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=-volume_molar&page=469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=467",
"results": [
{
"id": "jvasp-74887",
"created_at": "2022-09-04T14:35:45.175452Z",
"updated_at": "2022-09-04T14:35:45.175474Z",
"structure_string": "K2 Y1 Be1\n1.0\n-2.808596 2.808596 3.973803\n2.808596 -2.808596 3.973803\n2.808596 2.808596 -3.973803\nK Y Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.750001 0.500001 K\n0.500000 0.500000 0.000000 Y\n0.750001 0.250000 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Y",
"Be"
],
"chemical_system": "Be-K-Y",
"density": 2.3323819213982038,
"density_atomic": 0.03190179505719483,
"volume": 125.38479395371446,
"volume_molar": 18.877121958821636,
"formula_full": "K2 Y1 Be1",
"formula_reduced": "K2YBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9266918875,
"spacegroup": 216
},
{
"id": "jvasp-3591",
"created_at": "2022-09-04T14:35:48.197384Z",
"updated_at": "2022-09-04T14:35:48.197403Z",
"structure_string": "K2 Se1 Br6\n1.0\n6.375424 0.000000 3.680853\n2.125141 6.010807 3.680853\n0.000000 0.000000 7.361705\nK Se Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Se\n0.750518 0.249481 0.249481 Br\n0.750518 0.750519 0.249481 Br\n0.249481 0.249481 0.750519 Br\n0.750518 0.249481 0.750519 Br\n0.249481 0.750519 0.249481 Br\n0.249481 0.750519 0.750519 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Se",
"Br"
],
"chemical_system": "Br-K-Se",
"density": 3.7469873758078993,
"density_atomic": 0.03190231821354675,
"volume": 282.11116006542466,
"volume_molar": 18.87681239867642,
"formula_full": "K2 Se1 Br6",
"formula_reduced": "K2SeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101614",
"created_at": "2022-09-04T14:37:00.751485Z",
"updated_at": "2022-09-04T14:37:00.751516Z",
"structure_string": "Tb3 Sm1\n1.0\n4.565001 -0.008828 -4.087819\n-0.917356 4.471887 -4.087819\n0.007215 0.008828 6.127760\nTb Sm\n3 1\ndirect\n0.749999 0.250000 0.499999 Tb\n0.249999 0.750001 0.499999 Tb\n0.499999 0.500000 -0.000001 Tb\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Sm"
],
"chemical_system": "Sm-Tb",
"density": 8.306252436844897,
"density_atomic": 0.0319046697315897,
"volume": 125.37349653362777,
"volume_molar": 18.875421092471964,
"formula_full": "Tb3 Sm1",
"formula_reduced": "Tb3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 1.45365851875,
"spacegroup": 139
},
{
"id": "jvasp-55943",
"created_at": "2022-09-04T14:38:08.082366Z",
"updated_at": "2022-09-04T14:38:08.082379Z",
"structure_string": "Rb4 Cd4 Br12\n1.0\n4.243091 0.000000 0.000000\n0.000000 9.431519 0.000000\n0.000000 0.000000 15.661753\nRb Cd Br\n4 4 12\ndirect\n0.750000 0.572585 0.826779 Rb\n0.250000 0.427415 0.173220 Rb\n0.750000 0.072585 0.673220 Rb\n0.250000 0.927415 0.326779 Rb\n0.750000 0.834753 0.057617 Cd\n0.250000 0.165247 0.942382 Cd\n0.750000 0.334753 0.442382 Cd\n0.250000 0.665247 0.557617 Cd\n0.250000 0.028450 0.103381 Br\n0.750000 0.971550 0.896619 Br\n0.250000 0.666127 0.995351 Br\n0.750000 0.333873 0.004649 Br\n0.250000 0.166127 0.504649 Br\n0.250000 0.288372 0.788028 Br\n0.250000 0.788372 0.711972 Br\n0.750000 0.211628 0.288028 Br\n0.750000 0.471550 0.603381 Br\n0.750000 0.711628 0.211972 Br\n0.750000 0.833873 0.495351 Br\n0.250000 0.528450 0.396619 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Rb",
