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=energy_above_hull&page=106",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=104",
"results": [
{
"id": "jvasp-1420",
"created_at": "2022-09-04T14:36:20.313327Z",
"updated_at": "2022-09-04T14:36:20.313348Z",
"structure_string": "Na2 Te1\n1.0\n4.454749 -0.000000 2.571951\n1.484916 4.199977 2.571951\n-0.000000 -0.000000 5.143901\nNa Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750001 0.749999 Na\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Te"
],
"chemical_system": "Na-Te",
"density": 2.994917574497954,
"density_atomic": 0.031171557467108278,
"volume": 96.24158187044556,
"volume_molar": 19.319345099629572,
"formula_full": "Na2 Te1",
"formula_reduced": "Na2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-89067",
"created_at": "2022-09-04T14:36:01.311188Z",
"updated_at": "2022-09-04T14:36:01.311200Z",
"structure_string": "La4 Zn4 Sn4\n1.0\n4.619877 -0.000000 0.000000\n-2.309938 4.000930 0.000000\n0.000000 0.000000 17.079392\nLa Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 La\n0.000000 0.000000 0.250000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.843547 Zn\n0.666667 0.333333 0.656452 Zn\n0.333333 0.666667 0.156453 Zn\n0.333333 0.666667 0.343547 Zn\n0.666667 0.333333 0.115599 Sn\n0.666667 0.333333 0.384401 Sn\n0.333333 0.666667 0.884401 Sn\n0.333333 0.666667 0.615599 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Zn",
"Sn"
],
"chemical_system": "La-Sn-Zn",
"density": 6.796428288915925,
"density_atomic": 0.038011715801507404,
"volume": 315.6921424610915,
"volume_molar": 15.842854322722218,
"formula_full": "La4 Zn4 Sn4",
"formula_reduced": "LaZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-18533",
"created_at": "2022-09-04T14:36:59.495015Z",
"updated_at": "2022-09-04T14:36:59.495041Z",
"structure_string": "Sr4 Bi2\n1.0\n4.905336 0.000000 -1.337372\n-0.364616 4.891766 -1.337372\n0.014179 0.015275 9.716815\nSr Bi\n4 2\ndirect\n0.500000 -0.000000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n0.323141 0.323142 0.646283 Sr\n0.676859 0.676860 0.353717 Sr\n0.135746 0.135746 0.271491 Bi\n0.864254 0.864255 0.728509 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 5.467993656997225,
"density_atomic": 0.025711045656558594,
"volume": 233.36273756215235,
"volume_molar": 23.422387562303676,
"formula_full": "Sr4 Bi2",
"formula_reduced": "Sr2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-50671",
"created_at": "2022-09-04T14:36:31.629094Z",
"updated_at": "2022-09-04T14:36:31.629112Z",
"structure_string": "Li2 Cu2 F6\n1.0\n2.538184 1.327391 -4.191080\n2.538184 4.864615 0.003548\n2.538184 -1.327391 4.191080\nLi Cu F\n2 2 6\ndirect\n0.386516 0.420225 0.193258 Li\n0.386515 0.920225 0.693257 Li\n0.978116 0.532825 0.489057 Cu\n0.978115 0.032825 0.989057 Cu\n0.162022 0.251786 0.270004 F\n0.162022 0.751786 0.392018 F\n0.478208 0.751785 0.086190 F\n0.478208 0.251786 0.892018 F\n0.856194 0.251786 0.586189 F\n0.856194 0.751786 0.770003 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 4.089788437121433,
"density_atomic": 0.09659889694709618,
"volume": 103.52085081754761,
"volume_molar": 6.2341713521823285,
"formula_full": "Li2 Cu2 F6",
"formula_reduced": "LiCuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 161
},
{
"id": "jvasp-105867",
"created_at": "2022-09-04T14:36:04.523840Z",
"updated_at": "2022-09-04T14:36:04.523869Z",
"structure_string": "Th1 Mg1 Hg2\n1.0\n4.502280 -0.000000 2.599392\n1.500760 4.244789 2.599392\n0.000000 0.000000 5.198784\nTh Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Th",
"density": 10.989291779112545,
"density_atomic": 0.04025961429817938,
"volume": 99.35514956438338,
"volume_molar": 14.958267397689236,
"formula_full": "Th1 Mg1 Hg2",
"formula_reduced": "ThMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107133",
"created_at": "2022-09-04T14:36:52.661443Z",
"updated_at": "2022-09-04T14:36:52.661463Z",
"structure_string": "Rb2 Pr1 Ag1 F6\n1.0\n5.738866 -0.000000 3.313336\n1.912955 5.410655 3.313336\n-0.000000 -0.000000 6.626672\nRb Pr Ag F\n2 1 1 6\ndirect\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.500000 Ag\n0.756531 0.756531 0.243470 F\n0.756531 0.243470 0.243470 F\n0.243470 0.243470 0.756530 F\n0.756531 0.243470 0.756530 F\n0.243470 0.756531 0.243470 F\n0.243470 0.756531 0.756530 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pr",
"Ag",
"F"
],
"chemical_system": "Ag-F-Pr-Rb",
"density": 4.307015347273301,
"density_atomic": 0.04859914154807597,
"volume": 205.76495142630554,
"volume_molar": 12.391455009637749,
