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=-elements&page=4463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4461",
"results": [
{
"id": "jvasp-120944",
"created_at": "2022-09-04T14:38:54.550053Z",
"updated_at": "2022-09-04T14:38:54.550075Z",
"structure_string": "Ca2 Br1\n1.0\n5.908811 -0.000000 0.000000\n-2.954405 5.117180 -0.000000\n-0.000000 -0.000000 3.757838\nCa Br\n2 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 2.33917688436735,
"density_atomic": 0.026402947266774727,
"volume": 113.62367881464422,
"volume_molar": 22.80859291636058,
"formula_full": "Ca2 Br1",
"formula_reduced": "Ca2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2007034733333334,
"spacegroup": 191
},
{
"id": "jvasp-22667",
"created_at": "2022-09-04T14:37:09.132627Z",
"updated_at": "2022-09-04T14:37:09.132645Z",
"structure_string": "Ca2 Br4\n1.0\n4.305822 0.000000 0.000000\n0.000000 6.505609 -0.000000\n0.000000 -0.000000 6.913668\nCa Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.245147 0.844166 Br\n0.000000 0.745147 0.655834 Br\n0.000000 0.254853 0.344166 Br\n0.500000 0.754853 0.155834 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Br"
],
"chemical_system": "Br-Ca",
"density": 3.427748264812632,
"density_atomic": 0.030981233124402395,
"volume": 193.6656289924785,
"volume_molar": 19.438027969444043,
"formula_full": "Ca2 Br4",
"formula_reduced": "CaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0095399999999999,
"spacegroup": 58
},
{
"id": "jvasp-56246",
"created_at": "2022-09-04T14:38:35.574798Z",
"updated_at": "2022-09-04T14:38:35.574831Z",
"structure_string": "Ca4 Bi2\n1.0\n4.640501 -0.000000 -1.273418\n-0.349443 4.627326 -1.273418\n0.011768 0.012690 9.134883\nCa Bi\n4 2\ndirect\n0.673670 0.673670 0.347338 Ca\n0.500000 0.000000 -0.000000 Ca\n0.326331 0.326331 0.652661 Ca\n0.000000 0.500000 0.000000 Ca\n0.136871 0.136871 0.273742 Bi\n0.863130 0.863130 0.726257 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 4.891611666865346,
"density_atomic": 0.030564786043508936,
"volume": 196.3043350429153,
"volume_molar": 19.702872290443942,
"formula_full": "Ca4 Bi2",
"formula_reduced": "Ca2Bi",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-93900",
"created_at": "2022-09-04T14:36:19.898993Z",
"updated_at": "2022-09-04T14:36:19.899024Z",
"structure_string": "Ca2 Bi4\n1.0\n-0.000000 0.000000 -4.590738\n-4.760206 0.000000 -0.000000\n2.380103 8.574916 -0.000000\nCa Bi\n2 4\ndirect\n0.750000 0.099203 0.198405 Ca\n0.250000 0.900799 0.801596 Ca\n0.750000 0.434410 0.868819 Bi\n0.250000 0.565592 0.131181 Bi\n0.750000 0.742537 0.485072 Bi\n0.250000 0.257465 0.514928 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 8.117891302566932,
"density_atomic": 0.03201939493903059,
"volume": 187.38642661502007,
"volume_molar": 18.807790626484355,
"formula_full": "Ca2 Bi4",
"formula_reduced": "CaBi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3442054833333334,
"spacegroup": 63
},
{
"id": "jvasp-123789",
"created_at": "2022-09-04T14:38:55.396956Z",
"updated_at": "2022-09-04T14:38:55.396985Z",
