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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=118",
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"results": [
{
"id": "jvasp-56546",
"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Bi-Br-Cd-Se",
"density": 6.678819295657802,
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"volume": 556.145616305606,
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"formula_full": "Cd4 Bi4 Se8 Br4",
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"formula_anonymous": "ABCD2",
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"spacegroup": 62
},
{
"id": "jvasp-101662",
"created_at": "2022-09-04T14:37:01.209540Z",
"updated_at": "2022-09-04T14:37:01.209572Z",
"structure_string": "Pr2 Si2 Os4 C2\n1.0\n5.936073 -0.007205 0.000000\n-4.582142 3.773724 0.000000\n0.000000 0.000000 7.220575\nPr Si Os C\n2 2 4 2\ndirect\n0.549714 0.450284 0.250000 Pr\n0.450284 0.549714 0.750000 Pr\n0.270838 0.729160 0.250000 Si\n0.729160 0.270838 0.750000 Si\n0.833921 0.166077 0.059234 Os\n0.166077 0.833921 0.940766 Os\n0.166077 0.833921 0.559233 Os\n0.833921 0.166077 0.440766 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Os",
"C"
],
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"density": 11.545168333391576,
"density_atomic": 0.061915498945840954,
"volume": 161.5104484379146,
"volume_molar": 9.72638654703844,
"formula_full": "Pr2 Si2 Os4 C2",
"formula_reduced": "PrSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.759111690000001,
"spacegroup": 63
},
{
"id": "jvasp-51403",
"created_at": "2022-09-04T14:37:10.933867Z",
"updated_at": "2022-09-04T14:37:10.933887Z",
"structure_string": "Na4 H4 C4 N8\n1.0\n3.450025 0.000000 0.000000\n0.000000 6.408541 0.000000\n0.000000 0.000000 10.478696\nNa H C N\n4 4 4 8\ndirect\n0.766923 0.500000 0.250000 Na\n0.233076 0.000000 0.750000 Na\n0.233076 0.500000 0.750000 Na\n0.766923 0.000000 0.250000 Na\n0.820180 0.250000 0.911148 H\n0.179819 0.750000 0.088852 H\n0.820180 0.750000 0.588852 H\n0.179819 0.250000 0.411148 H\n0.805659 0.250000 0.548270 C\n0.194339 0.750000 0.451730 C\n0.805659 0.750000 0.951730 C\n0.194339 0.250000 0.048270 C\n0.295963 0.250000 0.157715 N\n0.704035 0.750000 0.842286 N\n0.295963 0.750000 0.342285 N\n0.704035 0.250000 0.657715 N\n0.113170 0.250000 0.929550 N\n0.886829 0.750000 0.070450 N\n0.113170 0.750000 0.570451 N\n0.886829 0.250000 0.429550 N\n",
"nsites": 20,
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"elements": [
"Na",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Na",
"density": 1.8354746116486547,
"density_atomic": 0.08632594580568516,
"volume": 231.68005648057274,
"volume_molar": 6.976049557053796,
"formula_full": "Na4 H4 C4 N8",
"formula_reduced": "NaHCN2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.8099771,
"spacegroup": 57
},
{
"id": "jvasp-103728",
"created_at": "2022-09-04T14:36:43.346323Z",
"updated_at": "2022-09-04T14:36:43.346344Z",
"structure_string": "Ba1 Bi1 Cl1 O2\n1.0\n3.852805 -0.060044 -6.120099\n-0.371508 3.835322 -6.120099\n0.055368 0.060044 7.231642\nBa Bi Cl O\n1 1 1 2\ndirect\n0.864763 0.864763 0.000001 Ba\n0.166736 0.166736 0.000000 Bi\n0.488068 0.488068 0.000000 Cl\n0.740217 0.240216 0.500001 O\n0.240216 0.740216 0.499999 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 6.270477035882924,
"density_atomic": 0.04563245404027774,
"volume": 109.57113977667565,
"volume_molar": 13.197056539375513,
"formula_full": "Ba1 Bi1 Cl1 O2",
"formula_reduced": "BaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7680902675000001,
"spacegroup": 107
},
{
"id": "jvasp-106657",
"created_at": "2022-09-04T14:37:00.809698Z",
"updated_at": "2022-09-04T14:37:00.809723Z",
"structure_string": "Ce2 Re4 Si2 C2\n1.0\n5.855599 -0.005617 0.000000\n-4.493923 3.754028 0.000000\n-0.000000 -0.000000 7.357836\nCe Re Si C\n2 4 2 2\ndirect\n0.543208 0.456792 0.250000 Ce\n0.456792 0.543208 0.750000 Ce\n0.826388 0.173612 0.061109 Re\n0.173613 0.826388 0.938892 Re\n0.173613 0.826388 0.561109 Re\n0.826388 0.173612 0.438892 Re\n0.265187 0.734814 0.250000 Si\n0.734814 0.265186 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Re",
"Si",
"C"
],
"chemical_system": "C-Ce-Re-Si",
"density": 11.360321408109021,
"density_atomic": 0.06189848999388389,
"volume": 161.55482954411468,
"volume_molar": 9.729059239724654,
"formula_full": "Ce2 Re4 Si2 C2",
