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=3848",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3846",
"results": [
{
"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-102226",
"created_at": "2022-09-04T14:36:58.281838Z",
"updated_at": "2022-09-04T14:36:58.281858Z",
"structure_string": "Ca1 B2 C6\n1.0\n5.027229 0.020972 3.814228\n3.059792 4.002019 1.292462\n-0.010478 0.021202 5.106690\nCa B C\n1 2 6\ndirect\n-0.002294 -0.002294 0.002294 Ca\n0.092337 0.575818 0.424182 B\n0.575819 0.092337 0.907662 B\n0.082483 0.082482 0.417517 C\n0.582482 0.582482 0.917518 C\n0.921643 0.921643 0.578357 C\n0.421643 0.421643 0.078357 C\n0.914483 0.411456 0.588544 C\n0.411456 0.914483 0.085517 C\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.163158891735459,
"density_atomic": 0.08764798505953386,
"volume": 102.68347862060783,
"volume_molar": 6.8708262442194545,
"formula_full": "Ca1 B2 C6",
"formula_reduced": "Ca(BC3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 5.854509509629629,
"spacegroup": 42
},
{
"id": "jvasp-10666",
"created_at": "2022-09-04T14:37:18.569778Z",
"updated_at": "2022-09-04T14:37:18.569800Z",
"structure_string": "Ca2 B4 C4\n1.0\n4.615687 0.005564 -2.574621\n-3.025241 4.331594 -0.135946\n0.003886 -0.005564 5.285189\nCa B C\n2 4 4\ndirect\n0.000001 0.750000 0.750000 Ca\n0.000000 0.250000 0.250000 Ca\n0.221870 0.360935 0.860936 B\n0.500001 0.860934 0.639065 B\n0.500001 0.139065 0.360935 B\n0.778131 0.639064 0.139065 B\n0.500001 0.659412 0.840588 C\n0.818825 0.159412 0.659413 C\n0.500000 0.340587 0.159412 C\n0.181177 0.840587 0.340587 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.691984774014536,
"density_atomic": 0.09455930046928002,
"volume": 105.75374342208414,
"volume_molar": 6.368639287847148,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.294463117333335,
"spacegroup": 140
},
{
"id": "jvasp-62718",
"created_at": "2022-09-04T14:35:41.141266Z",
"updated_at": "2022-09-04T14:35:41.141299Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788112 -0.000000 0.000000\n-0.000000 3.788112 0.000000\n0.000000 0.000000 7.510786\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.250000 Ca\n0.000000 0.000000 0.750000 Ca\n0.500000 0.218886 0.500000 B\n0.500000 0.781113 0.500000 B\n0.781113 0.500000 0.000000 B\n0.218886 0.500000 0.000000 B\n0.184732 0.500000 0.500000 C\n0.815268 0.500000 0.500000 C\n0.500000 0.184732 0.000000 C\n0.500000 0.815268 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.641419249492718,
"density_atomic": 0.09278312377140262,
"volume": 107.77822079624974,
"volume_molar": 6.490556164973753,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-63225",
"created_at": "2022-09-04T14:36:18.070346Z",
"updated_at": "2022-09-04T14:36:18.070370Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788066 -0.000000 0.000000\n0.000000 3.788066 0.000000\n0.000000 0.000000 7.510322\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500001 0.218892 0.000000 B\n0.500001 0.781109 0.000000 B\n0.218892 0.500001 0.500000 B\n0.781109 0.500001 0.500000 B\n0.184731 0.500001 0.000000 C\n0.815270 0.500001 0.000000 C\n0.500001 0.815270 0.500000 C\n0.500001 0.184731 0.500000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.6416465966753586,
"density_atomic": 0.09279110962286868,
"volume": 107.76894511384813,
"volume_molar": 6.489997570323077,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-88978",