"structure_string": "Ca1 Bi5\n1.0\n2.263816 -3.921055 0.000000\n2.263816 3.921055 -0.000000\n0.000000 -0.000000 11.793818\nCa Bi\n1 5\ndirect\n0.000000 0.000000 0.250004 Ca\n0.666667 0.333334 0.080078 Bi\n0.666667 0.333334 0.579527 Bi\n0.333334 0.666667 0.419933 Bi\n0.333334 0.666667 0.920445 Bi\n0.000000 0.000000 0.750013 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 8.604831170578366,
"density_atomic": 0.028656475442772885,
"volume": 209.3767606550927,
"volume_molar": 21.014938742296636,
"formula_full": "Ca1 Bi5",
"formula_reduced": "CaBi5",
"formula_anonymous": "AB5",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-39921",
"created_at": "2022-09-04T14:37:43.427491Z",
"updated_at": "2022-09-04T14:37:43.427511Z",
"structure_string": "Ca1 Bi3\n1.0\n4.989708 0.000000 0.000000\n0.000000 4.989708 -0.000000\n-0.000000 -0.000000 4.989708\nCa Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 8.915835332819208,
"density_atomic": 0.032198422705537515,
"volume": 124.2296877887772,
"volume_molar": 18.70321666087174,
"formula_full": "Ca1 Bi3",
"formula_reduced": "CaBi3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5644151875000001,
"spacegroup": 221
},
{
"id": "jvasp-36512",
"created_at": "2022-09-04T14:37:30.933236Z",
"updated_at": "2022-09-04T14:37:30.933262Z",
"structure_string": "Ca3 Bi2\n1.0\n5.851847 0.000000 -0.000000\n0.000000 5.851847 0.000000\n0.000000 0.000000 5.851847\nCa Bi\n3 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Bi"
],
"chemical_system": "Bi-Ca",
"density": 4.459741707565846,
"density_atomic": 0.024951181547541477,
"volume": 200.39131174902883,
"volume_molar": 24.13569372867387,
"formula_full": "Ca3 Bi2",
"formula_reduced": "Ca3Bi2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.24713243,
"spacegroup": 221
},
{
"id": "jvasp-20212",
"created_at": "2022-09-04T14:37:34.537632Z",
"updated_at": "2022-09-04T14:37:34.537659Z",
"structure_string": "Ca2 Be26\n1.0\n6.269124 -0.000000 3.619480\n2.089708 5.910586 3.619480\n-0.000000 -0.000000 7.238961\nCa Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.935102 0.288301 0.711699 Be\n0.711699 0.064898 0.935103 Be\n0.064898 0.711700 0.288300 Be\n0.211699 0.435103 0.564897 Be\n0.435102 0.564898 0.211699 Be\n0.564897 0.211699 0.435103 Be\n0.211699 0.564898 0.788301 Be\n0.211699 0.788301 0.435102 Be\n0.788300 0.564898 0.435102 Be\n0.288301 0.711700 0.935102 Be\n0.288301 0.064898 0.711699 Be\n0.064898 0.935103 0.711699 Be\n0.000000 0.000000 0.000000 Be\n0.711699 0.288301 0.064898 Be\n0.935102 0.064898 0.288301 Be\n0.064898 0.288301 0.935102 Be\n0.788300 0.435103 0.211699 Be\n0.435102 0.788301 0.564897 Be\n0.435102 0.211699 0.788301 Be\n0.564897 0.788301 0.211699 Be\n0.788300 0.211699 0.564898 Be\n0.564897 0.435103 0.788301 Be\n0.288301 0.935103 0.064897 Be\n0.500000 0.500000 0.500000 Be\n0.935102 0.711700 0.064898 Be\n0.711699 0.935103 0.288301 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ca",
"Be"
],
"chemical_system": "Be-Ca",
"density": 1.9467870713699211,
"density_atomic": 0.10438651379557495,
"volume": 268.2338836876354,
"volume_molar": 5.769079300601459,
"formula_full": "Ca2 Be26",
"formula_reduced": "CaBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.0621692657142856,
"spacegroup": 226
},
{
"id": "jvasp-19870",
"created_at": "2022-09-04T14:36:00.285702Z",
