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=3382",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3380",
"results": [
{
"id": "jvasp-92522",
"created_at": "2022-09-04T14:36:04.573446Z",
"updated_at": "2022-09-04T14:36:04.573473Z",
"structure_string": "Ho2 In1 Ni2\n1.0\n0.000000 0.000000 -3.625700\n-3.887830 -0.000000 0.000000\n1.943916 7.095792 0.000000\nHo In Ni\n2 1 2\ndirect\n0.500000 0.638578 0.277159 Ho\n0.500000 0.361420 0.722841 Ho\n0.000000 0.000000 0.000000 In\n0.000000 0.801737 0.603477 Ni\n0.000000 0.198261 0.396522 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"In",
"Ni"
],
"chemical_system": "Ho-In-Ni",
"density": 9.331167175205652,
"density_atomic": 0.049988487286817825,
"volume": 100.02303072928797,
"volume_molar": 12.047055405871552,
"formula_full": "Ho2 In1 Ni2",
"formula_reduced": "Ho2InNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8140311806666668,
"spacegroup": 65
},
{
"id": "jvasp-94813",
"created_at": "2022-09-04T14:36:04.947155Z",
"updated_at": "2022-09-04T14:36:04.947179Z",
"structure_string": "Ga3 Pt5\n1.0\n3.999857 0.000000 0.000000\n0.000000 5.532313 -0.383287\n0.000000 0.039889 5.545431\nGa Pt\n3 5\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.287823 0.712177 Ga\n0.500000 0.712177 0.287822 Ga\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 -0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.205241 0.205241 Pt\n0.500000 0.794758 0.794758 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt",
"density": 16.021895761135045,
"density_atomic": 0.06516090326615974,
"volume": 122.77300649628457,
"volume_molar": 9.241954083112752,
"formula_full": "Ga3 Pt5",
"formula_reduced": "Ga3Pt5",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.653996746875,
"spacegroup": 65
},
{
"id": "jvasp-91623",
"created_at": "2022-09-04T14:36:04.874974Z",
"updated_at": "2022-09-04T14:36:04.874995Z",
"structure_string": "C8\n1.0\n0.000000 0.000000 -2.513367\n-0.000000 -4.254756 0.000000\n-4.384206 2.127378 0.000000\nC\n8\ndirect\n0.000000 0.981320 0.333045 C\n0.000000 0.018681 0.666956 C\n0.000000 0.351726 0.333045 C\n0.000000 0.648275 0.666956 C\n0.500001 0.226171 0.821593 C\n0.500001 0.773830 0.178408 C\n0.500001 0.595422 0.821593 C\n0.500001 0.404579 0.178408 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4031875503661344,
"density_atomic": 0.170635137569558,
"volume": 46.8836613252582,
"volume_molar": 3.529250098060913,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.2387399999999999,
"spacegroup": 65
},
{
"id": "jvasp-70893",
"created_at": "2022-09-04T14:36:05.314558Z",
"updated_at": "2022-09-04T14:36:05.314584Z",
"structure_string": "Be2 Ir1 Br1\n1.0\n2.777252 -3.301345 0.000000\n2.777252 3.301345 0.000000\n0.000000 0.000000 2.919819\nBe Ir Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n-0.000001 0.500000 0.500000 Ir\n0.500000 -0.000001 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ir",
"Br"
],
"chemical_system": "Be-Br-Ir",
"density": 8.998551515910988,
"density_atomic": 0.07470812993400708,
"volume": 53.54169624555417,
"volume_molar": 8.06089078299727,
"formula_full": "Be2 Ir1 Br1",
"formula_reduced": "Be2IrBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.14683685125,
"spacegroup": 65
},
{
"id": "jvasp-62768",
