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=spacegroup&page=1252",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1250",
"results": [
{
"id": "jvasp-91811",
"created_at": "2022-09-04T14:35:43.810989Z",
"updated_at": "2022-09-04T14:35:43.811015Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 2.632958 0.000000\n0.656415 0.000000 5.171912\n5.213145 0.000000 -0.042895\nTi Fe H\n2 2 4\ndirect\n0.000000 0.722549 0.777471 Ti\n0.000000 0.277451 0.222529 Ti\n0.000000 0.232508 0.732491 Fe\n0.000000 0.767493 0.267509 Fe\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Ti",
"density": 4.941063643289571,
"density_atomic": 0.1125749642357009,
"volume": 71.06375786405056,
"volume_molar": 5.349449409898368,
"formula_full": "Ti2 Fe2 H4",
"formula_reduced": "TiFeH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.129623458333333,
"spacegroup": 65
},
{
"id": "jvasp-43324",
"created_at": "2022-09-04T14:35:44.899156Z",
"updated_at": "2022-09-04T14:35:44.899184Z",
"structure_string": "Mn2 O2 F2\n1.0\n4.745501 -0.092211 0.000000\n-0.600459 4.708261 0.000000\n0.000000 0.000000 3.006749\nMn O F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.302435 0.302435 0.000000 O\n0.697565 0.697565 0.000000 O\n0.192461 0.807538 0.500000 F\n0.807538 0.192462 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.45707278542067,
"density_atomic": 0.08953421879433925,
"volume": 67.0134846854703,
"volume_molar": 6.726077293233441,
"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.22271700795977,
"spacegroup": 65
},
{
"id": "jvasp-88462",
"created_at": "2022-09-04T14:35:45.043300Z",
"updated_at": "2022-09-04T14:35:45.043327Z",
"structure_string": "Na2 U1 O4\n1.0\n3.498952 0.000000 0.000000\n0.000000 5.340354 -2.566871\n0.000000 0.359630 5.914295\nNa U O\n2 1 4\ndirect\n0.500000 0.000003 0.500000 Na\n0.500000 0.499999 0.999997 Na\n0.000000 0.999999 0.000000 U\n0.500000 0.196955 0.196956 O\n0.000000 0.800181 0.199819 O\n0.500000 0.803043 0.803044 O\n0.000000 0.199818 0.800181 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"U",
"O"
],
"chemical_system": "Na-O-U",
"density": 5.080583913126989,
"density_atomic": 0.061542591352973026,
"volume": 113.74236680824849,
"volume_molar": 9.785322047068918,
"formula_full": "Na2 U1 O4",
"formula_reduced": "Na2UO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.9198068571428568,
"spacegroup": 65
},
{
"id": "jvasp-91848",
"created_at": "2022-09-04T14:35:45.008345Z",
"updated_at": "2022-09-04T14:35:45.008369Z",
"structure_string": "La1 Fe5 H2\n1.0\n4.110215 0.000000 0.000000\n0.000000 4.492237 -2.577783\n0.000000 -0.008387 5.188529\nLa Fe H\n1 5 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 -0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.000000 0.337870 0.675741 Fe\n0.000000 0.662130 0.324260 Fe\n0.500001 0.500000 0.000000 Fe\n0.500001 0.865421 0.730843 H\n0.500001 0.134579 0.269158 H\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Fe",
"H"
],
"chemical_system": "Fe-H-La",
"density": 7.289223531128212,
"density_atomic": 0.08358369439739861,
"volume": 95.71244795622464,
"volume_molar": 7.204922925956989,
"formula_full": "La1 Fe5 H2",
"formula_reduced": "LaFe5H2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.5171665625,
