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=1033",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=1031",
"results": [
{
"id": "jvasp-85635",
"created_at": "2022-09-04T14:36:15.073468Z",
"updated_at": "2022-09-04T14:36:15.073494Z",
"structure_string": "Fe13 Co3\n1.0\n5.677656 -0.000003 0.000001\n-0.000003 5.677658 0.000000\n0.000001 0.000000 5.671954\nFe Co\n13 3\ndirect\n0.000000 0.500000 0.500000 Fe\n0.249733 0.750269 0.750479 Fe\n0.750268 0.249732 0.249519 Fe\n0.750268 0.249732 0.750479 Fe\n0.750269 0.750269 0.750479 Fe\n0.500001 0.500000 0.500001 Fe\n0.249732 0.750269 0.249521 Fe\n0.249732 0.249732 0.750479 Fe\n0.249733 0.249733 0.249520 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000001 Fe\n0.750269 0.750269 0.249519 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500001 0.500000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.199025323874151,
"density_atomic": 0.08750824581212875,
"volume": 182.8399124163723,
"volume_molar": 6.881798056984161,
"formula_full": "Fe13 Co3",
"formula_reduced": "Fe13Co3",
"formula_anonymous": "A3B13",
"energy_above_hull": 4.2495221375,
"spacegroup": 123
},
{
"id": "jvasp-12013",
"created_at": "2022-09-04T14:36:15.073798Z",
"updated_at": "2022-09-04T14:36:15.073828Z",
"structure_string": "Cr2 Ge2 Te6\n1.0\n6.219927 -0.021441 4.944780\n2.373582 5.749265 4.944781\n-0.032169 -0.021443 7.945899\nCr Ge Te\n2 2 6\ndirect\n0.334418 0.334419 0.334418 Cr\n0.665581 0.665583 0.665581 Cr\n0.058848 0.058848 0.058848 Ge\n0.941152 0.941154 0.941152 Ge\n0.919479 0.542220 0.287849 Te\n0.287849 0.919481 0.542219 Te\n0.542219 0.287850 0.919479 Te\n0.080520 0.457782 0.712151 Te\n0.712151 0.080521 0.457781 Te\n0.457781 0.712152 0.080520 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Ge",
"Te"
],
"chemical_system": "Cr-Ge-Te",
"density": 5.894994601058953,
"density_atomic": 0.03498025394654152,
"volume": 285.8755689790724,
"volume_molar": 17.215829162370635,
"formula_full": "Cr2 Ge2 Te6",
"formula_reduced": "CrGeTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7476113299999998,
"spacegroup": 148
},
{
"id": "jvasp-91269",
"created_at": "2022-09-04T14:36:15.075311Z",
"updated_at": "2022-09-04T14:36:15.075341Z",
"structure_string": "Er4 Mn4 O12\n1.0\n5.229926 0.000000 0.000000\n-0.000000 5.644356 0.000000\n0.000000 0.000000 7.520106\nEr Mn O\n4 4 12\ndirect\n0.979401 0.077183 0.250000 Er\n0.520600 0.577183 0.250000 Er\n0.020599 0.922818 0.750000 Er\n0.479401 0.422818 0.750000 Er\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.884646 0.539036 0.750000 O\n0.384645 0.960965 0.250000 O\n0.693945 0.311329 0.442452 O\n0.693945 0.311329 0.057549 O\n0.193945 0.188672 0.942452 O\n0.806056 0.811329 0.442452 O\n0.306055 0.688672 0.557549 O\n0.306055 0.688672 0.942452 O\n0.806056 0.811329 0.057549 O\n0.193945 0.188672 0.557549 O\n0.115355 0.460965 0.250000 O\n0.615355 0.039036 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Mn",
"O"
],
"chemical_system": "Er-Mn-O",
"density": 8.084494813854766,
"density_atomic": 0.09009404617640149,
"volume": 221.99025184017808,
"volume_molar": 6.6842827196470065,
"formula_full": "Er4 Mn4 O12",
"formula_reduced": "ErMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1555935482758617,
"spacegroup": 62
},
{
"id": "jvasp-65592",
"created_at": "2022-09-04T14:36:15.076474Z",
"updated_at": "2022-09-04T14:36:15.076493Z",
