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_full&page=3852",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3850",
"results": [
{
"id": "jvasp-117766",
"created_at": "2022-09-04T14:38:48.456947Z",
"updated_at": "2022-09-04T14:38:48.456977Z",
"structure_string": "Ca1 Si1 Br1\n1.0\n3.485887 0.000000 -0.000000\n0.000000 3.485887 0.000000\n0.000000 -0.000000 8.066589\nCa Si Br\n1 1 1\ndirect\n0.000000 0.000000 -0.013350 Ca\n0.000000 0.000000 0.631932 Si\n0.000000 0.000000 0.339964 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.508374065813157,
"density_atomic": 0.03060586902922094,
"volume": 98.02041553323487,
"volume_molar": 19.676424656494365,
"formula_full": "Ca1 Si1 Br1",
"formula_reduced": "CaSiBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8259610416666665,
"spacegroup": 99
},
{
"id": "jvasp-117765",
"created_at": "2022-09-04T14:38:49.664332Z",
"updated_at": "2022-09-04T14:38:49.664356Z",
"structure_string": "Ca1 Si1 Br1\n1.0\n5.433335 1.523317 0.000000\n1.386719 5.722257 0.000000\n0.000000 0.000000 3.553591\nCa Si Br\n1 1 1\ndirect\n0.433267 -0.029216 0.000000 Ca\n-0.092258 0.451953 0.000000 Si\n-0.014633 -0.136802 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.387619403207183,
"density_atomic": 0.029132483763938302,
"volume": 102.97783135516771,
"volume_molar": 20.671566519345387,
"formula_full": "Ca1 Si1 Br1",
"formula_reduced": "CaSiBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7252577083333331,
"spacegroup": 6
},
{
"id": "jvasp-123650",
"created_at": "2022-09-04T14:38:52.448890Z",
"updated_at": "2022-09-04T14:38:52.448918Z",
"structure_string": "Ca1 Se2\n1.0\n2.385590 -3.907934 -1.001012\n2.191577 3.795921 -0.000001\n-1.159992 0.669721 5.514774\nCa Se\n1 2\ndirect\n0.000000 0.333354 0.166667 Ca\n0.804720 0.735684 0.428224 Se\n0.195280 -0.069037 0.905109 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Se"
],
"chemical_system": "Ca-Se",
"density": 3.601382648053306,
"density_atomic": 0.0328609883605291,
"volume": 91.29366308420117,
"volume_molar": 18.326109652969176,
"formula_full": "Ca1 Se2",
"formula_reduced": "CaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7836177888888889,
"spacegroup": 12
},
{
"id": "jvasp-36165",
"created_at": "2022-09-04T14:37:30.866835Z",
"updated_at": "2022-09-04T14:37:30.866862Z",
"structure_string": "Ca1 Se1\n1.0\n3.271570 3.271570 0.000000\n3.271570 0.000000 -3.271570\n-0.000000 3.271570 -3.271570\nCa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Se"
],
"chemical_system": "Ca-Se",
"density": 2.8225137873821327,
"density_atomic": 0.02855823406060235,
"volume": 70.03234148707779,
"volume_molar": 21.087230909378505,
"formula_full": "Ca1 Se1",
"formula_reduced": "CaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1614849999999998,
"spacegroup": 216
},
{
"id": "jvasp-1309",
"created_at": "2022-09-04T14:36:02.685939Z",
"updated_at": "2022-09-04T14:36:02.685959Z",
"structure_string": "Ca1 Se1\n1.0\n3.625027 -0.000000 2.092911\n1.208343 3.417709 2.092911\n0.000000 0.000000 4.185821\nCa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Se"
],
"chemical_system": "Ca-Se",
"density": 3.811603690791651,
"density_atomic": 0.038565859566214576,
"volume": 51.85933938711144,
"volume_molar": 15.615212075489861,
"formula_full": "Ca1 Se1",
"formula_reduced": "CaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-67923",
"created_at": "2022-09-04T14:36:07.314167Z",
"updated_at": "2022-09-04T14:36:07.314184Z",
"structure_string": "Ca1 Sc2 Be1\n1.0\n3.309991 0.000000 0.000000\n0.000000 3.309991 0.000000\n0.000000 0.000000 8.371870\nCa Sc Be\n1 2 1\ndirect\n0.500000 0.500000 0.303238 Ca\n0.000000 0.000000 0.960961 Sc\n0.500000 0.500000 0.697309 Sc\n0.000000 0.000000 0.538492 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Be"
],
"chemical_system": "Be-Ca-Sc",
"density": 2.5164833629647414,
"density_atomic": 0.043609779378893154,
"volume": 91.72254611166352,
"volume_molar": 13.809152088750709,
"formula_full": "Ca1 Sc2 Be1",
"formula_reduced": "CaSc2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6863092549999998,
"spacegroup": 99
},
{
"id": "jvasp-81802",
"created_at": "2022-09-04T14:37:18.279372Z",
