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=updated_at&page=189",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=187",
"results": [
{
"id": "jvasp-3618",
"created_at": "2022-09-04T14:35:46.894823Z",
"updated_at": "2022-09-04T14:35:46.894841Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.527869 0.000000 0.000000\n0.000000 4.527869 0.000000\n0.000000 0.000000 7.480885\nBa Br F\n2 2 2\ndirect\n0.000000 0.500000 0.806384 Ba\n0.500000 0.000000 0.193616 Ba\n0.500000 0.000000 0.648767 Br\n0.000000 0.500000 0.351233 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Br",
"F"
],
"chemical_system": "Ba-Br-F",
"density": 5.115314739753813,
"density_atomic": 0.03912105561947992,
"volume": 153.3700945690321,
"volume_molar": 15.393604964487048,
"formula_full": "Ba2 Br2 F2",
"formula_reduced": "BaBrF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0055466666666668,
"spacegroup": 129
},
{
"id": "jvasp-71582",
"created_at": "2022-09-04T14:35:46.902401Z",
"updated_at": "2022-09-04T14:35:46.902430Z",
"structure_string": "Be1 Tl2 Fe1\n1.0\n3.104849 -0.000000 -0.000000\n0.000000 3.104849 0.000000\n0.000000 -0.000000 7.662553\nBe Tl Fe\n1 2 1\ndirect\n0.000000 0.000000 0.594254 Be\n0.000000 0.000000 0.933418 Tl\n0.500000 0.500000 0.304492 Tl\n0.500000 0.500000 0.667835 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Fe"
],
"chemical_system": "Be-Fe-Tl",
"density": 10.647021719360074,
"density_atomic": 0.05415088171473733,
"volume": 73.86767995896524,
"volume_molar": 11.121039158187992,
"formula_full": "Be1 Tl2 Fe1",
"formula_reduced": "BeTl2Fe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1156241999999998,
"spacegroup": 99
},
{
"id": "jvasp-91531",
"created_at": "2022-09-04T14:35:46.906772Z",
"updated_at": "2022-09-04T14:35:46.906787Z",
"structure_string": "Li1 Au1 F6\n1.0\n-2.476358 -4.289177 0.000000\n2.476358 -4.289177 0.000000\n0.000000 -2.859451 4.581944\nLi Au F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.909006 0.604244 0.245965 F\n0.604244 0.240787 0.245965 F\n0.240787 0.909006 0.245965 F\n0.090995 0.395757 0.754034 F\n0.395757 0.759214 0.754034 F\n0.759214 0.090995 0.754034 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Au",
"F"
],
"chemical_system": "Au-F-Li",
"density": 5.423375891792737,
"density_atomic": 0.08219072592684774,
"volume": 97.33458257955094,
"volume_molar": 7.327031963873745,
"formula_full": "Li1 Au1 F6",
"formula_reduced": "LiAuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.4999999999997247e-05,
"spacegroup": 148
},
{
"id": "jvasp-14964",
"created_at": "2022-09-04T14:35:46.907621Z",
"updated_at": "2022-09-04T14:35:46.907647Z",
"structure_string": "Mn3 Rh1\n1.0\n3.596312 0.000000 -0.000000\n0.000000 3.596312 -0.000000\n0.000000 0.000000 3.596312\nMn Rh\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh",
"density": 9.557784522398222,
"density_atomic": 0.08599791161006534,
"volume": 46.51275740435345,
"volume_molar": 7.002659305618717,
"formula_full": "Mn3 Rh1",
"formula_reduced": "Mn3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 3.9099186810344815,
"spacegroup": 221
},
{
"id": "jvasp-75041",
"created_at": "2022-09-04T14:35:46.910922Z",
"updated_at": "2022-09-04T14:35:46.910938Z",
"structure_string": "Na2 Be1 P1\n1.0\n5.050776 0.000000 0.000000\n-0.000000 5.050776 0.000000\n-0.000000 0.000000 2.925039\nNa Be P\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"P"
],
"chemical_system": "Be-Na-P",
"density": 1.9130456152400184,
"density_atomic": 0.05360584102446746,
"volume": 74.61873414455468,
"volume_molar": 11.234113008788162,
"formula_full": "Na2 Be1 P1",
"formula_reduced": "Na2BeP",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9295149,
"spacegroup": 123
},
{
"id": "jvasp-96988",
