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=chemical_system&page=715",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=713",
"results": [
{
"id": "jvasp-52288",
"created_at": "2022-09-04T14:37:01.517260Z",
"updated_at": "2022-09-04T14:37:01.517283Z",
"structure_string": "Ba2 Ca1 I6\n1.0\n8.420333 -0.000000 -0.000930\n-4.210166 7.292286 0.000466\n0.000223 -0.000000 7.073500\nBa Ca I\n2 1 6\ndirect\n0.333299 0.666670 0.500006 Ba\n0.666629 0.333331 0.500005 Ba\n-0.000009 0.000000 0.000012 Ca\n0.999968 0.681674 0.766852 I\n0.999969 0.318287 0.233195 I\n0.318295 0.318327 0.766852 I\n0.681682 0.681713 0.233195 I\n0.318357 0.000000 0.233087 I\n0.681707 0.000000 0.766796 I\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.114320763480624,
"density_atomic": 0.020721213714747097,
"volume": 434.33749219017915,
"volume_molar": 29.062683503496213,
"formula_full": "Ba2 Ca1 I6",
"formula_reduced": "Ba2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0037272222222222,
"spacegroup": 162
},
{
"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-50799",
"created_at": "2022-09-04T14:37:09.787807Z",
"updated_at": "2022-09-04T14:37:09.787823Z",
"structure_string": "Ba4 Ca2 I12\n1.0\n7.787178 -0.000000 0.000000\n-0.000000 7.787178 0.000000\n0.000000 0.000000 15.097164\nBa Ca I\n4 2 12\ndirect\n0.000000 0.000000 0.333264 Ba\n0.000000 0.000000 0.666735 Ba\n0.500000 0.500000 0.166736 Ba\n0.500000 0.500000 0.833264 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.785789 0.214211 0.500000 I\n0.714211 0.714211 0.000000 I\n0.691012 0.691012 0.652937 I\n0.691012 0.691012 0.347063 I\n0.308988 0.308988 0.652937 I\n0.214211 0.785789 0.500000 I\n0.285789 0.285789 0.000000 I\n0.808988 0.191012 0.152937 I\n0.191012 0.808988 0.847063 I\n0.191012 0.808988 0.152937 I\n0.308988 0.308988 0.347063 I\n0.808988 0.191012 0.847063 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.903910799057311,
"density_atomic": 0.019661512711551764,
"volume": 915.4941567351747,
"volume_molar": 30.629081537870693,
"formula_full": "Ba4 Ca2 I12",
"formula_reduced": "Ba2CaI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0030772222222222,
"spacegroup": 136
},
{
"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-114543",
"created_at": "2022-09-04T14:38:42.409217Z",
"updated_at": "2022-09-04T14:38:42.409247Z",
"structure_string": "Ba1 Ca1 I1\n1.0\n6.327913 -0.000000 -0.000000\n-3.163957 5.480134 0.000000\n-0.000000 -0.000000 3.881477\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Ca\n0.666666 0.333333 0.000000 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.75418673220139,
"density_atomic": 0.022288074980171452,
"volume": 134.6011265068403,
"volume_molar": 27.019564342625312,
"formula_full": "Ba1 Ca1 I1",
"formula_reduced": "BaCaI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0262833333333333,
"spacegroup": 187
},
{
"id": "jvasp-114544",
"created_at": "2022-09-04T14:38:41.115660Z",
"updated_at": "2022-09-04T14:38:41.115678Z",
"structure_string": "Ba1 Ca1 I1\n1.0\n4.074335 -0.000000 -0.000000\n0.000000 4.074335 -0.000000\n0.000000 0.000000 10.168785\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.322982 Ba\n0.000000 0.000000 0.708001 Ca\n0.000000 0.000000 -0.001624 I\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 2.993519080412433,
"density_atomic": 0.017772098853400104,
"volume": 168.80392264001216,