"formula_full": "Rb2 Pr1 Ag1 F6",
"formula_reduced": "Rb2PrAgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-65633",
"created_at": "2022-09-04T14:35:41.078384Z",
"updated_at": "2022-09-04T14:35:41.078403Z",
"structure_string": "Ba2 Bi1 Cl1\n1.0\n0.000000 4.178392 4.178392\n4.178392 0.000000 4.178392\n4.178392 4.178392 -0.000000\nBa Bi Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Cl"
],
"chemical_system": "Ba-Bi-Cl",
"density": 5.907885164416756,
"density_atomic": 0.027415896487819575,
"volume": 145.90075512493758,
"volume_molar": 21.965872108816637,
"formula_full": "Ba2 Bi1 Cl1",
"formula_reduced": "Ba2BiCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-18871",
"created_at": "2022-09-04T14:36:16.580250Z",
"updated_at": "2022-09-04T14:36:16.580266Z",
"structure_string": "Rb2 Hg7\n1.0\n3.585367 -6.210038 0.000000\n3.585367 6.210038 -0.000000\n-0.000000 -0.000000 6.533026\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.837991 Rb\n0.666667 0.333333 0.162009 Rb\n0.181271 0.362540 0.332115 Hg\n0.637461 0.818730 0.332115 Hg\n0.181271 0.818730 0.332115 Hg\n0.818730 0.637461 0.667886 Hg\n0.818730 0.181271 0.667886 Hg\n0.362540 0.181271 0.667886 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.990326973803336,
"density_atomic": 0.03093643406347053,
"volume": 290.9191143858148,
"volume_molar": 19.466176184510196,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-102856",
"created_at": "2022-09-04T14:36:32.374895Z",
"updated_at": "2022-09-04T14:36:32.374922Z",
"structure_string": "K2 Li1 Ti1 F6\n1.0\n4.942687 0.000000 2.853662\n1.647562 4.660010 2.853662\n-0.000000 0.000000 5.707324\nK Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.246023 0.246023 0.753976 F\n0.246023 0.753977 0.753976 F\n0.753977 0.753977 0.246023 F\n0.246023 0.753977 0.246023 F\n0.753977 0.246023 0.753976 F\n0.753977 0.246023 0.246023 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Ti",
"F"
],
"chemical_system": "F-K-Li-Ti",
"density": 3.1200015323960444,
"density_atomic": 0.07607071780983422,
"volume": 131.45662730564146,
"volume_molar": 7.916503134694324,
"formula_full": "K2 Li1 Ti1 F6",
"formula_reduced": "K2LiTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106453",
"created_at": "2022-09-04T14:36:46.495837Z",
"updated_at": "2022-09-04T14:36:46.495869Z",
"structure_string": "Na2 Al1 Hg1 Cl6\n1.0\n6.294766 -0.000000 3.634285\n2.098255 5.934762 3.634285\n-0.000000 -0.000000 7.268570\nNa Al Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500001 0.500000 0.499999 Hg\n0.772860 0.227140 0.227139 Cl\n0.227141 0.227140 0.772859 Cl\n0.227141 0.772859 0.772859 Cl\n0.227141 0.772859 0.227139 Cl\n0.772860 0.227140 0.772859 Cl\n0.772861 0.772859 0.227139 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-Na",
"density": 2.973677558207323,
"density_atomic": 0.036827151216678816,
"volume": 271.5387878134612,
"volume_molar": 16.352448020124363,
"formula_full": "Na2 Al1 Hg1 Cl6",
"formula_reduced": "Na2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2703",
"created_at": "2022-09-04T14:36:51.776810Z",
"updated_at": "2022-09-04T14:36:51.776826Z",
"structure_string": "Na6 Sb2\n1.0\n2.668617 -4.622181 0.000000\n2.668617 4.622181 0.000000\n0.000000 0.000000 9.491715\nNa Sb\n6 2\ndirect\n0.333334 0.666668 0.082540 Na\n0.666668 0.333334 0.582539 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.417460 Na\n0.666668 0.333334 0.917460 Na\n0.666668 0.333334 0.250000 Sb\n0.333334 0.666668 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Sb"
],
"chemical_system": "Na-Sb",
"density": 2.7051331366114573,
"density_atomic": 0.03416505352708613,
"volume": 234.15739693361175,
"volume_molar": 17.62661005411753,
"formula_full": "Na6 Sb2",
"formula_reduced": "Na3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-33812",
"created_at": "2022-09-04T14:38:06.461492Z",
"updated_at": "2022-09-04T14:38:06.461530Z",
"structure_string": "Nd2 I6\n1.0\n10.496974 0.000037 -0.000000\n-5.248456 9.090656 -0.000000\n-0.000000 -0.000000 4.134965\nNd I\n2 6\ndirect\n0.666666 0.333334 0.250000 Nd\n0.333333 0.666666 0.749998 Nd\n0.203293 0.406589 0.250000 I\n0.796705 0.203294 0.749998 I\n0.406590 0.203295 0.749998 I\n0.796706 0.593411 0.749998 I\n0.203295 0.796706 0.250000 I\n0.593410 0.796705 0.250000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"I"
],
"chemical_system": "I-Nd",
"density": 4.418444882627171,
"density_atomic": 0.020274862607990142,
"volume": 394.5772730833338,
"volume_molar": 29.70249849005994,
"formula_full": "Nd2 I6",
"formula_reduced": "NdI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}