.243801 0.756199 0.243802 O\n0.756197 0.243802 0.756198 O\n0.243802 0.243802 0.756198 O\n0.756197 0.756199 0.243803 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sc",
"Os",
"O"
],
"chemical_system": "O-Os-Sc-Sr",
"density": 6.431159934981424,
"density_atomic": 0.07647639030547813,
"volume": 130.75930963864653,
"volume_molar": 7.8745096832435415,
"formula_full": "Sr2 Sc1 Os1 O6",
"formula_reduced": "Sr2ScOsO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.350894387,
"spacegroup": 225
},
{
"id": "jvasp-100465",
"created_at": "2022-09-04T14:36:32.230408Z",
"updated_at": "2022-09-04T14:36:32.230437Z",
"structure_string": "Li2 V2 F6\n1.0\n4.614055 -0.020980 3.043210\n1.627556 4.317523 3.043210\n-0.030478 -0.020980 5.527178\nLi V F\n2 2 6\ndirect\n0.137825 0.137825 0.137825 Li\n0.862175 0.862175 0.862176 Li\n0.344729 0.344729 0.344730 V\n0.655270 0.655270 0.655271 V\n0.436791 0.755229 0.057008 F\n0.057008 0.436790 0.755229 F\n0.244772 0.942992 0.563210 F\n0.755228 0.057008 0.436791 F\n0.942992 0.563209 0.244771 F\n0.563209 0.244771 0.942993 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4404973979920306,
"density_atomic": 0.09017919879507175,
"volume": 110.89031765212906,
"volume_molar": 6.677971018222339,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4251910095000001,
"spacegroup": 148
}
]
}