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_reduced&page=334",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=332",
"results": [
{
"id": "jvasp-12162",
"created_at": "2022-09-04T14:35:50.126579Z",
"updated_at": "2022-09-04T14:35:50.126606Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n6.888576 0.000000 0.077634\n0.000000 4.728891 0.000000\n0.074949 0.000000 8.393813\nBa Ca I\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.270789 0.000000 0.692211 I\n0.250200 0.500000 0.141801 I\n0.749800 0.500000 0.858198 I\n0.729212 0.000000 0.307788 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.160541253690824,
"density_atomic": 0.02194557216206117,
"volume": 273.4036713963018,
"volume_molar": 27.441256557488586,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0040199999999999,
"spacegroup": 10
},
{
"id": "jvasp-47210",
"created_at": "2022-09-04T14:38:06.726012Z",
"updated_at": "2022-09-04T14:38:06.726044Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n4.814993 0.024226 0.047645\n-0.044148 7.381088 0.010020\n-0.082511 0.007873 7.858230\nBa Ca I\n1 1 4\ndirect\n0.514447 0.003099 0.505477 Ba\n0.014616 0.502971 0.005558 Ca\n0.014209 0.726690 0.669134 I\n0.014687 0.279833 0.342349 I\n0.515040 0.742141 0.140433 I\n0.514086 0.263774 0.870784 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.0724508819647385,
"density_atomic": 0.02148092261489404,
"volume": 279.3176116113296,
"volume_molar": 28.034832897840623,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0067916666666666,
"spacegroup": 10
},
{
"id": "jvasp-105699",
"created_at": "2022-09-04T14:35:51.086827Z",
"updated_at": "2022-09-04T14:35:51.086852Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n5.637281 0.000000 0.000000\n-0.000000 5.637281 -0.000000\n-0.000000 -0.000000 8.086781\nBa Ca I\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.264694 I\n0.500000 0.000000 0.264694 I\n0.000000 0.500000 0.735306 I\n0.500000 0.000000 0.735306 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.426282470670982,
"density_atomic": 0.023347275137244636,
"volume": 256.9893045218166,
"volume_molar": 25.79376276074807,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0125916666666666,
"spacegroup": 123
},
{
"id": "jvasp-52354",
"created_at": "2022-09-04T14:36:00.309506Z",
"updated_at": "2022-09-04T14:36:00.309534Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n6.071290 -0.000000 0.000000\n-3.035644 10.861083 -0.000000\n-0.000000 -0.000000 8.071106\nBa Ca I\n2 2 8\ndirect\n0.167844 0.335689 0.918782 Ba\n0.832157 0.664311 0.418782 Ba\n0.409110 0.818217 0.002443 Ca\n0.590891 0.181783 0.502443 Ca\n0.098770 0.197539 0.514457 I\n0.459284 0.918566 0.365449 I\n0.324856 0.649710 0.695477 I\n0.287405 0.574809 0.213100 I\n0.901230 0.802461 0.014456 I\n0.712595 0.425191 0.713101 I\n0.540716 0.081434 0.865450 I\n0.675145 0.350289 0.195477 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.274615035760859,
"density_atomic": 0.02254727618650664,
"volume": 532.2150622868304,
"volume_molar": 26.708950164028835,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0089783333333333,
"spacegroup": 36
},
{
"id": "jvasp-50789",
"created_at": "2022-09-04T14:37:12.368683Z",
