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=896",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=894",
"results": [
{
"id": "jvasp-114576",
"created_at": "2022-09-04T14:38:41.285882Z",
"updated_at": "2022-09-04T14:38:41.285911Z",
"structure_string": "Ba2 Ni1 O1\n1.0\n-0.000000 3.589196 3.589196\n3.589196 -0.000000 3.589196\n3.589196 3.589196 0.000000\nBa Ni O\n2 1 1\ndirect\n0.750002 0.750002 0.750002 Ba\n0.250001 0.250001 0.250001 Ba\n0.000000 0.000000 0.000000 Ni\n0.500001 0.500001 0.500001 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.273130843733212,
"density_atomic": 0.04325521454315784,
"volume": 92.47439972836119,
"volume_molar": 13.922346296517421,
"formula_full": "Ba2 Ni1 O1",
"formula_reduced": "Ba2NiO",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5084294600000001,
"spacegroup": 225
},
{
"id": "jvasp-91256",
"created_at": "2022-09-04T14:36:12.007244Z",
"updated_at": "2022-09-04T14:36:12.007265Z",
"structure_string": "Ba1 Pr2 Ni1 O5\n1.0\n3.686607 -0.000025 -1.076480\n-0.764082 5.348747 -2.616488\n0.022090 0.022501 6.926289\nBa Pr Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.201345 0.701346 0.402689 Pr\n0.798657 0.298656 0.597311 Pr\n0.500001 0.500001 0.000000 Ni\n1.000000 0.500001 0.000001 O\n0.356669 0.599727 0.713323 O\n0.643333 0.400274 0.286677 O\n0.643347 0.886408 0.286679 O\n0.356654 0.113593 0.713321 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Pr",
"density": 6.764287278673309,
"density_atomic": 0.06572210831776766,
"volume": 136.94022042757402,
"volume_molar": 9.1630364791142,
"formula_full": "Ba1 Pr2 Ni1 O5",
"formula_reduced": "BaPr2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8254550633333333,
"spacegroup": 71
},
{
"id": "jvasp-66052",
"created_at": "2022-09-04T14:35:41.233748Z",
"updated_at": "2022-09-04T14:35:41.233766Z",
"structure_string": "Ba4 Ni1 Os1\n1.0\n-0.000000 4.664707 4.664707\n4.664707 0.000000 4.664707\n4.664707 4.664707 0.000000\nBa Ni Os\n4 1 1\ndirect\n0.123805 0.625399 0.625399 Ba\n0.625399 0.625399 0.625399 Ba\n0.625399 0.123805 0.625399 Ba\n0.625399 0.625399 0.123805 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Os"
],
"chemical_system": "Ba-Ni-Os",
"density": 6.529422920615324,
"density_atomic": 0.029556169243483272,
"volume": 203.0033036613132,
"volume_molar": 20.375241156557525,
"formula_full": "Ba4 Ni1 Os1",
"formula_reduced": "Ba4NiOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3428285466666667,
"spacegroup": 216
},
{
"id": "jvasp-23319",
"created_at": "2022-09-04T14:37:31.686519Z",
"updated_at": "2022-09-04T14:37:31.686531Z",
"structure_string": "Ba6 Ni2 Sb4 O18\n1.0\n2.937946 -5.088672 0.000000\n2.937946 5.088672 -0.000000\n0.000000 0.000000 14.526091\nBa Ni Sb O\n6 2 4 18\ndirect\n0.333334 0.666668 0.587230 Ba\n0.666668 0.333334 0.087230 Ba\n0.666668 0.333334 0.412770 Ba\n0.333334 0.666668 0.912770 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.333334 0.666668 0.349586 Sb\n0.666668 0.333334 0.849586 Sb\n0.333334 0.666668 0.150414 Sb\n0.666668 0.333334 0.650414 Sb\n0.032552 0.516276 0.250000 O\n0.967450 0.483725 0.750000 O\n0.516276 0.483725 0.750000 O\n0.483725 0.967450 0.250000 O\n0.165919 0.331838 0.418904 O\n0.834081 0.165920 0.918904 O\n0.331838 0.165919 0.918904 O\n0.668163 0.834082 0.418904 O\n0.668163 0.834082 0.081096 O\n0.834082 0.668163 0.581096 O\n0.834081 0.165920 0.581096 O\n0.834082 0.668163 0.918904 O\n0.331838 0.165919 0.581096 O\n0.483725 0.516276 0.250000 O\n0.165919 0.331838 0.081096 O\n0.165920 0.834081 0.081096 O\n0.165920 0.834081 0.418904 O\n0.516276 0.032552 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"Sb",
"O"
],
"chemical_system": "Ba-Ni-O-Sb",
"density": 6.561981670161391,
"density_atomic": 0.06907075940598414,
"volume": 434.3371964924547,
"volume_molar": 8.718799115271135,
"formula_full": "Ba6 Ni2 Sb4 O18",
