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&page=856",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=854",
"results": [
{
"id": "jvasp-8029",
"created_at": "2022-09-04T14:37:04.760702Z",
"updated_at": "2022-09-04T14:37:04.760738Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.024550 -0.000000 0.000000\n0.000000 4.024550 -0.000000\n0.000000 -0.000000 4.024550\nBa Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.940337706271852,
"density_atomic": 0.0767040017664982,
"volume": 65.18564722634636,
"volume_molar": 7.851142862575228,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6338729606666669,
"spacegroup": 221
},
{
"id": "jvasp-91986",
"created_at": "2022-09-04T14:36:03.161560Z",
"updated_at": "2022-09-04T14:36:03.161593Z",
"structure_string": "Li2 Fe1 Co1 O4\n1.0\n-4.937073 0.038943 0.023783\n0.000000 -1.470954 2.408659\n-1.615379 4.005447 2.446103\nLi Fe Co O\n2 1 1 4\ndirect\n-0.000000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.500000 Fe\n0.500000 0.500000 -0.000000 Co\n0.720523 -0.000001 0.758265 O\n0.722463 0.499999 0.256760 O\n0.277536 0.499999 0.743240 O\n0.279477 -0.000000 0.241735 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.907606230618485,
"density_atomic": 0.12272244899574758,
"volume": 65.1877473556383,
"volume_molar": 4.907122380037145,
"formula_full": "Li2 Fe1 Co1 O4",
"formula_reduced": "Li2FeCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.36950755,
"spacegroup": 10
},
{
"id": "jvasp-75778",
"created_at": "2022-09-04T14:35:59.949640Z",
"updated_at": "2022-09-04T14:35:59.949667Z",
"structure_string": "Ti1 As1 P2\n1.0\n-0.000000 3.194589 3.194589\n3.194589 -0.000000 3.194589\n3.194589 3.194589 0.000000\nTi As P\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"P"
],
"chemical_system": "As-P-Ti",
"density": 4.70463519740801,
"density_atomic": 0.06134582620783436,
"volume": 65.20410999842672,
"volume_molar": 9.816708213526226,
"formula_full": "Ti1 As1 P2",
"formula_reduced": "TiAsP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.079030270833333,
"spacegroup": 216
},
{
"id": "jvasp-3693",
"created_at": "2022-09-04T14:36:10.967238Z",
"updated_at": "2022-09-04T14:36:10.967257Z",
"structure_string": "Mg2 Fe1 H6\n1.0\n3.912606 -0.000000 2.258944\n1.304202 3.688840 2.258944\n0.000000 0.000000 4.517888\nMg Fe H\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750000 0.749999 Mg\n0.000000 0.000000 0.000000 Fe\n0.244197 0.755803 0.755803 H\n0.244197 0.755803 0.244196 H\n0.755804 0.244197 0.755802 H\n0.755804 0.244197 0.244196 H\n0.755804 0.755803 0.244195 H\n0.244197 0.244197 0.755803 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg",
"density": 2.814040579030345,
"density_atomic": 0.13802288913112035,
"volume": 65.2065759285048,
"volume_molar": 4.363146430212041,
"formula_full": "Mg2 Fe1 H6",
"formula_reduced": "Mg2FeH6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.2202504000000003,
"spacegroup": 225
},
{
"id": "jvasp-114698",
"created_at": "2022-09-04T14:38:41.780645Z",
"updated_at": "2022-09-04T14:38:41.780681Z",
"structure_string": "Hf1 Sn1 C1\n1.0\n3.140579 1.486029 0.000000\n0.651926 6.736423 0.000000\n0.000000 0.000000 3.230053\nHf Sn C\n1 1 1\ndirect\n0.004011 -0.150009 0.000000 Hf\n-0.066625 0.420488 0.000000 Sn\n0.299589 0.054618 0.000000 C\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Sn",
"C"
],
"chemical_system": "C-Hf-Sn",
"density": 7.874295136927477,
"density_atomic": 0.04600757384859074,
"volume": 65.20665510145984,
"volume_molar": 13.089455183658776,
"formula_full": "Hf1 Sn1 C1",
"formula_reduced": "HfSnC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.7303915666666665,
"spacegroup": 25
},
{
"id": "jvasp-81535",
"created_at": "2022-09-04T14:37:13.497774Z",
"updated_at": "2022-09-04T14:37:13.497797Z",
"structure_string": "Ti2 Zn1 Os1\n1.0\n-8.847980 0.000001 -5.108382\n-5.653357 -1.046921 -0.424865\n-4.340255 2.667091 -2.699224\nTi Zn Os\n2 1 1\ndirect\n0.742495 0.000001 0.000000 Ti\n0.257504 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Os"
],
"chemical_system": "Os-Ti-Zn",
"density": 8.94796357562749,
"density_atomic": 0.061343240586389354,
"volume": 65.20685835576002,
"volume_molar": 9.817121988394225,
"formula_full": "Ti2 Zn1 Os1",
