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=energy_above_hull&page=1086",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1084",
"results": [
{
"id": "jvasp-101007",
"created_at": "2022-09-04T14:36:40.156120Z",
"updated_at": "2022-09-04T14:36:40.156145Z",
"structure_string": "Nd2 Tl1 Ag1\n1.0\n4.679787 -0.000000 2.701876\n1.559929 4.412145 2.701876\n-0.000000 -0.000000 5.403752\nNd Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.750001 0.750000 Nd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500001 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Ag"
],
"chemical_system": "Ag-Nd-Tl",
"density": 8.940485886650425,
"density_atomic": 0.03584996358018363,
"volume": 111.5761245071678,
"volume_molar": 16.79817818093625,
"formula_full": "Nd2 Tl1 Ag1",
"formula_reduced": "Nd2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.498790715,
"spacegroup": 225
},
{
"id": "jvasp-102195",
"created_at": "2022-09-04T14:36:31.821895Z",
"updated_at": "2022-09-04T14:36:31.821921Z",
"structure_string": "Mg1 In2 Se4\n1.0\n4.079666 0.012300 12.905915\n2.001508 3.554968 12.905915\n0.020967 0.012300 13.535358\nMg In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.763614 0.763614 0.763612 In\n0.236387 0.236387 0.236386 In\n0.872122 0.872121 0.872119 Se\n0.700292 0.700292 0.700290 Se\n0.127880 0.127880 0.127879 Se\n0.299709 0.299709 0.299708 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"In",
"Se"
],
"chemical_system": "In-Mg-Se",
"density": 4.859927616717878,
"density_atomic": 0.035955951042559074,
"volume": 194.6826546658295,
"volume_molar": 16.748662141829943,
"formula_full": "Mg1 In2 Se4",
"formula_reduced": "Mg(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4988646366666667,
"spacegroup": 166
},
{
"id": "jvasp-41425",
"created_at": "2022-09-04T14:38:02.701076Z",
"updated_at": "2022-09-04T14:38:02.701085Z",
"structure_string": "U1 F3\n1.0\n-1.853129 1.853129 3.488167\n1.853129 -1.853129 3.488167\n1.853129 1.853129 -3.488167\nU F\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.749999 0.250000 0.499999 F\n0.250000 0.749999 0.499999 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 10.224405260707027,
"density_atomic": 0.08348172721880798,
"volume": 47.91467705879978,
"volume_molar": 7.213723242950877,
"formula_full": "U1 F3",
"formula_reduced": "UF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4989867118750002,
"spacegroup": 139
},
{
"id": "jvasp-91924",
"created_at": "2022-09-04T14:35:49.049529Z",
"updated_at": "2022-09-04T14:35:49.049562Z",
"structure_string": "Tm2 Ag2 Te4\n1.0\n0.000000 0.000000 4.635851\n7.046762 0.000000 -0.000000\n0.000000 7.046762 0.000000\nTm Ag Te\n2 2 4\ndirect\n0.809587 0.000000 0.500000 Tm\n0.190413 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.294616 0.202095 0.702095 Te\n0.705383 0.297905 0.202095 Te\n0.294616 0.797905 0.297905 Te\n0.705383 0.702095 0.797905 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Ag",
"Te"
],
"chemical_system": "Ag-Te-Tm",
"density": 7.675099536187898,
"density_atomic": 0.034752120592767284,
"volume": 230.2017794466616,
"volume_molar": 17.328843987878386,
"formula_full": "Tm2 Ag2 Te4",
"formula_reduced": "TmAgTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4989992608333334,
"spacegroup": 113
},
{
"id": "jvasp-17771",
"created_at": "2022-09-04T14:38:11.760300Z",
"updated_at": "2022-09-04T14:38:11.760330Z",
"structure_string": "Nd1 Pb3\n1.0\n4.920423 -0.000000 0.000000\n-0.000000 4.920423 -0.000000\n-0.000000 -0.000000 4.920423\nNd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Pb"
],
"chemical_system": "Nd-Pb",
"density": 10.675321368715252,
"density_atomic": 0.03357783352851151,
"volume": 119.12620856266776,
"volume_molar": 17.934869904237562,
"formula_full": "Nd1 Pb3",
"formula_reduced": "NdPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.49902599,
"spacegroup": 221
},
{
"id": "jvasp-57706",
"created_at": "2022-09-04T14:38:05.079248Z",
"updated_at": "2022-09-04T14:38:05.079276Z",
"structure_string": "Yb4 Cd2 S8\n1.0\n6.898718 0.000000 3.982976\n2.299572 6.504174 3.982976\n-0.000000 0.000000 7.965953\nYb Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.745006 0.745005 0.745006 S\n0.254994 0.254994 0.735018 S\n0.254994 0.735018 0.254995 S\n0.735018 0.254994 0.254995 S\n0.745006 0.264982 0.745006 S\n0.264982 0.745005 0.745006 S\n0.254994 0.254994 0.254995 S\n0.745006 0.745005 0.264983 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 5.451733882191321,
"density_atomic": 0.03916785175512984,