"created_at": "2022-09-04T14:35:46.911432Z",
"updated_at": "2022-09-04T14:35:46.911459Z",
"structure_string": "Mn4 Tl4 I12\n1.0\n4.276829 -0.000000 0.000000\n-0.000000 10.092009 0.000000\n0.000000 0.000000 16.126700\nMn Tl I\n4 4 12\ndirect\n0.250000 0.662414 0.556100 Mn\n0.750000 0.337586 0.443900 Mn\n0.250000 0.162414 0.943900 Mn\n0.750000 0.837586 0.056100 Mn\n0.750000 0.052971 0.674613 Tl\n0.250000 0.947029 0.325387 Tl\n0.250000 0.447029 0.174613 Tl\n0.750000 0.552971 0.825387 Tl\n0.750000 0.719771 0.212676 I\n0.750000 0.477221 0.604581 I\n0.750000 0.219771 0.287324 I\n0.250000 0.780229 0.712676 I\n0.750000 0.830061 0.493248 I\n0.250000 0.169939 0.506752 I\n0.750000 0.330061 0.006752 I\n0.250000 0.669939 0.993248 I\n0.250000 0.022779 0.104581 I\n0.750000 0.977221 0.895419 I\n0.250000 0.522779 0.395419 I\n0.250000 0.280229 0.787324 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Tl",
"I"
],
"chemical_system": "I-Mn-Tl",
"density": 6.107558338502973,
"density_atomic": 0.028733264670203117,
"volume": 696.0573478007997,
"volume_molar": 20.958776627443463,
"formula_full": "Mn4 Tl4 I12",
"formula_reduced": "MnTlI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4589277332758621,
"spacegroup": 62
},
{
"id": "jvasp-75025",
"created_at": "2022-09-04T14:35:46.912808Z",
"updated_at": "2022-09-04T14:35:46.912836Z",
"structure_string": "Be2 Cd1 Fe1\n1.0\n2.761266 -0.000000 -0.000000\n0.000000 2.761266 -0.000000\n-0.000000 0.000000 6.296912\nBe Cd Fe\n2 1 1\ndirect\n0.000000 0.000000 0.017473 Be\n0.500001 0.500001 0.185693 Be\n0.000000 0.000000 0.484572 Cd\n0.500001 0.500001 0.812262 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Fe"
],
"chemical_system": "Be-Cd-Fe",
"density": 6.44276158535792,
"density_atomic": 0.0833135953364453,
"volume": 48.011371779681326,
"volume_molar": 7.228280973448316,
"formula_full": "Be2 Cd1 Fe1",
"formula_reduced": "Be2CdFe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3576243625,
"spacegroup": 99
},
{
"id": "jvasp-37031",
"created_at": "2022-09-04T14:35:46.912995Z",
"updated_at": "2022-09-04T14:35:46.913023Z",
"structure_string": "Ti1 Fe2 Sb1\n1.0\n3.021060 3.021060 -0.000000\n3.021060 0.000000 -3.021060\n0.000000 3.021060 -3.021060\nTi Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Sb"
],
"chemical_system": "Fe-Sb-Ti",
"density": 8.471045746805546,
"density_atomic": 0.07253572288811783,
"volume": 55.145242106014024,
"volume_molar": 8.302310255167383,
"formula_full": "Ti1 Fe2 Sb1",
"formula_reduced": "TiFe2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0127813583333327,
"spacegroup": 225
},
{
"id": "jvasp-98615",
"created_at": "2022-09-04T14:35:46.913743Z",
"updated_at": "2022-09-04T14:35:46.913756Z",
"structure_string": "Ca6 La6 B10 O30\n1.0\n10.549237 0.000000 -0.000000\n-5.274619 9.135907 0.000000\n-0.000000 0.000000 6.395150\nCa La B O\n6 6 10 30\ndirect\n0.526812 0.473188 0.261793 Ca\n0.053624 0.526812 0.761793 Ca\n0.473188 0.946377 0.761793 Ca\n0.526812 0.053624 0.261793 Ca\n0.946377 0.473188 0.261793 Ca\n0.473188 0.526812 0.761793 Ca\n0.843715 0.156285 0.580823 La\n0.156285 0.312571 0.080823 La\n0.843715 0.687430 0.580823 La\n0.312571 0.156285 0.580823 La\n0.156285 0.843715 0.080823 La\n0.687430 0.843715 0.080823 La\n0.000000 0.000000 0.748216 B\n0.199063 0.800937 0.547159 B\n0.333333 0.666667 0.098751 B\n0.666667 0.333333 0.598751 B\n0.000000 0.000000 0.248216 B\n0.800937 0.199063 0.047159 B\n0.601874 0.800937 0.547159 B\n0.199063 0.398126 0.547159 B\n0.800937 0.601874 0.047159 B\n0.398126 0.199063 0.047159 B\n0.075637 0.924363 0.741159 O\n0.151274 0.075637 0.241159 O\n0.924363 0.848727 0.241159 O\n0.075637 0.151274 0.741159 O\n0.590153 0.180306 0.597965 O\n0.924363 0.075637 0.241159 O\n0.180306 0.590153 0.097965 