"structure_string": "Ba2 Ga1 Pb1\n1.0\n-0.000000 4.198947 4.198947\n4.198947 0.000000 4.198947\n4.198947 4.198947 -0.000000\nBa Ga Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pb"
],
"chemical_system": "Ba-Ga-Pb",
"density": 6.185916756822807,
"density_atomic": 0.027015239179373537,
"volume": 148.0645784196517,
"volume_molar": 22.29164332033002,
"formula_full": "Ba2 Ga1 Pb1",
"formula_reduced": "Ba2GaPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-74384",
"created_at": "2022-09-04T14:36:15.079271Z",
"updated_at": "2022-09-04T14:36:15.079297Z",
"structure_string": "K2 Be1 Tl1\n1.0\n-2.747954 2.747954 3.881617\n2.747954 -2.747954 3.881617\n2.747954 2.747954 -3.881617\nK Be Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.749999 0.499999 K\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Be",
"Tl"
],
"chemical_system": "Be-K-Tl",
"density": 4.1298400798494646,
"density_atomic": 0.0341168088175149,
"volume": 117.24425990119211,
"volume_molar": 17.651535910675065,
"formula_full": "K2 Be1 Tl1",
"formula_reduced": "K2BeTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-99802",
"created_at": "2022-09-04T14:36:15.081534Z",
"updated_at": "2022-09-04T14:36:15.081561Z",
"structure_string": "Li6 Y2\n1.0\n6.505129 0.000000 0.000000\n-3.252564 5.633606 -0.000000\n-0.000000 -0.000000 5.004424\nLi Y\n6 2\ndirect\n0.152286 0.304572 0.250000 Li\n0.695429 0.847715 0.250000 Li\n0.152286 0.847715 0.250000 Li\n0.847716 0.695429 0.749999 Li\n0.304572 0.152285 0.749999 Li\n0.847715 0.152285 0.749999 Li\n0.333334 0.666667 0.749999 Y\n0.666667 0.333333 0.250000 Y\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Y"
],
"chemical_system": "Li-Y",
"density": 1.987025493141559,
"density_atomic": 0.043620787851297554,
"volume": 183.39879663044715,
"volume_molar": 13.805667106539582,
"formula_full": "Li6 Y2",
"formula_reduced": "Li3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2952663625,
"spacegroup": 194
},
{
"id": "jvasp-66232",
"created_at": "2022-09-04T14:36:15.082816Z",
"updated_at": "2022-09-04T14:36:15.082844Z",
"structure_string": "Ba1 Li1 Sb1\n1.0\n0.000000 3.891088 3.891088\n3.891088 0.000000 3.891088\n3.891088 3.891088 0.000000\nBa Li Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Sb"
],
"chemical_system": "Ba-Li-Sb",
"density": 3.7491541115555296,
"density_atomic": 0.025461154989537858,
"volume": 117.82654797996078,
"volume_molar": 23.652268573340585,
"formula_full": "Ba1 Li1 Sb1",
"formula_reduced": "BaLiSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.49045069,
"spacegroup": 216
},
{
"id": "jvasp-98867",
"created_at": "2022-09-04T14:36:15.083782Z",
"updated_at": "2022-09-04T14:36:15.083810Z",
"structure_string": "Ce6 Al4 I4\n1.0\n4.140610 0.000062 0.806313\n1.490585 9.289071 3.378778\n0.027669 0.065459 10.895128\nCe Al I\n6 4 4\ndirect\n0.191383 0.040342 0.573240 Ce\n0.464988 0.373576 0.692773 Ce\n0.246360 0.316643 0.187003 Ce\n0.747912 0.684624 0.815884 Ce\n0.529843 0.626972 0.309708 Ce\n0.803322 0.961339 0.428389 Ce\n0.924229 0.614992 0.532892 Al\n0.070974 0.387040 0.467362 Al\n0.657775 0.280960 0.399873 Al\n0.337425 0.720308 0.601167 Al\n0.861658 0.330998 0.942038 I\n0.581137 0.020719 0.813345 I\n0.132478 0.669525 0.061861 I\n0.413520 0.980310 0.189030 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Al",
"I"
],