"updated_at": "2022-09-04T14:37:18.279390Z",
"structure_string": "Ca1 Sc1 Rh2\n1.0\n-8.767147 -0.000001 -5.061714\n-5.780590 -0.543779 -0.111154\n-4.592905 2.815500 -2.168284\nCa Sc Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.000001 0.000000 Sc\n0.730468 0.000001 0.000001 Rh\n0.269531 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Rh"
],
"chemical_system": "Ca-Rh-Sc",
"density": 5.89394089330078,
"density_atomic": 0.048815214209892654,
"volume": 81.94166644032424,
"volume_molar": 12.336606235315017,
"formula_full": "Ca1 Sc1 Rh2",
"formula_reduced": "CaScRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1187854175000003,
"spacegroup": 71
},
{
"id": "jvasp-105730",
"created_at": "2022-09-04T14:36:19.106555Z",
"updated_at": "2022-09-04T14:36:19.106572Z",
"structure_string": "Ca1 Sc1 O3\n1.0\n4.069409 0.000000 -0.000000\n0.000000 4.069409 -0.000000\n0.000000 0.000000 4.069409\nCa Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"O"
],
"chemical_system": "Ca-O-Sc",
"density": 3.2780197032575824,
"density_atomic": 0.0741952291710311,
"volume": 67.3897776968146,
"volume_molar": 8.116614541506523,
"formula_full": "Ca1 Sc1 O3",
"formula_reduced": "CaScO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.418533234,
"spacegroup": 221
},
{
"id": "jvasp-81295",
"created_at": "2022-09-04T14:36:48.582434Z",
"updated_at": "2022-09-04T14:36:48.582454Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.372141 2.284043 -2.835880\n-7.561020 0.119952 0.806698\n-6.124522 4.182979 -1.681387\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 -0.000000 Sc\n0.698082 0.035110 0.035110 Hg\n0.301919 -0.035110 -0.035110 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 9.179460464935607,
"density_atomic": 0.04547792786299447,
"volume": 87.95475493189329,
"volume_molar": 13.24189786777914,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1276475,
"spacegroup": 12
},
{
"id": "jvasp-76954",
"created_at": "2022-09-04T14:38:13.081800Z",
"updated_at": "2022-09-04T14:38:13.081810Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.992578 2.822820 -2.314273\n-8.789672 0.578163 0.987239\n-7.312284 4.756848 -1.571672\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000001 0.000000 Sc\n0.749943 0.000029 0.000028 Hg\n0.250056 -0.000028 -0.000028 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 8.514747852532814,
"density_atomic": 0.0421847329794879,
"volume": 94.82103399694336,
"volume_molar": 14.275640343458457,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-67074",
"created_at": "2022-09-04T14:36:10.969942Z",
"updated_at": "2022-09-04T14:36:10.969960Z",
"structure_string": "Ca1 Sc1 Be1\n1.0\n-1.664360 1.664360 6.084100\n1.664360 -1.664360 6.084100\n1.664360 1.664360 -6.084100\nCa Sc Be\n1 1 1\ndirect\n0.358166 0.358166 0.000000 Ca\n0.624732 0.624732 0.000000 Sc\n0.017102 0.017102 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Be"
],
"chemical_system": "Be-Ca-Sc",
"density": 2.3165356378517874,
"density_atomic": 0.04450106250511854,
"volume": 67.41412072250945,
"volume_molar": 13.532577473419494,
"formula_full": "Ca1 Sc1 Be1",
"formula_reduced": "CaScBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.233807256666667,
"spacegroup": 107
},
{
"id": "jvasp-10734",
"created_at": "2022-09-04T14:38:14.427411Z",
"updated_at": "2022-09-04T14:38:14.427427Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n3.250893 -0.000038 -0.000081\n-1.625261 7.964010 -0.052142\n-1.625178 -2.421378 7.727750\nCa Sb O\n1 4 8\ndirect\n0.522871 0.106278 0.939587 Ca\n0.739423 0.136644 0.342323 Sb\n0.620934 0.499349 0.742650 Sb\n0.335704 0.496293 0.175252 Sb\n0.188309 0.830594 0.546186 Sb\n0.532796 0.644665 0.421066 O\n0.794447 0.351401 0.237618 O\n0.165003 0.642799 0.687348 O\n0.410694 0.301887 0.519632 O\n0.113369 0.070316 0.156525 O\n0.133642 0.325948 0.941463 O\n0.835312 0.940244 0.730537 O\n0.879359 0.629686 0.129171 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.44846027089127,
"density_atomic": 0.0651105993502925,
"volume": 199.6602723630373,
"volume_molar": 9.249094341154988,
"formula_full": "Ca1 Sb4 O8",
"formula_reduced": "Ca(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2652871400000003,
"spacegroup": 8
}
]
}