"formula_reduced": "Ba3NiSb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 1.9473542673333333,
"spacegroup": 194
},
{
"id": "jvasp-91267",
"created_at": "2022-09-04T14:36:09.188389Z",
"updated_at": "2022-09-04T14:36:09.188413Z",
"structure_string": "Ba1 Sm2 Ni1 O5\n1.0\n3.638036 0.000000 -1.067852\n-0.751969 5.253537 -2.561861\n0.021092 0.015217 6.802946\nBa Sm Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.798427 0.298428 0.596854 Sm\n0.201574 0.701574 0.403148 Sm\n0.499999 0.500000 0.000000 Ni\n-0.000000 0.500000 0.000000 O\n0.353590 0.595386 0.707182 O\n0.646410 0.404618 0.292820 O\n0.646410 0.888204 0.292820 O\n0.353592 0.111798 0.707182 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Sm",
"density": 7.350258137797379,
"density_atomic": 0.06907452200794205,
"volume": 130.29406123092966,
"volume_molar": 8.718324188052415,
"formula_full": "Ba1 Sm2 Ni1 O5",
"formula_reduced": "BaSm2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.77315818,
"spacegroup": 71
},
{
"id": "jvasp-91368",
"created_at": "2022-09-04T14:36:05.163136Z",
"updated_at": "2022-09-04T14:36:05.163157Z",
"structure_string": "Ba3 Ta2 Ni1 O9\n1.0\n5.796859 -0.000000 -0.000000\n-2.898430 5.020227 -0.000000\n-0.000000 -0.000000 7.133894\nBa Ta Ni O\n3 2 1 9\ndirect\n0.666667 0.333334 0.339221 Ba\n0.333333 0.666666 0.660779 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.176618 Ta\n0.666667 0.333334 0.823381 Ta\n0.000000 0.000000 0.500000 Ni\n0.341563 0.170782 0.674427 O\n0.829218 0.170782 0.674427 O\n0.829219 0.658438 0.674427 O\n0.170781 0.829220 0.325573 O\n0.658438 0.829220 0.325573 O\n0.170781 0.341562 0.325573 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Ta",
"density": 7.811013741115744,
"density_atomic": 0.07225177403014557,
"volume": 207.607359145833,
"volume_molar": 8.334938263920531,
"formula_full": "Ba3 Ta2 Ni1 O9",
"formula_reduced": "Ba3Ta2NiO9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.737684014,
"spacegroup": 164
},
{
"id": "jvasp-7890",
"created_at": "2022-09-04T14:36:31.828590Z",
"updated_at": "2022-09-04T14:36:31.828622Z",
"structure_string": "Ba1 Tb2 Ni1 O5\n1.0\n3.568672 0.000000 -1.054968\n-0.746499 5.178840 -2.525203\n0.050119 0.031343 6.732946\nTb Ba Ni O\n2 1 1 5\ndirect\n0.201629 0.701629 0.403258 Tb\n0.798370 0.298371 0.596742 Tb\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.000001 Ni\n-0.000000 0.500001 0.000000 O\n0.350431 0.591889 0.700864 O\n0.649567 0.408111 0.299137 O\n0.649569 0.891026 0.299137 O\n0.350432 0.108974 0.700864 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tb",
"density": 7.888091405550253,
"density_atomic": 0.07199052636359381,
"volume": 125.0164494498178,
"volume_molar": 8.365185065580302,
"formula_full": "Ba1 Tb2 Ni1 O5",
"formula_reduced": "BaTb2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7418969633333337,
"spacegroup": 71
},
{
"id": "jvasp-9466",
"created_at": "2022-09-04T14:38:13.796451Z",
"updated_at": "2022-09-04T14:38:13.796474Z",
"structure_string": "Ba2 Tl1 Ni2 O7\n1.0\n0.000000 3.645629 -0.000484\n3.645637 0.000000 0.000000\n0.000000 -0.001569 -13.242121\nBa Tl Ni O\n2 1 2 7\ndirect\n0.000002 0.000000 0.283577 Ba\n-0.000015 0.000000 0.716426 Ba\n0.499985 0.500000 0.500004 Tl\n0.500012 0.500000 0.094501 Ni\n0.500026 0.500000 0.905507 Ni\n-0.000002 0.000000 0.500002 O\n0.500010 0.000000 0.119527 O\n0.000014 0.500000 0.119506 O\n0.499968 0.000000 0.880499 O\n0.000009 0.500000 0.880478 O\n0.500001 0.500000 0.341691 O\n0.499985 0.500000 0.658315 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tl",
"density": 6.683999326059475,
"density_atomic": 0.06818326497353142,
"volume": 175.99626542757042,
"volume_molar": 8.832285696992924,
"formula_full": "Ba2 Tl1 Ni2 O7",
"formula_reduced": "Ba2TlNi2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.6960219866666668,
"spacegroup": 123
},
{
"id": "jvasp-9467",
"created_at": "2022-09-04T14:38:28.759451Z",