"updated_at": "2022-09-04T14:36:00.285720Z",
"structure_string": "Ca1 B6\n1.0\n4.139768 0.000000 0.000000\n-0.000000 4.139768 0.000000\n-0.000000 -0.000000 4.139768\nCa B\n1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.201511 0.500000 0.500000 B\n0.500000 0.500000 0.798490 B\n0.500000 0.500000 0.201511 B\n0.500000 0.201511 0.500000 B\n0.500000 0.798490 0.500000 B\n0.798490 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ca",
"B"
],
"chemical_system": "B-Ca",
"density": 2.456284691398451,
"density_atomic": 0.09866656992627044,
"volume": 70.9460155068816,
"volume_molar": 6.103527024908339,
"formula_full": "Ca1 B6",
"formula_reduced": "CaB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.243069417142857,
"spacegroup": 221
},
{
"id": "jvasp-36379",
"created_at": "2022-09-04T14:37:15.664562Z",
"updated_at": "2022-09-04T14:37:15.664588Z",
"structure_string": "Ca1 B2\n1.0\n1.607583 -2.784416 -0.000000\n1.607583 2.784416 -0.000000\n-0.000000 0.000000 4.071223\nCa B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.500000 B\n0.666666 0.333332 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"B"
],
"chemical_system": "B-Ca",
"density": 2.8110712201579116,
"density_atomic": 0.08231118272297931,
"volume": 36.44705252379361,
"volume_molar": 7.316309352846612,
"formula_full": "Ca1 B2",
"formula_reduced": "CaB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4353518622222223,
"spacegroup": 191
},
{
"id": "jvasp-79766",
"created_at": "2022-09-04T14:37:17.563198Z",
"updated_at": "2022-09-04T14:37:17.563218Z",
"structure_string": "Ca2 Au2\n1.0\n3.713385 0.000000 -1.328101\n-0.000000 4.613700 0.000000\n0.002106 -0.000000 5.861272\nCa Au\n2 2\ndirect\n0.861569 0.250000 0.723135 Ca\n0.138433 0.750000 0.276865 Ca\n0.584976 0.250000 0.169950 Au\n0.415027 0.750000 0.830051 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.838664738381861,
"density_atomic": 0.03982841086841975,
"volume": 100.43082093369763,
"volume_molar": 15.120213507627046,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 3.4999999999951736e-05,
"spacegroup": 63
},
{
"id": "jvasp-85259",
"created_at": "2022-09-04T14:37:17.960722Z",
"updated_at": "2022-09-04T14:37:17.960746Z",
"structure_string": "Ca10 Au8\n1.0\n7.249469 0.000000 -2.607396\n0.000000 8.047824 0.000000\n-0.070891 0.000000 8.047518\nCa Au\n10 8\ndirect\n0.062074 0.321842 0.689986 Ca\n0.500000 0.500000 -0.000000 Ca\n0.755651 0.167523 0.255582 Ca\n0.244349 0.832476 0.744418 Ca\n0.937926 0.678157 0.310014 Ca\n0.744349 0.667523 0.744417 Ca\n0.255651 0.332477 0.255582 Ca\n0.437926 0.821842 0.310014 Ca\n0.562074 0.178158 0.689986 Ca\n0.000000 0.000000 0.000000 Ca\n0.153883 0.034447 0.417998 Au\n0.632755 0.864791 0.014712 Au\n0.846118 0.965553 0.582001 Au\n0.367245 0.135209 0.985288 Au\n0.346118 0.534446 0.582002 Au\n0.867245 0.364791 0.985288 Au\n0.653883 0.465553 0.417998 Au\n0.132755 0.635209 0.014712 Au\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.012618634177649,
"density_atomic": 0.03845953706164957,
"volume": 468.02435430115816,
"volume_molar": 15.65838078172048,
"formula_full": "Ca10 Au8",
"formula_reduced": "Ca5Au4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.2801866666666666,
"spacegroup": 14
}
]
}