"created_at": "2022-09-04T14:36:05.601050Z",
"updated_at": "2022-09-04T14:36:05.601078Z",
"structure_string": "Ho2 B2 C2\n1.0\n1.686568 -8.185691 0.000000\n1.686568 8.185691 0.000000\n0.000000 0.000000 3.494510\nHo B C\n2 2 2\ndirect\n0.140163 0.859839 0.000000 Ho\n0.859839 0.140163 0.000000 Ho\n0.719294 0.280707 0.500000 B\n0.280707 0.719294 0.500000 B\n0.628562 0.371439 0.500000 C\n0.371439 0.628562 0.500000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"B",
"C"
],
"chemical_system": "B-C-Ho",
"density": 6.462316518376322,
"density_atomic": 0.062183586183707965,
"volume": 96.4884846344226,
"volume_molar": 9.684453936459834,
"formula_full": "Ho2 B2 C2",
"formula_reduced": "HoBC",
"formula_anonymous": "ABC",
"energy_above_hull": 3.486062716666666,
"spacegroup": 65
},
{
"id": "jvasp-86735",
"created_at": "2022-09-04T14:36:06.131351Z",
"updated_at": "2022-09-04T14:36:06.131378Z",
"structure_string": "Tb2 B2 C3\n1.0\n3.287461 0.000000 -0.818806\n0.000000 3.708363 0.000000\n-0.042094 0.000000 6.839889\nTb B C\n2 2 3\ndirect\n0.863692 0.000000 0.727383 Tb\n0.136308 0.000000 0.272617 Tb\n0.716779 0.500000 0.433557 B\n0.283222 0.500000 0.566443 B\n0.399418 0.500000 0.798833 C\n0.500000 0.500000 -0.000000 C\n0.600583 0.500000 0.201167 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tb",
"B",
"C"
],
"chemical_system": "B-C-Tb",
"density": 7.489259765209952,
"density_atomic": 0.08407605856681317,
"volume": 83.2579466654859,
"volume_molar": 7.162729631544696,
"formula_full": "Tb2 B2 C3",
"formula_reduced": "Tb2B2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 4.817214566666667,
"spacegroup": 65
},
{
"id": "jvasp-71146",
"created_at": "2022-09-04T14:36:07.030821Z",
"updated_at": "2022-09-04T14:36:07.030856Z",
"structure_string": "Be2 Hg1 Bi1\n1.0\n3.100337 -3.686303 0.000000\n3.100337 3.686303 0.000000\n0.000000 0.000000 3.340802\nBe Hg Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.000001 0.500000 0.500000 Hg\n0.500000 0.000001 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Bi"
],
"chemical_system": "Be-Bi-Hg",
"density": 9.29824125594065,
"density_atomic": 0.05238166824986153,
"volume": 76.3625927475224,
"volume_molar": 11.496657058103375,
"formula_full": "Be2 Hg1 Bi1",
"formula_reduced": "Be2HgBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.938587775,
"spacegroup": 65
},
{
"id": "jvasp-92700",
"created_at": "2022-09-04T14:36:07.181068Z",
"updated_at": "2022-09-04T14:36:07.181103Z",
"structure_string": "Ge1 H4\n1.0\n0.000000 0.000000 -6.976855\n-2.492085 -2.490372 0.000000\n-2.492085 2.490372 0.000000\nGe H\n1 4\ndirect\n0.500000 0.499999 0.499999 Ge\n0.000000 0.575587 0.424411 H\n0.000000 0.424411 0.575587 H\n0.500000 0.499999 -0.000000 H\n0.500000 -0.000000 0.499999 H\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ge",
"H"
],
"chemical_system": "Ge-H",
"density": 1.4701706937813022,
"density_atomic": 0.05773686988688836,
"volume": 86.59977601479683,
"volume_molar": 10.430320818911568,
"formula_full": "Ge1 H4",
"formula_reduced": "GeH4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.4569991900000003,
"spacegroup": 65
},
{
"id": "jvasp-90614",
"created_at": "2022-09-04T14:36:07.734347Z",
"updated_at": "2022-09-04T14:36:07.734366Z",