"updated_at": "2022-09-04T14:37:12.368711Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n-1.912762 0.000000 8.613217\n2.833191 -7.451054 4.323990\n2.833191 7.451054 4.323990\nBa Ca I\n2 2 8\ndirect\n0.250000 0.385185 0.114815 Ba\n0.750000 0.614816 0.885185 Ba\n0.750000 0.252551 0.247450 Ca\n0.250000 0.747449 0.752551 Ca\n0.216597 0.012134 0.138645 I\n0.914733 0.799911 0.146055 I\n0.283403 0.361355 0.487866 I\n0.585267 0.353946 0.700089 I\n0.414733 0.646055 0.299911 I\n0.716597 0.638645 0.512135 I\n0.085267 0.200089 0.853945 I\n0.783404 0.987866 0.861355 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.672386669169807,
"density_atomic": 0.024645398895241522,
"volume": 486.9063004825997,
"volume_molar": 24.435152320308926,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0046133333333333,
"spacegroup": 15
},
{
"id": "jvasp-50540",
"created_at": "2022-09-04T14:37:11.222799Z",
"updated_at": "2022-09-04T14:37:11.222811Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n0.000021 8.028040 0.000000\n4.014010 -4.014031 8.320830\n8.028040 -0.000021 -0.000000\nBa Ca I\n2 2 8\ndirect\n0.875000 0.250000 0.375000 Ba\n0.125000 0.750000 0.625000 Ba\n0.625000 0.750000 0.125000 Ca\n0.375000 0.250000 0.875000 Ca\n0.080489 0.056053 0.224932 I\n0.275068 0.556053 0.024435 I\n0.780986 0.556053 0.419511 I\n0.524435 0.943947 0.280986 I\n0.475565 0.056053 0.719014 I\n0.219014 0.443947 0.580489 I\n0.724932 0.443947 0.975565 I\n0.919511 0.943947 0.775068 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.242271563310331,
"density_atomic": 0.022376674342815022,
"volume": 536.2727193575621,
"volume_molar": 26.912581680993462,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0071766666666666,
"spacegroup": 88
},
{
"id": "jvasp-52327",
"created_at": "2022-09-04T14:37:05.720104Z",
"updated_at": "2022-09-04T14:37:05.720126Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n-5.362621 4.957156 5.145889\n5.362621 -4.957156 5.145889\n5.362621 4.957156 -5.145889\nBa Ca I\n2 2 8\ndirect\n0.349702 0.250000 0.099702 Ba\n0.650299 0.750000 0.900299 Ba\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.697609 0.071514 0.269123 I\n0.761972 0.561270 0.200701 I\n0.860570 0.061270 0.799300 I\n0.697609 0.428486 0.626095 I\n0.302391 0.571514 0.373905 I\n0.238029 0.438730 0.799299 I\n0.139431 0.938730 0.200701 I\n0.302391 0.928486 0.730877 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.157708854426731,
"density_atomic": 0.02193063212934624,
"volume": 547.1798500482952,
"volume_molar": 27.45995065022105,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0065266666666666,
"spacegroup": 74
},
{
"id": "jvasp-50827",
"created_at": "2022-09-04T14:36:44.286939Z",
"updated_at": "2022-09-04T14:36:44.286958Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n0.000000 7.899272 0.061510\n8.213951 0.000000 0.000000\n0.000000 -1.608435 -8.081999\nBa Ca I\n2 2 8\ndirect\n0.500000 0.269261 0.250000 Ba\n0.500000 0.730739 0.750000 Ba\n0.000000 0.838438 0.250000 Ca\n0.000000 0.161562 0.750000 Ca\n0.754350 0.565845 0.100933 I\n0.750029 0.932828 0.488597 I\n0.754350 0.434155 0.600933 I\n0.750029 0.067172 0.988597 I\n0.249971 0.932828 0.011403 I\n0.245650 0.565845 0.399067 I\n0.249971 0.067172 0.511403 I\n0.245651 0.434155 0.899067 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.345099675712988,
"density_atomic": 0.02291906092749777,
"volume": 523.581661480845,
"volume_molar": 26.275687206602658,
"formula_full": "Ba2 Ca2 I8",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-40473",
