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=197",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=195",
"results": [
{
"id": "jvasp-86763",
"created_at": "2022-09-04T14:35:47.023986Z",
"updated_at": "2022-09-04T14:35:47.024013Z",
"structure_string": "Ba5 Al5 Pb1\n1.0\n6.118250 -0.000000 0.000000\n-3.059126 5.298560 -0.000000\n-0.000000 -0.000000 11.157884\nBa Al Pb\n5 5 1\ndirect\n0.666667 0.333333 0.201771 Ba\n0.666667 0.333333 0.798229 Ba\n0.000000 0.000000 0.327829 Ba\n0.000000 0.000000 0.672170 Ba\n0.333333 0.666667 0.000000 Ba\n0.333333 0.666667 0.323690 Al\n0.513757 0.027515 0.500000 Al\n0.513757 0.486243 0.500000 Al\n0.333333 0.666667 0.676310 Al\n0.972485 0.486243 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Pb"
],
"chemical_system": "Al-Ba-Pb",
"density": 4.722684609228997,
"density_atomic": 0.030410654533669892,
"volume": 361.71533196765245,
"volume_molar": 19.80273312872119,
"formula_full": "Ba5 Al5 Pb1",
"formula_reduced": "Ba5Al5Pb",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.7830631518181818,
"spacegroup": 187
},
{
"id": "jvasp-86161",
"created_at": "2022-09-04T14:36:07.191558Z",
"updated_at": "2022-09-04T14:36:07.191591Z",
"structure_string": "Ba5 Al5 Pb1\n1.0\n6.118209 -0.000000 0.000000\n-3.059105 5.298525 0.000000\n-0.000000 0.000000 11.157495\nBa Al Pb\n5 5 1\ndirect\n0.666667 0.333333 0.201770 Ba\n0.666667 0.333333 0.798230 Ba\n0.000000 0.000000 0.327831 Ba\n0.000000 0.000000 0.672169 Ba\n0.333333 0.666666 0.000000 Ba\n0.333333 0.666666 0.323694 Al\n0.513760 0.027518 0.500000 Al\n0.513760 0.486240 0.500000 Al\n0.333333 0.666666 0.676305 Al\n0.972482 0.486240 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Pb"
],
"chemical_system": "Al-Ba-Pb",
"density": 4.722912109845349,
"density_atomic": 0.030412119472200093,
"volume": 361.69790829788,
"volume_molar": 19.801779239703688,
"formula_full": "Ba5 Al5 Pb1",
"formula_reduced": "Ba5Al5Pb",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.7830640609090909,
"spacegroup": 187
},
{
"id": "jvasp-27525",
"created_at": "2022-09-04T14:37:05.673210Z",
"updated_at": "2022-09-04T14:37:05.673230Z",
"structure_string": "Ba2 Al8 S14\n1.0\n5.915731 0.000000 0.000000\n0.000000 6.246489 0.000000\n0.000000 0.000000 14.850372\nBa Al S\n2 8 14\ndirect\n0.487714 0.335627 0.500000 Ba\n0.987714 0.664373 0.000000 Ba\n0.088188 0.828337 0.380733 Al\n0.071873 0.313718 0.748279 Al\n0.571873 0.686282 0.751721 Al\n0.588188 0.171664 0.119267 Al\n0.588188 0.171664 0.880732 Al\n0.088188 0.828337 0.619267 Al\n0.071873 0.313718 0.251721 Al\n0.571873 0.686282 0.248279 Al\n0.463989 0.330810 0.251532 S\n0.963989 0.669190 0.248468 S\n0.980220 0.172518 0.615625 S\n0.480220 0.827482 0.884375 S\n0.480220 0.827482 0.115625 S\n0.980220 0.172518 0.384375 S\n0.472658 0.361698 0.000000 S\n0.468943 0.809358 0.617466 S\n0.468943 0.809358 0.382534 S\n0.968943 0.190642 0.117466 S\n0.463989 0.330810 0.748468 S\n0.972657 0.638303 0.500000 S\n0.968943 0.190642 0.882534 S\n0.963989 0.669190 0.751532 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Al",
"S"
],
"chemical_system": "Al-Ba-S",
"density": 2.842663564973911,
"density_atomic": 0.04373503836495174,
"volume": 548.7590933322023,
"volume_molar": 13.769602097402082,
"formula_full": "Ba2 Al8 S14",
"formula_reduced": "BaAl4S7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 1.886283930833334,
"spacegroup": 31