"formula_reduced": "CeRe2SiC",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-103000",
"created_at": "2022-09-04T14:36:43.322482Z",
"updated_at": "2022-09-04T14:36:43.322505Z",
"structure_string": "Pr2 Si2 Ru4 C2\n1.0\n5.921797 0.007904 0.000000\n-4.597239 3.732711 -0.000000\n0.000000 0.000000 7.231775\nPr Si Ru C\n2 2 4 2\ndirect\n0.550640 0.449359 0.250000 Pr\n0.449359 0.550640 0.750001 Pr\n0.272004 0.727995 0.250000 Si\n0.727995 0.272003 0.750001 Si\n0.835193 0.164805 0.058395 Ru\n0.164806 0.835193 0.941606 Ru\n0.164806 0.835193 0.558395 Ru\n0.835193 0.164805 0.441605 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Si",
"Ru",
"C"
],
"chemical_system": "C-Pr-Ru-Si",
"density": 7.9470295685634325,
"density_atomic": 0.06245452028306054,
"volume": 160.11651285891452,
"volume_molar": 9.642441784367334,
"formula_full": "Pr2 Si2 Ru4 C2",
"formula_reduced": "PrSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.12052989,
"spacegroup": 63
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
"nsites": 10,
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"elements": [
"Ba",
"Ga",
"Ge",
"N"
],
"chemical_system": "Ba-Ga-Ge-N",
"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
"volume_molar": 16.444038808298984,
"formula_full": "Ba4 Ga2 Ge2 N2",
"formula_reduced": "Ba2GaGeN",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.929606693,
"spacegroup": 11
},
{
"id": "jvasp-109365",
"created_at": "2022-09-04T14:38:20.480281Z",
"updated_at": "2022-09-04T14:38:20.480306Z",
"structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n4.293543 -0.000000 0.000000\n-2.146771 3.718318 0.000000\n0.000000 0.000000 6.921149\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985545 Sm\n0.666666 0.333334 0.375923 Zn\n0.333333 0.666667 0.635171 Ag\n0.333333 0.666667 0.242976 As\n0.666666 0.333334 0.760385 As\n",
"nsites": 5,
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"elements": [
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"As"
],
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"density": 7.115584143387511,
"density_atomic": 0.045251133221049934,
"volume": 110.49447039425962,
"volume_molar": 13.308265078317682,
"formula_full": "Sm1 Zn1 Ag1 As2",
"formula_reduced": "SmZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7910080069999998,
"spacegroup": 156
},
{
"id": "jvasp-101133",
"created_at": "2022-09-04T14:36:44.963838Z",
"updated_at": "2022-09-04T14:36:44.963856Z",
"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.696441209686029,
"density_atomic": 0.06397214168646125,
"volume": 78.15902153949891,
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"formula_full": "Nd1 Fe1 Co1 Si2",
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"spacegroup": 119
},
{
"id": "jvasp-100768",
"created_at": "2022-09-04T14:36:42.909384Z",
"updated_at": "2022-09-04T14:36:42.909409Z",
"structure_string": "Ho2 Re4 Si2 C2\n1.0\n5.821702 -0.009145 0.000000\n-4.487198 3.709091 0.000000\n-0.000000 -0.000000 7.286937\nHo Re Si C\n2 4 2 2\ndirect\n0.542302 0.457696 0.250000 Ho\n0.457696 0.542302 0.750000 Ho\n0.827089 0.172908 0.060641 Re\n0.172909 0.827090 0.939359 Re\n0.172909 0.827090 0.560642 Re\n0.827089 0.172908 0.439359 Re\n0.265201 0.734798 0.250000 Si\n0.734797 0.265200 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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],
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"density": 12.210964992869012,
"density_atomic": 0.06367422053088871,
"volume": 157.04942937069714,
"volume_molar": 9.457737699480164,
"formula_full": "Ho2 Re4 Si2 C2",
"formula_reduced": "HoRe2SiC",
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"spacegroup": 63
},
{
"id": "jvasp-100427",
"created_at": "2022-09-04T14:36:47.943911Z",
"updated_at": "2022-09-04T14:36:47.943928Z",
"structure_string": "Bi1 Pb1 I1 O2\n1.0\n3.904522 -0.006344 -6.373370\n-0.315814 3.891734 -6.373370\n0.005860 0.006344 7.474296\nBi Pb I O\n1 1 1 2\ndirect\n0.335408 0.335408 0.000000 Bi\n0.660194 0.660193 0.000000 Pb\n0.991561 0.991560 0.000000 I\n0.756418 0.256418 0.500000 O\n0.256419 0.756417 0.500000 O\n",
"nsites": 5,
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],
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"volume": 113.8758757901424,
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"formula_full": "Bi1 Pb1 I1 O2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 107
}
]
}