"volume_molar": 33.8853660992768,
"formula_full": "Ba1 Ca1 I1",
"formula_reduced": "BaCaI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0284133333333333,
"spacegroup": 99
},
{
"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-52322",
"created_at": "2022-09-04T14:36:51.547504Z",
"updated_at": "2022-09-04T14:36:51.547540Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.688241 0.066255\n8.658168 0.000000 0.000000\n0.000000 -7.588680 -11.615176\nBa Ca I\n2 4 12\ndirect\n0.051493 0.363918 0.498325 Ba\n0.051493 0.636083 -0.001675 Ba\n0.263162 0.759141 0.744570 Ca\n0.770630 0.759263 0.252084 Ca\n0.263162 0.240859 0.244570 Ca\n0.770630 0.240737 0.752084 Ca\n0.645865 0.196484 0.498317 I\n0.538224 0.434740 0.185223 I\n0.856644 0.720354 0.498329 I\n0.164447 0.434638 0.811484 I\n0.998165 0.071761 0.315343 I\n0.538224 0.565260 0.685223 I\n0.645865 0.803516 0.998317 I\n0.363998 0.928382 0.181161 I\n0.856643 0.279646 -0.001671 I\n0.164447 0.565362 0.311484 I\n0.363998 0.071618 0.681162 I\n0.998165 0.928239 0.815343 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.22858541527015,
"density_atomic": 0.023412394551028292,
"volume": 768.8235374971256,
"volume_molar": 25.72201979116016,
"formula_full": "Ba2 Ca4 I12",
"formula_reduced": "BaCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.5555555555927265e-05,
"spacegroup": 31
},
{
"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-40472",
"created_at": "2022-09-04T14:37:44.520149Z",
"updated_at": "2022-09-04T14:37:44.520162Z",
"structure_string": "Ba3 Ca1 I8\n1.0\n0.000000 8.146856 0.000000\n8.146856 -0.000000 0.000000\n4.073428 4.073428 -8.136930\nBa Ca I\n3 1 8\ndirect\n0.750000 0.250000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.636814 0.120679 0.242506 I\n0.120679 0.120679 0.242506 I\n0.363187 0.363187 0.757494 I\n0.879321 0.363187 0.757494 I\n0.120679 0.636814 0.242506 I\n0.636814 0.636814 0.242506 I\n0.879321 0.879321 0.757494 I\n0.363187 0.879321 0.757494 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 4.511550304543348,
"density_atomic": 0.022219822544042887,
"volume": 540.0583184773088,
"volume_molar": 27.102560103993856,
"formula_full": "Ba3 Ca1 I8",
"formula_reduced": "Ba3CaI8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-49852",
"created_at": "2022-09-04T14:37:11.981952Z",
"updated_at": "2022-09-04T14:37:11.981974Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n7.590095 -0.000000 0.000000\n-0.000000 7.590095 0.000000\n0.000000 0.000000 14.435256\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.332528 Ca\n0.000000 0.000000 0.667472 Ca\n0.500000 0.500000 0.167472 Ca\n0.500000 0.500000 0.832528 Ca\n0.815641 0.184358 0.500000 I\n0.684358 0.684358 0.000000 I\n0.707897 0.707897 0.680251 I\n0.707897 0.707897 0.319749 I\n0.292102 0.292102 0.680251 I\n0.184358 0.815641 0.500000 I\n0.315641 0.315641 0.000000 I\n0.792102 0.207898 0.180251 I\n0.207898 0.792102 0.819749 I\n0.207898 0.792102 0.180251 I\n0.292102 0.292102 0.319749 I\n0.792102 0.207898 0.819749 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"I"
],
"chemical_system": "Ba-Ca-I",
"density": 3.909334792727094,
"density_atomic": 0.0216448007101547,
"volume": 831.6084883865558,
"volume_molar": 27.82257430152591,
"formula_full": "Ba2 Ca4 I12",
"formula_reduced": "BaCa2I6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0031100000000003,
"spacegroup": 136
}
]
}