O\n0.373448 0.301548 0.945518 O\n0.848727 0.924363 0.741159 O\n0.409847 0.819694 0.097965 O\n0.698452 0.071900 0.945518 O\n0.071900 0.373448 0.445518 O\n0.819694 0.409847 0.597965 O\n0.409847 0.590153 0.097965 O\n0.227026 0.772974 0.745442 O\n0.454053 0.227026 0.245442 O\n0.772974 0.545948 0.245442 O\n0.772974 0.227026 0.245442 O\n0.227026 0.454053 0.745442 O\n0.928100 0.626552 0.945518 O\n0.545948 0.772974 0.745442 O\n0.698452 0.626552 0.945518 O\n0.928100 0.301548 0.945518 O\n0.590153 0.409847 0.597965 O\n0.301548 0.373448 0.445518 O\n0.373448 0.071900 0.945518 O\n0.301548 0.928100 0.445518 O\n0.626552 0.698452 0.445518 O\n0.626552 0.928100 0.445518 O\n0.071900 0.698452 0.445518 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ca",
"La",
"B",
"O"
],
"chemical_system": "B-Ca-La-O",
"density": 4.477697864919029,
"density_atomic": 0.0843684147381485,
"volume": 616.3444004653958,
"volume_molar": 7.137909108154659,
"formula_full": "Ca6 La6 B10 O30",
"formula_reduced": "Ca3La3(BO3)5",
"formula_anonymous": "A3B3C5D15",
"energy_above_hull": 2.9698385260256406,
"spacegroup": 186
},
{
"id": "jvasp-63535",
"created_at": "2022-09-04T14:35:46.913862Z",
"updated_at": "2022-09-04T14:35:46.913893Z",
"structure_string": "Nb4 Ni4 B8\n1.0\n3.129298 0.000000 0.000000\n-0.000000 6.085983 0.000000\n0.000000 0.000000 8.245786\nNb Ni B\n4 4 8\ndirect\n0.250000 0.130512 0.132920 Nb\n0.750000 0.369488 0.632921 Nb\n0.750000 0.869488 0.867080 Nb\n0.250000 0.630511 0.367080 Nb\n0.250000 0.003495 0.615961 Ni\n0.750000 0.496505 0.115960 Ni\n0.750000 -0.003495 0.384040 Ni\n0.250000 0.503495 0.884040 Ni\n0.250000 0.240737 0.422820 B\n0.750000 0.259263 0.922820 B\n0.750000 0.759262 0.577181 B\n0.250000 0.740737 0.077180 B\n0.250000 0.175792 0.833313 B\n0.750000 0.324208 0.333313 B\n0.750000 0.824208 0.166687 B\n0.250000 0.675792 0.666687 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"B"
],
"chemical_system": "B-Nb-Ni",
"density": 7.3265896622439755,
"density_atomic": 0.10188500372653281,
"volume": 157.03979403038775,
"volume_molar": 5.910723403577517,
"formula_full": "Nb4 Ni4 B8",
"formula_reduced": "NbNiB2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.720001741666667,
"spacegroup": 62
},
{
"id": "jvasp-66167",
"created_at": "2022-09-04T14:35:46.916168Z",
"updated_at": "2022-09-04T14:35:46.916191Z",
"structure_string": "Ba4 Fe1 Hg1\n1.0\n-0.000000 4.908238 4.908238\n4.908238 0.000000 4.908238\n4.908238 4.908238 0.000000\nBa Fe Hg\n4 1 1\ndirect\n0.125954 0.624682 0.624682 Ba\n0.624682 0.624682 0.624682 Ba\n0.624682 0.125954 0.624682 Ba\n0.624682 0.624682 0.125954 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Hg"
],
"chemical_system": "Ba-Fe-Hg",
"density": 5.657685505623503,
"density_atomic": 0.025371398946649873,
"volume": 236.48676261867146,
"volume_molar": 23.73594287277243,
"formula_full": "Ba4 Fe1 Hg1",
"formula_reduced": "Ba4FeHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.45998066875,
"spacegroup": 216
},
{
"id": "jvasp-86434",
"created_at": "2022-09-04T14:35:46.919049Z",
"updated_at": "2022-09-04T14:35:46.919074Z",
"structure_string": "Li2 Nb2 O4\n1.0\n2.934338 -0.000000 0.000000\n-1.467169 2.541211 0.000000\n-0.000000 0.000000 10.498794\nLi Nb O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.750000 Nb\n0.666667 0.333333 0.250000 Nb\n0.333333 0.666667 0.121812 O\n0.333333 0.666667 0.378188 O\n0.666667 0.333333 0.621812 O\n0.666667 0.333333 0.878188 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 5.59314870131185,
"density_atomic": 0.10218795503229956,
"volume": 78.287113167803,
"volume_molar": 5.893200189881989,
"formula_full": "Li2 Nb2 O4",
"formula_reduced": "LiNbO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1098266,
"spacegroup": 194
}
]
}