"created_at": "2022-09-04T14:37:43.092919Z",
"updated_at": "2022-09-04T14:37:43.092933Z",
"structure_string": "Ba4 Ca4 I16\n1.0\n9.987249 0.000000 0.000000\n-0.000000 10.429250 0.000000\n0.000000 0.000000 10.248678\nBa Ca I\n4 4 16\ndirect\n0.832929 0.250000 0.750000 Ba\n0.667071 0.250000 0.250000 Ba\n0.332929 0.750000 0.750000 Ba\n0.167071 0.750000 0.250000 Ba\n0.750000 0.730868 0.000000 Ca\n0.750000 0.769132 0.500000 Ca\n0.250000 0.230868 0.500000 Ca\n0.250000 0.269132 0.000000 Ca\n0.201883 0.065120 0.773233 I\n0.201883 0.434880 0.726767 I\n0.298117 0.065120 0.226767 I\n0.298117 0.434880 0.273233 I\n0.453402 0.785621 0.447152 I\n0.453402 0.714379 0.052848 I\n0.546598 0.285621 0.947152 I\n0.798117 0.565120 0.273233 I\n0.701883 0.565120 0.726767 I\n0.701883 0.934880 0.773233 I\n0.046598 0.785621 0.552848 I\n0.798117 0.934880 0.226767 I\n0.953402 0.214379 0.447152 I\n0.953402 0.285621 0.052848 I\n0.546598 0.214379 0.552848 I\n0.046598 0.714379 0.947152 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.2623328568164,
"density_atomic": 0.02248249147992697,
"volume": 1067.4973466098234,
"volume_molar": 26.785913675878604,
"formula_full": "Ba4 Ca4 I16",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0081849999999999,
"spacegroup": 52
},
{
"id": "jvasp-50613",
"created_at": "2022-09-04T14:37:16.738972Z",
"updated_at": "2022-09-04T14:37:16.738992Z",
"structure_string": "Ba1 Ca1 I4\n1.0\n9.646695 0.159043 0.098423\n1.781114 -5.428144 0.000000\n1.781114 -2.421857 -4.857918\nBa Ca I\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500001 Ca\n0.142042 0.619319 0.619319 I\n0.394480 0.868506 0.868507 I\n0.605519 0.131493 0.131494 I\n0.857957 0.380681 0.380682 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.438508017544096,
"density_atomic": 0.023411761127111123,
"volume": 256.2814462108928,
"volume_molar": 25.722715720972754,
"formula_full": "Ba1 Ca1 I4",
"formula_reduced": "BaCaI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0113966666666666,
"spacegroup": 166
},
{
"id": "jvasp-66241",
"created_at": "2022-09-04T14:35:42.288133Z",
"updated_at": "2022-09-04T14:35:42.288159Z",
"structure_string": "Ba1 Ca1 In1\n1.0\n-0.000000 3.969786 3.969786\n3.969786 0.000000 3.969786\n3.969786 3.969786 0.000000\nBa Ca In\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"In"
],
"chemical_system": "Ba-Ca-In",
"density": 3.8782179253852602,
"density_atomic": 0.02397673104378806,
"volume": 125.12131009524111,
"volume_molar": 25.116604715638367,
"formula_full": "Ba1 Ca1 In1",
"formula_reduced": "BaCaIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0729033333333333,
"spacegroup": 216
},
{
"id": "jvasp-66162",
"created_at": "2022-09-04T14:36:17.752593Z",
"updated_at": "2022-09-04T14:36:17.752622Z",
"structure_string": "Ba1 Ca1 In1\n1.0\n0.000000 3.880197 3.880197\n3.880197 0.000000 3.880197\n3.880197 3.880197 0.000000\nBa Ca In\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750001 0.750001 0.750001 Ca\n0.000000 0.000000 0.000000 In\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"In"
],
"chemical_system": "Ba-Ca-In",
"density": 4.153097912954409,
"density_atomic": 0.025676151668948148,
"volume": 116.8399392042888,
"volume_molar": 23.45421867593565,
"formula_full": "Ba1 Ca1 In1",
"formula_reduced": "BaCaIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}