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=formula_full&page=209",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=207",
"results": [
{
"id": "jvasp-69161",
"created_at": "2022-09-04T14:35:42.915886Z",
"updated_at": "2022-09-04T14:35:42.915909Z",
"structure_string": "Ba1 Fe1 Pt2\n1.0\n-2.333294 2.333294 3.909506\n2.333294 -2.333294 3.909506\n2.333294 2.333294 -3.909506\nBa Fe Pt\n1 1 2\ndirect\n0.250000 0.749999 0.499999 Ba\n0.749999 0.250000 0.499999 Fe\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Pt"
],
"chemical_system": "Ba-Fe-Pt",
"density": 11.377584009335106,
"density_atomic": 0.04698283158132088,
"volume": 85.13748246689953,
"volume_molar": 12.817747584192524,
"formula_full": "Ba1 Fe1 Pt2",
"formula_reduced": "BaFePt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1674610675,
"spacegroup": 139
},
{
"id": "jvasp-85125",
"created_at": "2022-09-04T14:37:16.454384Z",
"updated_at": "2022-09-04T14:37:16.454398Z",
"structure_string": "Ba1 Fe2 As2\n1.0\n3.804604 0.000000 -1.106044\n-0.321541 3.790993 -1.106044\n-0.053741 -0.058492 6.911760\nBa Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500001 Fe\n0.749999 0.250000 0.500001 Fe\n0.346203 0.346203 0.692406 As\n0.653797 0.653797 0.307595 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"As"
],
"chemical_system": "As-Ba-Fe",
"density": 6.676803562634035,
"density_atomic": 0.05040444107352261,
"volume": 99.19760825651717,
"volume_molar": 11.947639199521694,
"formula_full": "Ba1 Fe2 As2",
"formula_reduced": "Ba(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.280262094,
"spacegroup": 139
},
{
"id": "jvasp-87134",
"created_at": "2022-09-04T14:38:18.487789Z",
"updated_at": "2022-09-04T14:38:18.487811Z",
"structure_string": "Ba1 Fe2 As2\n1.0\n3.804604 0.000000 -1.106044\n-0.321541 3.790993 -1.106044\n-0.053741 -0.058492 6.911760\nBa Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500001 Fe\n0.749999 0.250000 0.500001 Fe\n0.346203 0.346203 0.692406 As\n0.653797 0.653797 0.307595 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"As"
],
"chemical_system": "As-Ba-Fe",
"density": 6.676803562634035,
"density_atomic": 0.05040444107352261,
"volume": 99.19760825651717,
"volume_molar": 11.947639199521694,
"formula_full": "Ba1 Fe2 As2",
"formula_reduced": "Ba(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.280262094,
"spacegroup": 139
},
{
"id": "jvasp-102237",
"created_at": "2022-09-04T14:36:42.342727Z",
"updated_at": "2022-09-04T14:36:42.342755Z",
"structure_string": "Ba1 Fe2 N2\n1.0\n3.346586 0.000138 -0.000011\n-1.673388 2.898150 0.000036\n-0.000023 -0.000079 6.739398\nBa Fe N\n1 2 2\ndirect\n0.000001 -0.000008 0.500003 Ba\n0.666663 0.333322 0.105396 Fe\n0.333339 0.666659 0.894602 Fe\n0.666670 0.333325 0.826820 N\n0.333332 0.666655 0.173181 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"N"
],
"chemical_system": "Ba-Fe-N",
"density": 7.037561969314594,
"density_atomic": 0.07649194601220898,
"volume": 65.36635895237838,
"volume_molar": 7.872908291598176,
"formula_full": "Ba1 Fe2 N2",
"formula_reduced": "Ba(FeN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5633786940000003,
"spacegroup": 164
},
{
"id": "jvasp-15468",
"created_at": "2022-09-04T14:36:50.760854Z",
"updated_at": "2022-09-04T14:36:50.760883Z",
"structure_string": "Ba1 Fe2 P2\n1.0\n3.672589 -0.000000 -1.083069\n-0.319403 3.658674 -1.083069\n-0.009131 -0.009963 6.737280\nBa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.660727 0.660726 0.321454 P\n0.339274 0.339274 0.678546 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"P"
],
"chemical_system": "Ba-Fe-P",
"density": 5.708995525529512,
"density_atomic": 0.055280220107728456,
"volume": 90.44826504409983,
"volume_molar": 10.893843671867135,
"formula_full": "Ba1 Fe2 P2",
"formula_reduced": "Ba(FeP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.500971594,
"spacegroup": 139
},
{
"id": "jvasp-53662",
"created_at": "2022-09-04T14:35:49.251920Z",
"updated_at": "2022-09-04T14:35:49.251950Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.592651 0.170508 2.427811\n2.135000 5.620024 1.131933\n-0.290983 0.082239 6.110051\nBa Fe S\n1 2 4\ndirect\n0.750000 -0.000047 0.000047 Ba\n0.250000 0.499940 0.500060 Fe\n0.750000 0.500058 0.499942 Fe\n0.154059 0.500020 0.192120 S\n0.345941 0.807880 0.499979 S\n0.654069 0.192133 0.499983 S\n0.845931 0.500016 0.807867 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 3.930407540763122,
"density_atomic": 0.043916345878424703,
"volume": 159.39395366313872,
"volume_molar": 13.712754646461985,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.178048138571428,
"spacegroup": 97
},
{
"id": "jvasp-53439",