"formula_reduced": "Ti2ZnOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1030480166666665,
"spacegroup": 71
},
{
"id": "jvasp-41461",
"created_at": "2022-09-04T14:37:47.090863Z",
"updated_at": "2022-09-04T14:37:47.090881Z",
"structure_string": "Tm1 Zn1 Rh2\n1.0\n0.000002 3.194634 3.194633\n3.194636 -0.000001 3.194636\n3.194634 3.194635 0.000001\nTm Zn Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Tm\n0.750001 0.750000 0.750001 Zn\n0.999998 0.000001 -0.000000 Rh\n0.500001 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Zn",
"Rh"
],
"chemical_system": "Rh-Tm-Zn",
"density": 11.208835552796682,
"density_atomic": 0.061343214668296356,
"volume": 65.20688590627931,
"volume_molar": 9.817126136221853,
"formula_full": "Tm1 Zn1 Rh2",
"formula_reduced": "TmZnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2031601625,
"spacegroup": 225
},
{
"id": "jvasp-8153",
"created_at": "2022-09-04T14:37:00.930395Z",
"updated_at": "2022-09-04T14:37:00.930423Z",
"structure_string": "Mg2 Si1 O4\n1.0\n3.323575 0.000000 -1.058240\n-0.336948 3.306451 -1.058240\n0.048346 0.053522 5.900074\nMg Si O\n2 1 4\ndirect\n0.650356 0.650355 0.300711 Mg\n0.349646 0.349644 0.699289 Mg\n0.000000 0.000000 0.000000 Si\n0.832590 0.832588 0.665176 O\n0.167412 0.167411 0.334824 O\n-0.000000 0.500000 -0.000000 O\n0.500001 -0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.5824680733882377,
"density_atomic": 0.10733922921254757,
"volume": 65.2138090738379,
"volume_molar": 5.610381967691672,
"formula_full": "Mg2 Si1 O4",
"formula_reduced": "Mg2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.423132957142857,
"spacegroup": 139
},
{
"id": "jvasp-78365",
"created_at": "2022-09-04T14:38:01.300234Z",
"updated_at": "2022-09-04T14:38:01.300255Z",
"structure_string": "Pb2\n1.0\n-1.745203 -3.022781 -0.000000\n1.745203 -3.022781 -0.000000\n0.000000 -2.015187 6.181638\nPb\n2\ndirect\n0.090824 0.090824 0.727531 Pb\n0.909177 0.909177 0.272469 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.550733295730371,
"density_atomic": 0.030665058421845744,
"volume": 65.22081166410571,
"volume_molar": 19.638445416134726,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy_above_hull": 0.06598082,
"spacegroup": 166
},
{
"id": "jvasp-14736",
"created_at": "2022-09-04T14:36:55.107285Z",
"updated_at": "2022-09-04T14:36:55.107306Z",
"structure_string": "Sm1 Ga2\n1.0\n2.117486 -3.667593 -0.000000\n2.117486 3.667593 0.000000\n0.000000 -0.000000 4.199243\nSm Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666668 0.333334 0.500000 Ga\n0.333334 0.666668 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 7.3782571052878225,
"density_atomic": 0.04599584156318551,
"volume": 65.22328754174077,
"volume_molar": 13.092793946877245,
"formula_full": "Sm1 Ga2",
"formula_reduced": "SmGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0413609861111111,
"spacegroup": 191
},
{
"id": "jvasp-41976",
"created_at": "2022-09-04T14:37:32.945329Z",
"updated_at": "2022-09-04T14:37:32.945350Z",
"structure_string": "Sc1 Ta1 Os2\n1.0\n-0.000001 3.194932 3.194927\n3.194934 -0.000001 3.194927\n3.194937 3.194935 -0.000004\nSc Ta Os\n1 1 2\ndirect\n0.250004 0.250001 0.250000 Sc\n0.750002 0.750002 0.750000 Ta\n0.999999 0.000001 -0.000001 Os\n0.500000 0.500000 0.500001 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ta",
"Os"
],
"chemical_system": "Os-Sc-Ta",
"density": 15.437149022764315,
"density_atomic": 0.06132601293601632,
"volume": 65.22517620986297,
"volume_molar": 9.819879805789954,
"formula_full": "Sc1 Ta1 Os2",
"formula_reduced": "ScTaOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.1544861125,
"spacegroup": 225
},
{
"id": "jvasp-71825",
"created_at": "2022-09-04T14:36:03.492059Z",
"updated_at": "2022-09-04T14:36:03.492076Z",
"structure_string": "Ti1 Be1 Cl2\n1.0\n-1.725997 1.725997 5.473664\n1.725997 -1.725997 5.473664\n1.725997 1.725997 -5.473664\nTi Be Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750001 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Ti",
"density": 3.2532047231048358,
"density_atomic": 0.061325598050654934,
"volume": 65.22561747699551,
"volume_molar": 9.819946240109577,
"formula_full": "Ti1 Be1 Cl2",
"formula_reduced": "TiBeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4497031420833335,
"spacegroup": 119
}
]
}