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=-nsites&page=4000",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=3998",
"results": [
{
"id": "jvasp-123362",
"created_at": "2022-09-04T14:38:50.483859Z",
"updated_at": "2022-09-04T14:38:50.483898Z",
"structure_string": "U1 Ag3\n1.0\n4.455618 -0.000000 -0.000000\n-0.000000 4.455618 0.000000\n-0.000000 0.000000 4.455618\nU Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Ag"
],
"chemical_system": "Ag-U",
"density": 10.543341178959942,
"density_atomic": 0.04522058143029472,
"volume": 88.4552978640003,
"volume_molar": 13.317256367618429,
"formula_full": "U1 Ag3",
"formula_reduced": "UAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4111519450000003,
"spacegroup": 221
},
{
"id": "jvasp-120012",
"created_at": "2022-09-04T14:38:50.515498Z",
"updated_at": "2022-09-04T14:38:50.515524Z",
"structure_string": "Y1 C1 Br2\n1.0\n3.590559 0.000000 -0.000000\n0.000000 3.590559 0.000000\n0.000000 0.000000 7.559690\nY C Br\n1 1 2\ndirect\n0.500000 0.500000 0.743636 Y\n0.000000 0.000000 0.722378 C\n0.000000 0.000000 0.450728 Br\n0.500000 0.500000 0.093258 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"C",
"Br"
],
"chemical_system": "Br-C-Y",
"density": 4.442249042004084,
"density_atomic": 0.04104231692975382,
"volume": 97.46038477423728,
"volume_molar": 14.673003890855446,
"formula_full": "Y1 C1 Br2",
"formula_reduced": "YCBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.099510915,
"spacegroup": 99
},
{
"id": "jvasp-115805",
"created_at": "2022-09-04T14:38:50.548167Z",
"updated_at": "2022-09-04T14:38:50.548188Z",
"structure_string": "Ca1 Si1 N2\n1.0\n1.493659 0.862365 5.297569\n-1.493659 0.862365 5.297569\n0.000000 -1.724729 5.297569\nCa Si N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500002 Si\n0.770275 0.770275 0.770279 N\n0.229723 0.229723 0.229725 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Si",
"N"
],
"chemical_system": "Ca-N-Si",
"density": 3.900763189515235,
"density_atomic": 0.09769890693838237,
"volume": 40.942116195043575,
"volume_molar": 6.1639796684707,
"formula_full": "Ca1 Si1 N2",
"formula_reduced": "CaSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.00688638,
"spacegroup": 166
},
{
"id": "jvasp-116337",
"created_at": "2022-09-04T14:38:50.579879Z",
"updated_at": "2022-09-04T14:38:50.579900Z",
"structure_string": "Mn1 F3\n1.0\n3.792050 0.114916 -0.538043\n0.217032 -2.936050 0.242208\n1.306798 -2.262745 -4.232863\nMn F\n1 3\ndirect\n0.411718 0.100903 0.897731 Mn\n0.911698 0.100931 0.897747 F\n0.553989 -0.225376 0.597893 F\n0.269340 0.427229 0.197580 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.909154202998719,
"density_atomic": 0.08412683774903597,
"volume": 47.54725254184224,
"volume_molar": 7.158406188956043,
"formula_full": "Mn1 F3",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3464820222198276,
"spacegroup": 2
},
{
"id": "jvasp-118119",
"created_at": "2022-09-04T14:38:50.714797Z",
"updated_at": "2022-09-04T14:38:50.714817Z",
"structure_string": "Sn1 P1 Cl2\n1.0\n3.932836 0.000000 0.000000\n0.000000 3.932836 0.000000\n0.000000 0.000000 7.129228\nSn P Cl\n1 1 2\ndirect\n0.500000 0.500000 0.738101 Sn\n0.000000 0.000000 0.788955 P\n0.000000 0.000000 0.080454 Cl\n0.500000 0.500000 0.402490 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"P",
"Cl"
],
"chemical_system": "Cl-P-Sn",
"density": 3.3218519463966762,
"density_atomic": 0.03627486576098476,
"volume": 110.26918821301825,
"volume_molar": 16.60141432274322,
"formula_full": "Sn1 P1 Cl2",
"formula_reduced": "SnPCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7776813337499999,
"spacegroup": 99
},
{
"id": "jvasp-113634",
"created_at": "2022-09-04T14:38:50.613361Z",
"updated_at": "2022-09-04T14:38:50.613388Z",
"structure_string": "Ge1 H3\n1.0\n4.422491 -0.538467 -0.689214\n-2.597152 -3.702896 0.228291\n-0.444220 -1.101356 -2.720314\nGe H\n1 3\ndirect\n0.201884 0.699435 0.175154 Ge\n0.212291 0.052651 0.848363 H\n0.865231 0.349702 0.232620 H\n0.527646 0.697457 0.009014 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 2.580936860230021,
"density_atomic": 0.08216748808267349,
"volume": 48.681054920108636,
"volume_molar": 7.329104126854619,
"formula_full": "Ge1 H3",