"created_at": "2022-09-04T14:36:02.505998Z",
"updated_at": "2022-09-04T14:36:02.506020Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788121 0.000000 0.000000\n-0.000000 3.788121 0.000000\n0.000000 0.000000 7.511258\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.781114 0.500000 B\n0.218885 0.500000 0.000000 B\n0.500000 0.218885 0.500000 B\n0.781114 0.500000 0.000000 B\n0.500000 0.815269 0.000000 C\n0.815269 0.500000 0.500000 C\n0.184731 0.500000 0.500000 C\n0.500000 0.184731 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.6412407149098307,
"density_atomic": 0.09277685252298015,
"volume": 107.78550606168788,
"volume_molar": 6.490994893913178,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-114476",
"created_at": "2022-09-04T14:38:42.080417Z",
"updated_at": "2022-09-04T14:38:42.080443Z",
"structure_string": "Ca1 B1 C1\n1.0\n4.123936 -0.000000 0.000000\n-2.061968 3.571433 -0.000000\n-0.000000 0.000000 4.261871\nCa B C\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.000000 B\n0.333333 0.666665 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 1.6639602503726227,
"density_atomic": 0.047793246312391076,
"volume": 62.77037513608293,
"volume_molar": 12.600401154249854,
"formula_full": "Ca1 B1 C1",
"formula_reduced": "CaBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.652041001111111,
"spacegroup": 187
},
{
"id": "jvasp-99516",
"created_at": "2022-09-04T14:36:38.868481Z",
"updated_at": "2022-09-04T14:36:38.868498Z",
"structure_string": "Ca2 B2 C2\n1.0\n2.954173 -0.000000 0.000000\n-1.477086 2.558389 0.000000\n-0.000000 -0.000000 8.207628\nCa B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666667 0.750000 B\n0.666666 0.333334 0.250000 B\n0.333332 0.666667 0.250000 C\n0.666666 0.333334 0.750000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 3.367499184063678,
"density_atomic": 0.09672329487720036,
"volume": 62.03262624187466,
"volume_molar": 6.226153449017317,
"formula_full": "Ca2 B2 C2",
"formula_reduced": "CaBC",
"formula_anonymous": "ABC",
"energy_above_hull": 2.9100510011111105,
"spacegroup": 194
},
{
"id": "jvasp-114475",
"created_at": "2022-09-04T14:38:41.715434Z",
"updated_at": "2022-09-04T14:38:41.715465Z",
"structure_string": "Ca1 B1 C1\n1.0\n2.746299 -0.875493 0.000000\n0.082996 5.002999 0.000000\n0.000000 0.000000 3.908748\nCa B C\n1 1 1\ndirect\n0.059309 0.421411 0.000000 Ca\n-0.204931 -0.107047 0.000000 B\n0.327409 -0.042337 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 1.9345994276669451,
"density_atomic": 0.05556670415750116,
"volume": 53.9891657330736,
"volume_molar": 10.83767851865126,
"formula_full": "Ca1 B1 C1",
"formula_reduced": "CaBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0442710011111105,
"spacegroup": 38
},
{
"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-58268",
"created_at": "2022-09-04T14:37:14.473210Z",
"updated_at": "2022-09-04T14:37:14.473236Z",
"structure_string": "Ca2 B8 O14\n1.0\n4.212321 0.000000 0.000000\n0.000000 4.387393 0.000000\n0.000000 0.000000 10.636266\nCa B O\n2 8 14\ndirect\n0.598966 0.804045 0.500000 Ca\n0.098966 0.195955 0.000000 Ca\n0.613669 0.178213 0.749330 B\n0.113669 0.821786 0.750670 B\n0.591507 0.673057 0.879618 B\n0.091507 0.326942 0.620382 B\n0.091507 0.326942 0.379618 B\n0.591507 0.673057 0.120382 B\n0.113669 0.821786 0.249330 B\n0.613669 0.178213 0.250670 B\n0.754567 0.862632 0.225212 O\n0.254567 0.137368 0.274789 O\n0.254567 0.137368 0.725212 O\n0.754567 0.862632 0.774789 O\n0.200964 0.215915 0.500000 O\n0.700964 0.784085 0.000000 O\n0.668542 0.352028 0.862354 O\n0.750649 0.277576 0.633685 O\n0.750649 0.277576 0.366316 O\n0.168543 0.647971 0.637646 O\n0.250649 0.722424 0.133684 O\n0.168543 0.647971 0.362354 O\n0.250649 0.722424 0.866316 O\n0.668542 0.352028 0.137646 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"B",