"density": 4.637382417301257,
"density_atomic": 0.03190991410764142,
"volume": 626.7644573574903,
"volume_molar": 18.87231892785912,
"formula_full": "Rb4 Cd4 Br12",
"formula_reduced": "RbCdBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-87920",
"created_at": "2022-09-04T14:36:08.157327Z",
"updated_at": "2022-09-04T14:36:08.157350Z",
"structure_string": "K6 In2 P4\n1.0\n6.301149 0.000000 -2.620690\n-1.355373 6.677761 -3.258838\n0.003793 0.069878 8.894662\nK In P\n6 2 4\ndirect\n0.817333 0.024917 0.634667 K\n0.750000 0.500000 -0.000000 K\n0.317334 0.609750 0.634667 K\n0.682666 0.390250 0.365333 K\n0.250000 0.500000 -0.000000 K\n0.182667 0.975083 0.365333 K\n0.250000 -0.000000 0.000000 In\n0.750000 -0.000000 0.000000 In\n0.400351 0.093229 0.800701 P\n0.599649 0.906771 0.199298 P\n0.099649 0.292527 0.199298 P\n0.900351 0.707473 0.800701 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"In",
"P"
],
"chemical_system": "In-K-P",
"density": 2.59722897550802,
"density_atomic": 0.031913601162185036,
"volume": 376.01522745790913,
"volume_molar": 18.870138563791215,
"formula_full": "K6 In2 P4",
"formula_reduced": "K3InP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4176924949999999,
"spacegroup": 72
},
{
"id": "jvasp-4267",
"created_at": "2022-09-04T14:36:58.462359Z",
"updated_at": "2022-09-04T14:36:58.462378Z",
"structure_string": "Sm2 Te6\n1.0\n4.316910 0.000000 -0.728614\n0.000000 4.379216 0.000000\n0.017507 0.000000 13.256490\nSm Te\n2 6\ndirect\n0.830314 0.250000 0.660629 Sm\n0.169687 0.750001 0.339372 Sm\n0.705653 0.250000 0.411306 Te\n0.294348 0.750001 0.588695 Te\n0.072487 0.250000 0.144976 Te\n0.927513 0.750001 0.855025 Te\n0.572579 0.750001 0.145157 Te\n0.427422 0.250000 0.854843 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Te"
],
"chemical_system": "Sm-Te",
"density": 7.06385782644286,
"density_atomic": 0.03191503200102582,
"volume": 250.66557977265578,
"volume_molar": 18.869292563474275,
"formula_full": "Sm2 Te6",
"formula_reduced": "SmTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8153430437500001,
"spacegroup": 63
},
{
"id": "jvasp-103560",
"created_at": "2022-09-04T14:36:43.201504Z",
"updated_at": "2022-09-04T14:36:43.201522Z",
"structure_string": "K2 Ce1 Ag1 Cl6\n1.0\n6.602237 -0.000000 3.811803\n2.200746 6.224649 3.811803\n-0.000000 -0.000000 7.623607\nK Ce Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Ce\n0.000000 0.000000 0.000000 Ag\n0.752038 0.247963 0.247962 Cl\n0.247963 0.247963 0.752037 Cl\n0.247964 0.752037 0.752037 Cl\n0.247964 0.752037 0.247962 Cl\n0.752038 0.247963 0.752037 Cl\n0.752038 0.752037 0.247962 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ce",
"Ag",
"Cl"
],
"chemical_system": "Ag-Ce-Cl-K",
"density": 2.8562080351085286,
"density_atomic": 0.03191784214997454,
"volume": 313.30438796621394,
"volume_molar": 18.867631250581905,
"formula_full": "K2 Ce1 Ag1 Cl6",
"formula_reduced": "K2CeAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-92184",
"created_at": "2022-09-04T14:35:41.525428Z",
"updated_at": "2022-09-04T14:35:41.525456Z",
