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=47",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=45",
"results": [
{
"id": "jvasp-34349",
"created_at": "2022-09-04T14:37:12.694721Z",
"updated_at": "2022-09-04T14:37:12.694757Z",
"structure_string": "Ti2 S2\n1.0\n1.639928 -2.840439 0.000000\n1.639928 2.840439 0.000000\n0.000000 -0.000000 6.438459\nTi S\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666668 0.250000 S\n0.666668 0.333333 0.750000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.425655397372615,
"density_atomic": 0.06668648292909461,
"volume": 59.98217066347702,
"volume_molar": 9.03052687064503,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.1408991666666668,
"spacegroup": 194
},
{
"id": "jvasp-14772",
"created_at": "2022-09-04T14:38:11.273542Z",
"updated_at": "2022-09-04T14:38:11.273569Z",
"structure_string": "Ti2 S2\n1.0\n1.667649 -2.888453 0.000000\n1.667649 2.888453 -0.000000\n0.000000 -0.000000 6.391636\nTi S\n2 2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.311096957801611,
"density_atomic": 0.06496029805049545,
"volume": 61.57607215549855,
"volume_molar": 9.270494349208223,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2491241666666668,
"spacegroup": 194
},
{
"id": "jvasp-36221",
"created_at": "2022-09-04T14:37:02.394577Z",
"updated_at": "2022-09-04T14:37:02.394606Z",
"structure_string": "Ti1 S2\n1.0\n2.164291 -3.748662 -0.000000\n2.164291 3.748662 0.000000\n-0.000000 0.000000 2.954763\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.499999 S\n0.333333 0.666667 0.499999 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.87892070908852,
"density_atomic": 0.06257151490240612,
"volume": 47.945139328641034,
"volume_molar": 9.624412593162939,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.223992777777778,
"spacegroup": 191
},
{
"id": "jvasp-93778",
"created_at": "2022-09-04T14:36:14.574926Z",
"updated_at": "2022-09-04T14:36:14.574952Z",
"structure_string": "Ti2 S4\n1.0\n-1.675895 -2.902758 -0.000000\n-1.675895 2.902758 0.000000\n0.000000 0.000000 -12.012392\nTi S\n2 4\ndirect\n0.666643 0.333354 0.750000 Ti\n0.333354 0.666643 0.250000 Ti\n0.666685 0.333313 0.125154 S\n0.333313 0.666685 0.874845 S\n0.333313 0.666685 0.625154 S\n0.666685 0.333313 0.374845 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.1824995807316174,
"density_atomic": 0.05133742988766652,
"volume": 116.87379000329466,
"volume_molar": 11.730506909242022,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8344361111111116,
"spacegroup": 194
},
{
"id": "jvasp-8242",
"created_at": "2022-09-04T14:36:40.444105Z",
"updated_at": "2022-09-04T14:36:40.444131Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.956575441243148,
"density_atomic": 0.047693010029407075,
"volume": 62.90229948057854,
"volume_molar": 12.626883386657294,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7912727777777775,
"spacegroup": 166
},
{
"id": "jvasp-78712",
"created_at": "2022-09-04T14:37:16.653026Z",
"updated_at": "2022-09-04T14:37:16.653056Z",
"structure_string": "Ti1 S2\n1.0\n-1.706470 -2.955691 0.000056\n-1.706468 2.955691 -0.000000\n0.000130 0.000075 -5.724847\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333356 0.666678 0.248075 S\n0.666646 0.333322 0.751925 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.2203581552265126,
"density_atomic": 0.051948132847549365,
"volume": 57.749910065180025,
"volume_molar": 11.59260290966183,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7828027777777775,
"spacegroup": 164
},
{
"id": "jvasp-10740",
"created_at": "2022-09-04T14:38:11.351524Z",
"updated_at": "2022-09-04T14:38:11.351556Z",
"structure_string": "Ti4 S8\n1.0\n6.906545 0.002412 -0.001146\n-0.002157 6.906543 -0.000249\n-3.451527 -3.454449 4.884872\nTi S\n4 8\ndirect\n-0.000000 0.500053 0.499928 Ti\n0.000074 0.499972 0.999901 Ti\n0.000062 0.000115 0.500062 Ti\n0.500163 0.500069 0.000087 Ti\n0.246670 0.748839 0.497783 S\n0.751092 0.253330 0.002288 S\n0.751053 0.748893 0.002243 S\n0.751044 0.748815 0.497690 S\n0.248883 0.251064 0.502233 S\n0.248806 0.251055 -0.002297 S\n0.248816 0.746670 -0.002228 S\n0.753330 0.251115 0.502299 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193027679668163,