"O"
],
"chemical_system": "B-Ca-O",
"density": 3.299922419639713,
"density_atomic": 0.12209392476272628,
"volume": 196.56997714375134,
"volume_molar": 4.932383631456889,
"formula_full": "Ca2 B8 O14",
"formula_reduced": "CaB4O7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.259902937777778,
"spacegroup": 31
},
{
"id": "jvasp-97636",
"created_at": "2022-09-04T14:36:00.818567Z",
"updated_at": "2022-09-04T14:36:00.818591Z",
"structure_string": "Ca4 B12 H20 O32\n1.0\n6.072599 -0.036451 0.000000\n-3.042613 8.236271 0.000000\n0.000000 0.000000 11.147915\nCa B H O\n4 12 20 32\ndirect\n0.262041 0.118711 0.705760 Ca\n0.739710 0.386214 0.289162 Ca\n0.260290 0.613786 0.789163 Ca\n0.737960 0.881289 0.205760 Ca\n0.318144 0.084088 0.289871 B\n0.508971 0.974272 0.449769 B\n0.166329 0.786483 0.331657 B\n0.491030 0.025728 0.949770 B\n0.495862 0.528024 0.551216 B\n0.681856 0.915912 0.789872 B\n0.837355 0.715231 0.669834 B\n0.833671 0.213517 0.831657 B\n0.680567 0.421978 0.718649 B\n0.319434 0.578022 0.218648 B\n0.162645 0.284769 0.169834 B\n0.504138 0.471976 0.051216 B\n0.698626 0.820648 0.473728 H\n0.704387 0.324593 0.022261 H\n0.657393 0.646344 0.924324 H\n0.342607 0.353656 0.424324 H\n0.978294 0.042378 0.474770 H\n0.319479 0.939638 0.110187 H\n0.765722 0.306368 0.535092 H\n0.027878 0.449188 0.527451 H\n0.234279 0.693632 0.035092 H\n0.966278 0.776039 0.000162 H\n0.301375 0.179352 0.973728 H\n0.861023 0.666859 0.421615 H\n0.140495 0.835884 0.578305 H\n0.138977 0.333141 0.921615 H\n0.295613 0.675407 0.522261 H\n0.972123 0.550812 0.027450 H\n0.680522 0.060362 0.610188 H\n0.021707 0.957622 0.974770 H\n0.859506 0.164116 0.078304 H\n0.033723 0.223961 0.500162 H\n0.096807 0.641623 0.983774 O\n0.321063 0.725678 0.258629 O\n0.481476 0.412196 0.652596 O\n0.705549 0.916096 0.422680 O\n0.721848 0.664769 0.553125 O\n0.516315 0.549597 0.933725 O\n0.722585 0.160165 0.948251 O\n0.681049 0.770450 0.746105 O\n0.481887 0.905312 0.853880 O\n0.071771 0.837240 0.659852 O\n0.464216 0.946030 0.068545 O\n0.862939 0.567082 0.730559 O\n0.318951 0.229550 0.246104 O\n0.518524 0.587804 0.152595 O\n0.928229 0.162760 0.159852 O\n0.070464 0.332969 0.839993 O\n0.903194 0.358377 0.483774 O\n0.146618 0.935116 0.266488 O\n0.535785 0.053970 0.568545 O\n0.104929 0.138002 0.510211 O\n0.895072 0.861998 0.010211 O\n0.277416 0.839835 0.448251 O\n0.289443 0.580388 0.573583 O\n0.483685 0.450403 0.433725 O\n0.710558 0.419612 0.073582 O\n0.278153 0.335231 0.053125 O\n0.137061 0.432918 0.230559 O\n0.929537 0.667031 0.339993 O\n0.294451 0.083904 0.922680 O\n0.518114 0.094688 0.353879 O\n0.678937 0.274322 0.758629 O\n0.853382 0.064884 0.766489 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.454048355969024,
"density_atomic": 0.1222289614252519,
"volume": 556.3329607572983,
"volume_molar": 4.926934410452952,
"formula_full": "Ca4 B12 H20 O32",
"formula_reduced": "CaB3H5O8",
"formula_anonymous": "AB3C5D8",
"energy_above_hull": 3.2058691864705886,
"spacegroup": 4
}
]
}