"structure_string": "Ba3 Sn1 S4\n1.0\n6.304837 0.000000 -0.000000\n0.000000 6.304837 -0.000000\n0.000000 0.000000 6.304837\nBa Sn S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"S"
],
"chemical_system": "Ba-S-Sn",
"density": 4.365968815260486,
"density_atomic": 0.031920405333149444,
"volume": 250.6233838983233,
"volume_molar": 18.866116194790255,
"formula_full": "Ba3 Sn1 S4",
"formula_reduced": "Ba3SnS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.83168870125,
"spacegroup": 221
},
{
"id": "jvasp-68444",
"created_at": "2022-09-04T14:36:17.267241Z",
"updated_at": "2022-09-04T14:36:17.267256Z",
"structure_string": "Sr2 Be1 Cl1\n1.0\n-2.153293 2.153293 6.756529\n2.153293 -2.153293 6.756529\n2.153293 2.153293 -6.756529\nSr Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.749999 0.499999 Sr\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Sr",
"density": 2.9113840888626497,
"density_atomic": 0.031920530296120506,
"volume": 125.31120137706937,
"volume_molar": 18.866042337435438,
"formula_full": "Sr2 Be1 Cl1",
"formula_reduced": "Sr2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0944356968749999,
"spacegroup": 119
},
{
"id": "jvasp-37118",
"created_at": "2022-09-04T14:38:08.100360Z",
"updated_at": "2022-09-04T14:38:08.100390Z",
"structure_string": "Pr1 Tl1 Se2\n1.0\n-2.169922 -3.758414 0.000000\n-4.339843 0.000000 0.000000\n-2.169922 -1.252805 -7.682191\nPr Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.500000 0.500000 Tl\n0.738127 0.738129 0.785612 Se\n0.261870 0.261871 0.214388 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Se"
],
"chemical_system": "Pr-Se-Tl",
"density": 6.668611912967413,
"density_atomic": 0.03192245290177476,
"volume": 125.303654211911,
"volume_molar": 18.864906085162374,
"formula_full": "Pr1 Tl1 Se2",
"formula_reduced": "PrTlSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6007922958333336,
"spacegroup": 166
},
{
"id": "jvasp-41292",
"created_at": "2022-09-04T14:37:38.274442Z",
"updated_at": "2022-09-04T14:37:38.274467Z",
"structure_string": "Na1 Ac1 Tl2\n1.0\n0.000003 3.971643 3.971641\n3.971643 0.000003 3.971641\n3.971643 3.971643 0.000003\nNa Ac Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Tl"
],
"chemical_system": "Ac-Na-Tl",
"density": 8.730397698414103,
"density_atomic": 0.03192420524526381,
"volume": 125.29677620066765,
"volume_molar": 18.86387057636596,
"formula_full": "Na1 Ac1 Tl2",
"formula_reduced": "NaAcTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-81768",
"created_at": "2022-09-04T14:37:08.025428Z",
"updated_at": "2022-09-04T14:37:08.025457Z",
"structure_string": "K1 Na2 P1\n1.0\n-13.132282 2.117919 -3.821353\n-8.603049 -0.221443 0.525086\n-7.026565 4.427199 -2.314908\nK Na P\n1 2 1\ndirect\n0.500000 0.000000 0.000000 K\n0.963372 0.857747 0.857719 Na\n0.036626 0.142255 0.142283 Na\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"P"
],
"chemical_system": "K-Na-P",
"density": 1.538041742428297,
"density_atomic": 0.031924777689114274,
"volume": 125.29452950157652,
"volume_molar": 18.863532327911663,
"formula_full": "K1 Na2 P1",
"formula_reduced": "KNa2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1049028750000001,
"spacegroup": 71
}
]
}