"density_atomic": 0.05150726040210797,
"volume": 232.97686396671355,
"volume_molar": 11.691828905257674,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7878761111111112,
"spacegroup": 227
},
{
"id": "jvasp-99921",
"created_at": "2022-09-04T14:36:46.414556Z",
"updated_at": "2022-09-04T14:36:46.414581Z",
"structure_string": "Th1 U1 S2\n1.0\n3.978687 -0.000000 -0.000000\n-0.000000 3.978687 0.000000\n-0.000000 0.000000 5.639964\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 9.935612292450099,
"density_atomic": 0.04480269199774609,
"volume": 89.28034949777637,
"volume_molar": 13.441470794440116,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8613504,
"spacegroup": 123
},
{
"id": "jvasp-110151",
"created_at": "2022-09-04T14:37:52.813024Z",
"updated_at": "2022-09-04T14:37:52.813053Z",
"structure_string": "Th1 U1 S2\n1.0\n3.741594 -0.012925 5.983852\n1.707064 3.329508 5.983852\n-0.021233 -0.012925 7.057305\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.499999 0.500002 0.500000 U\n0.245735 0.245737 0.245736 S\n0.754262 0.754267 0.754264 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 10.005662344270524,
"density_atomic": 0.04511856894662034,
"volume": 88.65529411476656,
"volume_molar": 13.347366506958096,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8430029,
"spacegroup": 166
},
{
"id": "jvasp-9078",
"created_at": "2022-09-04T14:38:09.805238Z",
"updated_at": "2022-09-04T14:38:09.805253Z",
"structure_string": "Th4 S8\n1.0\n4.289823 -0.000000 0.000000\n0.000000 7.296773 0.000000\n0.000000 0.000000 8.672143\nTh S\n4 8\ndirect\n0.749999 0.751321 0.119400 Th\n0.250000 0.248678 0.880599 Th\n0.749999 0.251322 0.380600 Th\n0.250000 0.748678 0.619400 Th\n0.749999 0.140148 0.070124 S\n0.250000 0.859852 0.929876 S\n0.749999 0.640148 0.429876 S\n0.250000 0.359852 0.570124 S\n0.749999 0.028948 0.665797 S\n0.250000 0.971051 0.334203 S\n0.749999 0.528948 0.834203 S\n0.250000 0.471051 0.165797 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 7.2468733209986524,
"density_atomic": 0.04420634475982068,
"volume": 271.454246334948,
"volume_molar": 13.622797344406424,
"formula_full": "Th4 S8",
"formula_reduced": "ThS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3918285333333331,
"spacegroup": 62
},
{
"id": "jvasp-23379",
"created_at": "2022-09-04T14:37:32.830692Z",
"updated_at": "2022-09-04T14:37:32.830717Z",
"structure_string": "Th8 S12\n1.0\n3.937936 -0.000000 0.000000\n-0.000000 10.944467 0.000000\n0.000000 0.000000 10.902713\nTh S\n8 12\ndirect\n0.250000 0.315307 0.981979 Th\n0.250000 0.985685 0.803721 Th\n0.750001 0.485685 0.696279 Th\n0.250000 0.514315 0.303721 Th\n0.750001 0.815307 0.518020 Th\n0.250000 0.184693 0.481979 Th\n0.750001 0.014315 0.196279 Th\n0.750001 0.684693 0.018021 Th\n0.250000 0.555553 0.875844 S\n0.250000 0.295846 0.720039 S\n0.750001 0.377156 0.447286 S\n0.250000 0.204154 0.220039 S\n0.250000 0.622844 0.552713 S\n0.250000 0.877156 0.052714 S\n0.750001 0.795846 0.779961 S\n0.750001 0.122844 0.947286 S\n0.250000 0.944448 0.375844 S\n0.750001 0.055553 0.624155 S\n0.750001 0.704154 0.279961 S\n0.750001 0.444448 0.124155 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 7.919713586356099,
"density_atomic": 0.04256299165697024,
"volume": 469.8917820717789,
"volume_molar": 14.148772268017483,
"formula_full": "Th8 S12",
"formula_reduced": "Th2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.22480224,
"spacegroup": 62
},
{
"id": "jvasp-37361",
"created_at": "2022-09-04T14:37:53.299535Z",
"updated_at": "2022-09-04T14:37:53.299553Z",
"structure_string": "Th3 S1\n1.0\n-2.343033 2.343033 5.082573\n2.343033 -2.343033 5.082573\n2.343033 2.343033 -5.082573\nTh S\n3 1\ndirect\n0.749999 0.250000 0.499999 Th\n0.250000 0.749999 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 10.833952516890626,
"density_atomic": 0.03583930376389965,
"volume": 111.609311005342,
"volume_molar": 16.803174525019664,
"formula_full": "Th3 S1",
"formula_reduced": "Th3S",
"formula_anonymous": "AB3",
"energy_above_hull": 2.9444692000000003,
"spacegroup": 139
}
]
}