"chemical_system": "Al-Ce-I",
"density": 5.7849264560514895,
"density_atomic": 0.03349221064601219,
"volume": 418.0076420744397,
"volume_molar": 17.980720423771242,
"formula_full": "Ce6 Al4 I4",
"formula_reduced": "Ce3(AlI)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.402432092857143,
"spacegroup": 12
},
{
"id": "jvasp-66161",
"created_at": "2022-09-04T14:36:15.084134Z",
"updated_at": "2022-09-04T14:36:15.084158Z",
"structure_string": "Ba4 Re1 Pt1\n1.0\n-0.000000 4.682034 4.682034\n4.682034 -0.000000 4.682034\n4.682034 4.682034 0.000000\nBa Re Pt\n4 1 1\ndirect\n0.125577 0.624807 0.624807 Ba\n0.624807 0.624807 0.624807 Ba\n0.624807 0.125577 0.624807 Ba\n0.624807 0.624807 0.125577 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Re",
"Pt"
],
"chemical_system": "Ba-Pt-Re",
"density": 7.5279719798610305,
"density_atomic": 0.02922924283116078,
"volume": 205.2738770777704,
"volume_molar": 20.60313636855452,
"formula_full": "Ba4 Re1 Pt1",
"formula_reduced": "Ba4RePt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.797022213333333,
"spacegroup": 216
},
{
"id": "jvasp-92269",
"created_at": "2022-09-04T14:36:15.094836Z",
"updated_at": "2022-09-04T14:36:15.094859Z",
"structure_string": "Ca2 Co1 N2\n1.0\n3.348077 -0.961334 -0.658519\n-2.506578 4.341520 -0.000000\n-0.715545 -0.413120 6.508326\nCa Co N\n2 1 2\ndirect\n0.697246 0.348623 0.197197 Ca\n0.302757 0.651378 0.802804 Ca\n0.000001 0.000000 0.500000 Co\n0.289839 0.144919 0.789889 N\n0.710164 0.855083 0.210112 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Co",
"N"
],
"chemical_system": "Ca-Co-N",
"density": 3.6418152002005058,
"density_atomic": 0.06562292992844931,
"volume": 76.19287961466598,
"volume_molar": 9.176884918985063,
"formula_full": "Ca2 Co1 N2",
"formula_reduced": "Ca2CoN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.5428716479999998,
"spacegroup": 139
},
{
"id": "jvasp-42830",
"created_at": "2022-09-04T14:36:15.101213Z",
"updated_at": "2022-09-04T14:36:15.101239Z",
"structure_string": "Mn4 O2 F6\n1.0\n4.772418 -0.114871 0.000000\n-0.114871 4.772418 0.000000\n0.000000 0.000000 6.312845\nMn O F\n4 2 6\ndirect\n0.962793 0.962793 0.000000 Mn\n0.037207 0.037207 0.500000 Mn\n0.500000 0.500000 0.250000 Mn\n0.500000 0.500000 0.750001 Mn\n0.329928 0.329928 0.500000 O\n0.670072 0.670072 0.000000 O\n0.202009 0.797992 0.250000 F\n0.202009 0.797992 0.750001 F\n0.276217 0.276217 0.000000 F\n0.723783 0.723783 0.500000 F\n0.797992 0.202009 0.250000 F\n0.797992 0.202009 0.750001 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.226421687897985,
"density_atomic": 0.08350853268491841,
"volume": 143.69789067275988,
"volume_molar": 7.21140770455376,
"formula_full": "Mn4 O2 F6",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.553478138376437,
"spacegroup": 63
},
{
"id": "jvasp-69075",
"created_at": "2022-09-04T14:36:15.102193Z",
"updated_at": "2022-09-04T14:36:15.102207Z",
"structure_string": "Ba1 Mo1 Br2\n1.0\n5.226983 0.000000 0.000000\n0.000000 5.226983 -0.000000\n0.000000 0.000000 4.233992\nBa Mo Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 5.642509672416649,
"density_atomic": 0.03457863003111091,
"volume": 115.67838275840136,
"volume_molar": 17.415787596506252,
"formula_full": "Ba1 Mo1 Br2",
"formula_reduced": "BaMoBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3364800200000002,
"spacegroup": 123
}
]
}