},
{
"id": "jvasp-86041",
"created_at": "2022-09-04T14:35:46.851445Z",
"updated_at": "2022-09-04T14:35:46.851469Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.3660826340932863,
"density_atomic": 0.04095800371652666,
"volume": 244.15252435667352,
"volume_molar": 14.703208685852166,
"formula_full": "Ba2 Al4 Si4",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.936663754,
"spacegroup": 63
},
{
"id": "jvasp-98359",
"created_at": "2022-09-04T14:38:17.753652Z",
"updated_at": "2022-09-04T14:38:17.753680Z",
"structure_string": "Ba1 Al2 Si2\n1.0\n3.992864 -0.000000 -1.270942\n-0.404545 3.972318 -1.270942\n0.101912 0.112818 7.227749\nBa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749999 0.250000 0.500000 Al\n0.249999 0.750001 0.500000 Al\n0.361184 0.361186 0.722371 Si\n0.638813 0.638815 0.277630 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.5490172512291713,
"density_atomic": 0.04318392552030057,
"volume": 115.78382325732575,
"volume_molar": 13.945329627731546,
"formula_full": "Ba1 Al2 Si2",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.929635754,
"spacegroup": 139
},
{
"id": "jvasp-16166",
"created_at": "2022-09-04T14:36:55.366724Z",
"updated_at": "2022-09-04T14:36:55.366749Z",
"structure_string": "Ba3 Al2 Si2\n1.0\n4.223592 0.000000 -0.878190\n-0.261835 4.954365 -1.259275\n-0.007769 0.039503 10.558266\nBa Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Ba\n0.814141 0.814187 0.628281 Ba\n0.185859 0.185812 0.371719 Ba\n0.065583 0.565547 0.131165 Al\n0.934417 0.434451 0.868835 Al\n0.634360 0.634293 0.268719 Si\n0.365640 0.365706 0.731281 Si\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.9209248074174194,
"density_atomic": 0.031657106828062435,
"volume": 221.1193852305812,
"volume_molar": 19.023029466046072,
"formula_full": "Ba3 Al2 Si2",
"formula_reduced": "Ba3(AlSi)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.3868758157142855,
"spacegroup": 71
},
{
"id": "jvasp-17183",
"created_at": "2022-09-04T14:37:41.872641Z",
"updated_at": "2022-09-04T14:37:41.872656Z",
"structure_string": "Ba1 Al1 Si1\n1.0\n2.166060 -3.751725 -0.000000\n2.166060 3.751725 0.000000\n0.000000 0.000000 5.176877\nBa Al Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Al\n0.666667 0.333333 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.797006903550843,
"density_atomic": 0.03565512249885838,
"volume": 84.13938278002144,
"volume_molar": 16.889973552026976,
"formula_full": "Ba1 Al1 Si1",
"formula_reduced": "BaAlSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1963291233333329,
"spacegroup": 187
},
{
"id": "jvasp-86640",
"created_at": "2022-09-04T14:35:52.736735Z",
"updated_at": "2022-09-04T14:35:52.736749Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Si"
],
"chemical_system": "Al-Ba-Si",
"density": 3.3660826340932863,
"density_atomic": 0.04095800371652666,
"volume": 244.15252435667352,
"volume_molar": 14.703208685852166,
"formula_full": "Ba2 Al4 Si4",
"formula_reduced": "Ba(AlSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.936663754,
"spacegroup": 63
},
{
"id": "jvasp-56571",
"created_at": "2022-09-04T14:38:36.531985Z",
"updated_at": "2022-09-04T14:38:36.532026Z",