"spacegroup": 65
},
{
"id": "jvasp-71200",
"created_at": "2022-09-04T14:35:45.024462Z",
"updated_at": "2022-09-04T14:35:45.024487Z",
"structure_string": "K1 Be2 Ge1\n1.0\n3.121159 -4.900913 0.000000\n3.121159 4.900913 0.000000\n0.000000 0.000000 2.580382\nK Be Ge\n1 2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-K",
"density": 2.7295557223664924,
"density_atomic": 0.05067025682529156,
"volume": 78.94177473368241,
"volume_molar": 11.884961982261174,
"formula_full": "K1 Be2 Ge1",
"formula_reduced": "KBe2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1401215375,
"spacegroup": 65
},
{
"id": "jvasp-94968",
"created_at": "2022-09-04T14:35:45.194495Z",
"updated_at": "2022-09-04T14:35:45.194522Z",
"structure_string": "Ba1 Ho2 O4\n1.0\n3.183858 0.000000 0.000000\n0.000000 7.460319 1.869229\n0.000000 2.410042 6.176206\nBa Ho O\n1 2 4\ndirect\n0.250000 0.836657 0.735584 Ba\n0.750000 0.469229 0.469588 Ho\n0.750000 0.204086 0.001573 Ho\n0.250000 0.171576 0.736104 O\n0.250000 0.501742 0.735050 O\n0.250000 0.073615 0.263023 O\n0.250000 0.599692 0.208136 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ho",
"O"
],
"chemical_system": "Ba-Ho-O",
"density": 6.664157070472205,
"density_atomic": 0.05288690694286093,
"volume": 132.35790112594043,
"volume_molar": 11.386827303979652,
"formula_full": "Ba1 Ho2 O4",
"formula_reduced": "BaHo2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5710387290476184,
"spacegroup": 65
},
{
"id": "jvasp-92554",
"created_at": "2022-09-04T14:35:45.364668Z",
"updated_at": "2022-09-04T14:35:45.364697Z",
"structure_string": "Hg1 N2 Cl2\n1.0\n0.000000 0.000000 -3.817756\n-3.645836 -4.104314 0.000000\n-3.645836 4.104314 0.000000\nHg N Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.306273 0.693729 N\n0.000000 0.693729 0.306273 N\n0.500001 0.752902 0.752902 Cl\n0.500001 0.247099 0.247099 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Hg-N",
"density": 4.352950039079123,
"density_atomic": 0.04376169473419031,
"volume": 114.25517293994513,
"volume_molar": 13.761214680049852,
"formula_full": "Hg1 N2 Cl2",
"formula_reduced": "Hg(NCl)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.239279847,
"spacegroup": 65
},
{
"id": "jvasp-86403",
"created_at": "2022-09-04T14:35:45.711918Z",
"updated_at": "2022-09-04T14:35:45.711948Z",
"structure_string": "Sr2 Cu4 O6\n1.0\n3.507767 0.000000 0.000000\n0.000000 3.976190 0.000000\n0.000000 0.000000 11.589070\nSr Cu O\n2 4 6\ndirect\n0.499354 0.750000 0.750000 Sr\n0.500646 0.250000 0.250000 Sr\n0.000490 0.750000 0.084816 Cu\n-0.000490 0.250000 0.915184 Cu\n0.000490 0.750000 0.415184 Cu\n-0.000490 0.250000 0.584816 Cu\n0.999124 0.250000 0.750000 O\n0.000877 0.750000 0.250000 O\n0.999540 0.750000 0.579896 O\n0.999540 0.750000 0.920104 O\n0.000461 0.250000 0.079896 O\n0.000461 0.250000 0.420104 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.397710342565435,
"density_atomic": 0.07423945810068319,
"volume": 161.6391108852877,
"volume_molar": 8.11177898393709,
"formula_full": "Sr2 Cu4 O6",
"formula_reduced": "SrCu2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.823121285,
"spacegroup": 65
},
{
"id": "jvasp-106158",
"created_at": "2022-09-04T14:35:49.134619Z",
"updated_at": "2022-09-04T14:35:49.134644Z",