"created_at": "2022-09-04T14:35:49.705871Z",
"updated_at": "2022-09-04T14:35:49.705887Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n5.072555 0.019576 0.017261\n2.514560 5.333228 0.007152\n2.517406 0.010753 5.332671\nBa Fe S\n1 2 4\ndirect\n0.985678 -0.000004 -0.000006 Ba\n0.235879 0.500015 0.500010 Fe\n0.735892 0.499993 0.499993 Fe\n0.183640 0.413824 0.190534 S\n0.374283 0.809487 0.413850 S\n0.597501 0.190513 0.586146 S\n0.788133 0.586174 0.809471 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.357494531708043,
"density_atomic": 0.04868839555011629,
"volume": 143.77142481096362,
"volume_molar": 12.36873939253399,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701838528571424,
"spacegroup": 87
},
{
"id": "jvasp-18452",
"created_at": "2022-09-04T14:36:42.387443Z",
"updated_at": "2022-09-04T14:36:42.387462Z",
"structure_string": "Ba1 Fe2 S4\n1.0\n4.559477 -0.000000 2.222141\n2.279738 5.322863 1.111071\n-0.052240 -0.000000 5.895915\nBa Fe S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750001 0.500000 0.500000 Fe\n0.250000 0.500000 0.500000 Fe\n0.388417 0.413655 0.809512 S\n0.197928 0.190489 0.413655 S\n0.802073 0.809511 0.586345 S\n0.611584 0.586345 0.190489 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"S"
],
"chemical_system": "Ba-Fe-S",
"density": 4.359398176605016,
"density_atomic": 0.04870966589596671,
"volume": 143.7086432690892,
"volume_molar": 12.363338259929739,
"formula_full": "Ba1 Fe2 S4",
"formula_reduced": "Ba(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1701952814285708,
"spacegroup": 87
},
{
"id": "jvasp-94838",
"created_at": "2022-09-04T14:35:57.994673Z",
"updated_at": "2022-09-04T14:35:57.994693Z",
"structure_string": "Ba1 Fe2 Se4\n1.0\n0.000000 -0.000000 -5.249116\n-3.958415 3.958416 -2.624558\n3.958416 3.958415 -2.624558\nBa Fe Se\n1 2 4\ndirect\n0.500000 0.000000 0.000000 Ba\n0.750001 0.499999 0.500001 Fe\n0.250001 0.499999 0.500001 Fe\n0.297461 0.819000 0.586080 Se\n0.702541 0.180998 0.413921 Se\n0.883540 0.413920 0.819001 Se\n0.116461 0.586079 0.181000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 5.702019386530216,
"density_atomic": 0.04255387533775856,
"volume": 164.49735645554276,
"volume_molar": 14.151803360331044,
"formula_full": "Ba1 Fe2 Se4",
"formula_reduced": "Ba(FeSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8757957766666664,
"spacegroup": 87
},
{
"id": "jvasp-58461",
"created_at": "2022-09-04T14:37:09.282174Z",
"updated_at": "2022-09-04T14:37:09.282200Z",
"structure_string": "Ba1 Fe4 O8\n1.0\n2.713160 -4.699332 -0.000000\n2.713160 4.699332 0.000000\n-0.000000 -0.000000 7.055817\nBa Fe O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.256821 Fe\n0.666667 0.333333 0.256821 Fe\n0.333333 0.666667 0.743179 Fe\n0.666667 0.333333 0.743179 Fe\n0.643588 0.643588 0.304854 O\n0.000000 0.356412 0.304854 O\n0.356412 0.000000 0.304854 O\n0.356412 0.356412 0.695146 O\n0.643588 0.000000 0.695146 O\n0.000000 0.643588 0.695146 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O",
"density": 4.510290901257412,
"density_atomic": 0.0722527721194986,
"volume": 179.92389244940452,
"volume_molar": 8.334823126287809,
"formula_full": "Ba1 Fe4 O8",
"formula_reduced": "Ba(FeO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.983938920769231,
"spacegroup": 162
},
{
"id": "jvasp-66489",
"created_at": "2022-09-04T14:35:47.830729Z",
"updated_at": "2022-09-04T14:35:47.830758Z",
"structure_string": "Ba1 Ga1 Bi1\n1.0\n0.000000 3.938768 3.938768\n3.938768 -0.000000 3.938768\n3.938768 3.938768 0.000000\nBa Ga Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Bi"
],
"chemical_system": "Ba-Bi-Ga",
"density": 5.652791479707391,
"density_atomic": 0.02454765756744513,
"volume": 122.21125342641945,
"volume_molar": 24.532445686331005,
"formula_full": "Ba1 Ga1 Bi1",
"formula_reduced": "BaGaBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0964861041666666,
"spacegroup": 216
},
{
"id": "jvasp-69342",
"created_at": "2022-09-04T14:36:14.939224Z",
"updated_at": "2022-09-04T14:36:14.939255Z",
"structure_string": "Ba1 Ga1 Bi2\n1.0\n4.287354 0.000000 0.000000\n0.000000 4.287312 0.000000\n0.000000 0.000000 7.241495\nBa Ga Bi\n1 1 2\ndirect\n0.500000 0.500000 0.744291 Ba\n0.000000 0.000000 0.452265 Ga\n0.000000 0.000000 0.048783 Bi\n0.500000 0.500000 0.254664 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Bi"
],
"chemical_system": "Ba-Bi-Ga",
"density": 7.79711519735709,
"density_atomic": 0.03005088888489372,
"volume": 133.10754351798093,
"volume_molar": 20.03980908207767,
"formula_full": "Ba1 Ga1 Bi2",
"formula_reduced": "BaGaBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2765381531250001,
"spacegroup": 99
}
]
}