"updated_at": "2022-09-04T14:38:28.759488Z",
"structure_string": "Ba2 Y1 Tl1 Ni2 O7\n1.0\n3.797898 0.000000 0.000000\n0.000000 3.797898 0.000000\n0.000000 -0.000000 12.984039\nBa Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.793029 Ba\n0.500000 0.500000 0.206971 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.626060 Ni\n0.000000 0.000000 0.373940 Ni\n0.000000 0.000000 0.835553 O\n0.500000 0.000000 0.610860 O\n0.000000 0.500000 0.610860 O\n0.000000 0.500000 0.389140 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.389140 O\n0.000000 0.000000 0.164447 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tl-Y",
"density": 7.069496483083011,
"density_atomic": 0.06941398019518666,
"volume": 187.28215790889703,
"volume_molar": 8.675688590491733,
"formula_full": "Ba2 Y1 Tl1 Ni2 O7",
"formula_reduced": "Ba2YTlNi2O7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": 1.7990168684615382,
"spacegroup": 123
},
{
"id": "jvasp-7853",
"created_at": "2022-09-04T14:37:04.409607Z",
"updated_at": "2022-09-04T14:37:04.409629Z",
"structure_string": "Ba1 Tm2 Ni1 O5\n1.0\n3.561941 -0.000000 -1.058992\n-0.738330 5.092340 -2.483388\n0.023133 0.015596 6.597632\nBa Tm Ni O\n1 2 1 5\ndirect\n0.499999 0.500000 -0.000000 Ba\n0.297955 0.797956 0.595910 Tm\n0.702043 0.202045 0.404091 Tm\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000000 0.000001 O\n0.151854 0.912385 0.303706 O\n0.848147 0.087616 0.696295 O\n0.848146 0.608680 0.696294 O\n0.151852 0.391321 0.303704 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tm",
"density": 8.498612160322073,
"density_atomic": 0.07503326081161883,
"volume": 119.94680629162205,
"volume_molar": 8.025961680006684,
"formula_full": "Ba1 Tm2 Ni1 O5",
"formula_reduced": "BaTm2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7132004855555554,
"spacegroup": 71
},
{
"id": "jvasp-11771",
"created_at": "2022-09-04T14:37:08.116402Z",
"updated_at": "2022-09-04T14:37:08.116424Z",
"structure_string": "Ba2 U1 Ni1 O6\n1.0\n5.131517 0.000000 2.962682\n1.710506 4.838041 2.962682\n0.000000 0.000000 5.925365\nBa U Ni O\n2 1 1 6\ndirect\n0.249999 0.250001 0.249999 Ba\n0.750000 0.750001 0.749999 Ba\n0.000000 0.000000 0.000000 U\n0.500001 0.500000 0.500000 Ni\n0.249685 0.750315 0.750314 O\n0.249685 0.750315 0.249684 O\n0.750314 0.249686 0.750314 O\n0.249686 0.249686 0.750314 O\n0.750314 0.249686 0.249685 O\n0.750317 0.750315 0.249683 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"U",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-U",
"density": 7.533332159797216,
"density_atomic": 0.06797818669242775,
"volume": 147.10601277503514,
"volume_molar": 8.8589311557362,
"formula_full": "Ba2 U1 Ni1 O6",
"formula_reduced": "Ba2UNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.227789134,
"spacegroup": 225
},
{
"id": "jvasp-11473",
"created_at": "2022-09-04T14:38:05.317891Z",
"updated_at": "2022-09-04T14:38:05.317906Z",
"structure_string": "Ba1 V2 Ni2 O8\n1.0\n4.806778 0.020048 6.486796\n2.155878 4.296243 6.486796\n0.032340 0.020049 8.073573\nBa V Ni O\n1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.574752 0.574751 0.574751 V\n0.425249 0.425249 0.425249 V\n0.830705 0.830704 0.830704 Ni\n0.169296 0.169296 0.169296 Ni\n0.437323 0.789141 0.118157 O\n0.789142 0.118157 0.437322 O\n0.118157 0.437322 0.789141 O\n0.562678 0.210859 0.881843 O\n0.210859 0.881843 0.562678 O\n0.350510 0.350510 0.350510 O\n0.649491 0.649490 0.649490 O\n0.881844 0.562678 0.210858 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"V",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-V",
"density": 4.8728184498695155,
"density_atomic": 0.07872238542347833,
"volume": 165.1372723281687,
"volume_molar": 7.649845374482192,
"formula_full": "Ba1 V2 Ni2 O8",
"formula_reduced": "BaV2(NiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.6511120900000003,
"spacegroup": 148
}
]
}