"structure_string": "Na2 Fe2 N2\n1.0\n3.460708 0.001032 -0.001199\n-0.001253 4.993698 0.779518\n0.001719 -0.002982 5.054172\nNa Fe N\n2 2 2\ndirect\n0.500032 0.286009 0.286009 Na\n0.499969 0.713992 0.713991 Na\n0.000000 0.171657 0.828343 Fe\n0.000001 0.828344 0.171657 Fe\n0.500001 0.787373 0.212627 N\n0.500001 0.212627 0.787373 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Fe",
"N"
],
"chemical_system": "Fe-N-Na",
"density": 3.529748496849887,
"density_atomic": 0.06868689972581059,
"volume": 87.35290170252611,
"volume_molar": 8.767524497450932,
"formula_full": "Na2 Fe2 N2",
"formula_reduced": "NaFeN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3127059166666664,
"spacegroup": 65
},
{
"id": "jvasp-98474",
"created_at": "2022-09-04T14:35:46.224622Z",
"updated_at": "2022-09-04T14:35:46.224647Z",
"structure_string": "Li1 La4 Ni1 O8\n1.0\n4.914294 0.000000 -2.024847\n0.000000 5.315423 0.000000\n0.001006 0.000000 6.978349\nLi La Ni O\n1 4 1 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.364106 0.500000 0.728212 La\n0.635894 0.500000 0.271788 La\n0.137176 0.000000 0.274353 La\n0.862824 0.000000 0.725647 La\n0.000000 0.500000 0.000000 Ni\n0.176523 0.500000 0.353046 O\n0.320248 0.000000 0.640496 O\n0.679752 0.000000 0.359504 O\n0.823477 0.500000 0.646954 O\n0.753029 0.744633 -0.000000 O\n0.246970 0.255367 -0.000000 O\n0.246970 0.744633 -0.000000 O\n0.753029 0.255367 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"La",
"Ni",
"O"
],
"chemical_system": "La-Li-Ni-O",
"density": 6.824946630236045,
"density_atomic": 0.07679811993345916,
"volume": 182.29612928194257,
"volume_molar": 7.841521075278685,
"formula_full": "Li1 La4 Ni1 O8",
"formula_reduced": "LiLa4NiO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.2984507428571432,
"spacegroup": 65
},
{
"id": "jvasp-86340",
"created_at": "2022-09-04T14:35:46.225212Z",
"updated_at": "2022-09-04T14:35:46.225240Z",
"structure_string": "U2 Ge4\n1.0\n3.906013 0.000000 -1.056047\n0.000000 4.180509 0.000000\n-0.044865 0.000000 7.585687\nU Ge\n2 4\ndirect\n0.144814 0.500000 0.289629 U\n0.855184 0.500000 0.710371 U\n0.500000 0.500000 -0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.687284 0.000000 0.374571 Ge\n0.312714 0.000000 0.625429 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Ge"
],
"chemical_system": "Ge-U",
"density": 10.293551850610946,
"density_atomic": 0.04851639231618156,
"volume": 123.66954164476971,
"volume_molar": 12.412589791824752,
"formula_full": "U2 Ge4",
"formula_reduced": "UGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.1555559666666664,
"spacegroup": 65
},
{
"id": "jvasp-69896",
"created_at": "2022-09-04T14:35:46.282610Z",
"updated_at": "2022-09-04T14:35:46.282635Z",
"structure_string": "Be2 Fe1 Br1\n1.0\n2.433746 -3.539460 0.000000\n2.433746 3.539460 0.000000\n0.000000 0.000000 2.941023\nBe Fe Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Br"
],
"chemical_system": "Be-Br-Fe",
"density": 5.039524219976682,
"density_atomic": 0.07894403409583121,
"volume": 50.66880665287952,
"volume_molar": 7.628367145121623,
"formula_full": "Be2 Fe1 Br1",
"formula_reduced": "Be2FeBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.92894545125,
"spacegroup": 65
}
]
}