"structure_string": "Ba1 Mn2 O5\n1.0\n0.000000 4.053659 0.000000\n0.000000 0.000000 3.757173\n6.016677 -2.026829 0.000000\nBa Mn O\n1 2 5\ndirect\n0.992526 0.000000 0.000000 Ba\n0.656920 0.500000 0.328805 Mn\n0.328114 0.500000 0.671195 Mn\n0.492509 0.500000 0.000000 O\n0.814149 0.500000 0.643345 O\n0.170804 0.500000 0.356655 O\n0.646883 0.000000 0.308788 O\n0.338095 0.000000 0.691213 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.929217877703873,
"density_atomic": 0.08730213899044006,
"volume": 91.63578455822294,
"volume_molar": 6.898044915783162,
"formula_full": "Ba1 Mn2 O5",
"formula_reduced": "BaMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.6956197440948277,
"spacegroup": 65
},
{
"id": "jvasp-43647",
"created_at": "2022-09-04T14:36:08.495203Z",
"updated_at": "2022-09-04T14:36:08.495230Z",
"structure_string": "Li2 Fe1 F4\n1.0\n2.899792 4.341015 0.000000\n-2.899792 4.341015 0.000000\n0.000000 0.000000 2.925865\nLi Fe F\n2 1 4\ndirect\n0.000000 0.500000 0.500001 Li\n0.500000 0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Fe\n0.249212 0.750789 0.500001 F\n0.236157 0.236157 0.000000 F\n0.763844 0.763844 0.000000 F\n0.750789 0.249212 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.284941751055235,
"density_atomic": 0.09502888347765931,
"volume": 73.66181463813216,
"volume_molar": 6.337168805540862,
"formula_full": "Li2 Fe1 F4",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3208323757142856,
"spacegroup": 65
},
{
"id": "jvasp-42798",
"created_at": "2022-09-04T14:36:08.390315Z",
"updated_at": "2022-09-04T14:36:08.390344Z",
"structure_string": "Mn6 O4 F8\n1.0\n0.000000 6.693223 0.001126\n3.104955 0.000000 0.000000\n0.000000 -3.345335 -10.119999\nMn O F\n6 4 8\ndirect\n0.990482 0.000000 0.980944 Mn\n0.837425 0.499999 0.674855 Mn\n0.495910 0.499999 0.991812 Mn\n0.666665 0.000000 0.333333 Mn\n0.342853 0.000000 0.685723 Mn\n0.166666 0.499999 0.333333 Mn\n0.973155 0.000000 0.333331 O\n0.401694 0.499999 0.803424 O\n0.931641 0.499999 0.863242 O\n0.360175 0.000000 0.333334 O\n0.634232 0.000000 0.661259 F\n0.306327 0.000000 0.005422 F\n0.027007 0.000000 0.661243 F\n0.699105 0.000000 0.005410 F\n0.736494 0.499999 0.473038 F\n0.275990 0.499999 0.551985 F\n0.596834 0.499999 0.193629 F\n0.057348 0.499999 0.114682 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.308111754974424,
"density_atomic": 0.08559050380135007,
"volume": 210.30370427281065,
"volume_molar": 7.035991719334883,
"formula_full": "Mn6 O4 F8",
"formula_reduced": "Mn3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.98684665045977,
"spacegroup": 65
},
{
"id": "jvasp-67693",
"created_at": "2022-09-04T14:36:08.523769Z",
"updated_at": "2022-09-04T14:36:08.523785Z",
"structure_string": "Be2 Sn1 Ge1\n1.0\n2.896680 -3.650571 0.000000\n2.896680 3.650571 0.000000\n0.000000 0.000000 3.089156\nBe Sn Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500001 Sn\n0.500000 0.000000 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Ge"
],
"chemical_system": "Be-Ge-Sn",
"density": 5.321590427549218,
"density_atomic": 0.06122500581369141,
"volume": 65.33278268967517,
"volume_molar": 9.836080339992881,
"formula_full": "Be2 Sn1 Ge1",
"formula_reduced": "Be2SnGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3910524625,
"spacegroup": 65
}
]
}