"structure_string": "Ba5 Al5 Sn1\n1.0\n3.052835 -5.287666 -0.000000\n3.052835 5.287666 -0.000000\n-0.000000 -0.000000 11.125480\nBa Al Sn\n5 5 1\ndirect\n0.666668 0.333334 0.799975 Ba\n0.666668 0.333334 0.200025 Ba\n0.000000 0.000000 0.673202 Ba\n0.000000 0.000000 0.326798 Ba\n0.333334 0.666668 0.000000 Ba\n0.972325 0.486162 0.500000 Al\n0.333334 0.666668 0.676464 Al\n0.513840 0.486162 0.500000 Al\n0.513839 0.027677 0.500000 Al\n0.333334 0.666668 0.323536 Al\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Sn"
],
"chemical_system": "Al-Ba-Sn",
"density": 4.346879322526169,
"density_atomic": 0.03062503440406063,
"volume": 359.1832699636572,
"volume_molar": 19.664111003256576,
"formula_full": "Ba5 Al5 Sn1",
"formula_reduced": "Ba5Al5Sn",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.7998923227272727,
"spacegroup": 187
},
{
"id": "jvasp-100428",
"created_at": "2022-09-04T14:36:49.147887Z",
"updated_at": "2022-09-04T14:36:49.147919Z",
"structure_string": "Ba1 Al1 Sn1\n1.0\n4.676589 -0.000000 -0.000000\n-2.338294 4.050045 0.000000\n-0.000000 0.000000 5.156310\nBa Al Sn\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Al\n0.333333 0.666666 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Sn"
],
"chemical_system": "Al-Ba-Sn",
"density": 4.8121140253999775,
"density_atomic": 0.030718017449486764,
"volume": 97.66255276510769,
"volume_molar": 19.604587991080194,
"formula_full": "Ba1 Al1 Sn1",
"formula_reduced": "BaAlSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3694201566666666,
"spacegroup": 187
},
{
"id": "jvasp-12921",
"created_at": "2022-09-04T14:37:08.396505Z",
"updated_at": "2022-09-04T14:37:08.396538Z",
"structure_string": "Ba2 Al4 Te8\n1.0\n8.585562 0.000000 0.000000\n0.000000 8.585562 -0.000000\n0.000000 0.000000 6.770951\nBa Al Te\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.668799 0.831201 0.251378 Te\n0.331201 0.168799 0.251378 Te\n0.831201 0.668799 0.748622 Te\n0.668799 0.168799 0.748622 Te\n0.331201 0.831201 0.748622 Te\n0.168799 0.331201 0.748622 Te\n0.168799 0.668799 0.251378 Te\n0.831201 0.331201 0.251378 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Te"
],
"chemical_system": "Al-Ba-Te",
"density": 4.669144339844096,
"density_atomic": 0.02805051939119946,
"volume": 499.09949276705174,
"volume_molar": 21.468909990627054,
"formula_full": "Ba2 Al4 Te8",
"formula_reduced": "Ba(AlTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9687860909523808,
"spacegroup": 125
},
{
"id": "jvasp-58253",
"created_at": "2022-09-04T14:37:44.899274Z",
"updated_at": "2022-09-04T14:37:44.899303Z",
"structure_string": "Ba2 Al2 B2 O6 F4\n1.0\n2.459984 -4.260816 0.000000\n2.459984 4.260817 -0.000000\n-0.000000 0.000000 9.419882\nBa Al B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666666 0.333332 0.250000 Al\n0.333332 0.666666 0.750000 Al\n0.333332 0.666666 0.250000 B\n0.666666 0.333332 0.750000 B\n0.327111 0.383050 0.250000 O\n0.616948 0.944059 0.250000 O\n0.944059 0.327110 0.750000 O\n0.383051 0.055939 0.750000 O\n0.055939 0.672889 0.250000 O\n0.672888 0.616948 0.750000 O\n0.666666 0.333332 0.052240 F\n0.333332 0.666666 0.552240 F\n0.666666 0.333332 0.447760 F\n0.333332 0.666666 0.947760 F\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Ba",
"Al",
"B",
"O",
"F"
],
"chemical_system": "Al-B-Ba-F-O",
"density": 4.391466618408819,
"density_atomic": 0.08102506929451453,
"volume": 197.46974781153583,
"volume_molar": 7.432441357267317,
"formula_full": "Ba2 Al2 B2 O6 F4",
"formula_reduced": "BaAlBO3F2",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 1.4456865522916669,
"spacegroup": 176
}
]
}