"volume": 357.4359933632666,
"volume_molar": 15.375213319457268,
"formula_full": "Yb4 Cd2 S8",
"formula_reduced": "Yb2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4991115928571427,
"spacegroup": 227
},
{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Br"
],
"chemical_system": "Al-Bi-Br",
"density": 5.077678694498043,
"density_atomic": 0.029336187287223415,
"volume": 1363.5037030671303,
"volume_molar": 20.52802806662876,
"formula_full": "Al6 Bi10 Br24",
"formula_reduced": "Al3Bi5Br12",
"formula_anonymous": "A3B5C12",
"energy_above_hull": 0.4991759579999999,
"spacegroup": 167
},
{
"id": "jvasp-66683",
"created_at": "2022-09-04T14:36:06.508670Z",
"updated_at": "2022-09-04T14:36:06.508697Z",
"structure_string": "Ba4 Bi1 Pt1\n1.0\n-0.000000 4.852655 4.852655\n4.852655 -0.000000 4.852655\n4.852655 4.852655 -0.000000\nBa Bi Pt\n4 1 1\ndirect\n0.124228 0.625257 0.625257 Ba\n0.625257 0.625257 0.625257 Ba\n0.625257 0.124228 0.625257 Ba\n0.625257 0.625257 0.124228 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Pt"
],
"chemical_system": "Ba-Bi-Pt",
"density": 6.926971937038233,
"density_atomic": 0.026253245883663075,
"volume": 228.54316858905787,
"volume_molar": 22.938652182995288,
"formula_full": "Ba4 Bi1 Pt1",
"formula_reduced": "Ba4BiPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4993465966666666,
"spacegroup": 216
},
{
"id": "jvasp-67582",
"created_at": "2022-09-04T14:35:48.925979Z",
"updated_at": "2022-09-04T14:35:48.925994Z",
"structure_string": "K1 Be1 Pb2\n1.0\n3.810039 0.000000 0.000000\n-0.000000 3.810039 0.000000\n0.000000 -0.000000 8.149273\nK Be Pb\n1 1 2\ndirect\n0.500000 0.500000 0.744656 K\n0.000000 0.000000 0.369902 Be\n0.000000 0.000000 0.054537 Pb\n0.500000 0.500000 0.330905 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Pb"
],
"chemical_system": "Be-K-Pb",
"density": 6.4922161090432855,
"density_atomic": 0.03381288925383471,
"volume": 118.29808360864521,
"volume_molar": 17.810192778237756,
"formula_full": "K1 Be1 Pb2",
"formula_reduced": "KBePb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4993552525,
"spacegroup": 99
},
{
"id": "jvasp-109564",
"created_at": "2022-09-04T14:38:27.914616Z",
"updated_at": "2022-09-04T14:38:27.914647Z",
"structure_string": "Mg4 Sc2\n1.0\n5.916812 0.011040 1.546102\n5.054756 3.075423 1.546102\n-0.025598 -0.007201 7.604390\nMg Sc\n4 2\ndirect\n0.029220 0.029220 0.693960 Mg\n0.305417 0.305417 0.642089 Mg\n0.694583 0.694582 0.357911 Mg\n0.970781 0.970779 0.306039 Mg\n0.361530 0.361530 0.026088 Sc\n0.638470 0.638470 0.973911 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sc"
],
"chemical_system": "Mg-Sc",
"density": 2.2504108890494097,
"density_atomic": 0.0434526555345573,
"volume": 138.08131922405255,
"volume_molar": 13.859085678228974,
"formula_full": "Mg4 Sc2",
"formula_reduced": "Mg2Sc",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4993783833333333,
"spacegroup": 12
},
{
"id": "jvasp-106288",
"created_at": "2022-09-04T14:38:17.372500Z",
"updated_at": "2022-09-04T14:38:17.372522Z",
"structure_string": "Tb4 Cl6\n1.0\n6.897742 -0.039644 3.619681\n5.848607 3.657075 3.619681\n-0.176031 -0.049958 10.087814\nTb Cl\n4 6\ndirect\n0.911204 0.911207 0.447284 Tb\n0.088795 0.088795 0.552716 Tb\n0.637864 0.637866 0.206563 Tb\n0.362135 0.362136 0.793436 Tb\n0.842602 0.842605 0.012294 Cl\n0.157397 0.157397 0.987705 Cl\n0.729815 0.729818 0.382170 Cl\n0.270184 0.270184 0.617829 Cl\n0.451607 0.451609 0.230125 Cl\n0.548392 0.548393 0.769874 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tb",
"Cl"
],
"chemical_system": "Cl-Tb",
"density": 5.432068069312723,
"density_atomic": 0.038557202419708295,
"volume": 259.3549161359424,
"volume_molar": 15.618718117686404,
"formula_full": "Tb4 Cl6",
"formula_reduced": "Tb2Cl3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.499646,
"spacegroup": 12
},
{
"id": "jvasp-114795",
"created_at": "2022-09-04T14:38:42.783867Z",
"updated_at": "2022-09-04T14:38:42.783884Z",
"structure_string": "Na1 Y1 Cl1\n1.0\n3.468454 0.000000 0.000000\n0.000000 3.468454 -0.000000\n-0.000000 -0.000000 8.589955\nNa Y Cl\n1 1 1\ndirect\n0.000000 0.000000 0.591856 Na\n0.000000 0.000000 -0.002360 Y\n0.000000 0.000000 0.287809 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.36773122341833,
"density_atomic": 0.029030765508099573,
"volume": 103.33864600170467,
"volume_molar": 20.743995739002553,
"formula_full": "Na1 Y1 Cl1",
"formula_reduced": "NaYCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4997435694444446,
"spacegroup": 99
}
]
}