"formula_reduced": "GeH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2032389875,
"spacegroup": 1
},
{
"id": "jvasp-118107",
"created_at": "2022-09-04T14:38:50.649944Z",
"updated_at": "2022-09-04T14:38:50.649968Z",
"structure_string": "Cl2 O2\n1.0\n3.045859 0.000000 0.000000\n0.000000 3.045859 -0.000000\n0.000000 0.000000 6.504727\nCl O\n2 2\ndirect\n0.000000 0.000000 0.250000 Cl\n0.500000 0.500000 0.750001 Cl\n0.000000 0.000000 0.749994 O\n0.500000 0.500000 0.250007 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.831627140721389,
"density_atomic": 0.0662843996670845,
"volume": 60.34602440529184,
"volume_molar": 9.08530633187657,
"formula_full": "Cl2 O2",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 1.2437437837499998,
"spacegroup": 139
},
{
"id": "jvasp-118877",
"created_at": "2022-09-04T14:38:50.629182Z",
"updated_at": "2022-09-04T14:38:50.629199Z",
"structure_string": "As2 I2\n1.0\n5.247580 -3.535601 0.017582\n8.570759 -13.345519 -1.450552\n-0.215985 -3.885332 -4.091372\nAs I\n2 2\ndirect\n0.353182 -0.090499 0.336806 As\n0.062476 0.411145 -0.022327 As\n0.922581 0.392029 0.641017 I\n0.511728 0.890442 -0.154277 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.10778688328792,
"density_atomic": 0.030481504786642757,
"volume": 131.2271171649253,
"volume_molar": 19.756704277404808,
"formula_full": "As2 I2",
"formula_reduced": "AsI",
"formula_anonymous": "AB",
"energy_above_hull": 0.6452290125,
"spacegroup": 1
},
{
"id": "jvasp-113640",
"created_at": "2022-09-04T14:38:50.634995Z",
"updated_at": "2022-09-04T14:38:50.635029Z",
"structure_string": "Hg1 I3\n1.0\n7.590675 0.061672 -0.033160\n-1.634631 -3.074208 -0.678019\n2.068556 -1.336448 -8.184062\nHg I\n1 3\ndirect\n0.981304 0.058481 0.943388 Hg\n0.374157 0.844731 0.156764 I\n0.567700 0.231916 0.770320 I\n0.757536 0.609241 0.395486 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 5.277488703331547,
"density_atomic": 0.02186932283212002,
"volume": 182.90461166566624,
"volume_molar": 27.536932927594506,
"formula_full": "Hg1 I3",
"formula_reduced": "HgI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 44
},
{
"id": "jvasp-118883",
"created_at": "2022-09-04T14:38:50.669494Z",
"updated_at": "2022-09-04T14:38:50.669510Z",
"structure_string": "As1 I3\n1.0\n7.647281 -0.000000 -0.000000\n-3.823640 6.622740 0.000000\n-0.000000 -0.000000 3.185575\nAs I\n1 3\ndirect\n0.000000 0.000000 0.000000 As\n0.371320 0.000000 0.000000 I\n1.000000 0.371320 0.000000 I\n0.628680 0.628680 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 4.689576186427769,
"density_atomic": 0.024792904223204102,
"volume": 161.33648418067665,
"volume_molar": 24.2897754364887,
"formula_full": "As1 I3",
"formula_reduced": "AsI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.34744014375,
"spacegroup": 189
},
{
"id": "jvasp-118880",
"created_at": "2022-09-04T14:38:50.700154Z",
"updated_at": "2022-09-04T14:38:50.700179Z",
"structure_string": "As2 I2\n1.0\n4.369130 0.000000 0.000000\n0.000000 4.369130 0.000000\n0.000000 0.000000 6.205115\nAs I\n2 2\ndirect\n0.000000 0.000000 0.250009 As\n0.500000 0.500000 0.749990 As\n0.000000 0.000000 0.750023 I\n0.500000 0.500000 0.249977 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"I"
],
"chemical_system": "As-I",
"density": 5.658698930493988,
"density_atomic": 0.03376915726464148,
"volume": 118.45128288671455,
"volume_molar": 17.83325746865935,
"formula_full": "As2 I2",
"formula_reduced": "AsI",
"formula_anonymous": "AB",
"energy_above_hull": 0.9036390125,
"spacegroup": 225
},
{
"id": "jvasp-110857",
"created_at": "2022-09-04T14:38:50.706307Z",
"updated_at": "2022-09-04T14:38:50.706345Z",
"structure_string": "Sn3 Ge1\n1.0\n4.230123 -0.165864 -3.869506\n-0.931575 4.129603 -3.869506\n0.138029 0.165864 5.731314\nSn Ge\n3 1\ndirect\n0.749999 0.250000 0.499999 Sn\n0.249999 0.749999 0.499998 Sn\n0.499999 0.500000 -0.000001 Sn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Ge"
],
"chemical_system": "Ge-Sn",
"density": 6.7911823981694495,
"density_atomic": 0.03815328156610218,
"volume": 104.8402610682342,
"volume_molar": 15.784070236701357,
"formula_full": "Sn3 Ge1",
"formula_reduced": "Sn3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5487552625,
"spacegroup": 139
}
]
}