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=-id&page=4611",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=4609",
"results": [
{
"id": "jvasp-100465",
"created_at": "2022-09-04T14:36:32.230408Z",
"updated_at": "2022-09-04T14:36:32.230437Z",
"structure_string": "Li2 V2 F6\n1.0\n4.614055 -0.020980 3.043210\n1.627556 4.317523 3.043210\n-0.030478 -0.020980 5.527178\nLi V F\n2 2 6\ndirect\n0.137825 0.137825 0.137825 Li\n0.862175 0.862175 0.862176 Li\n0.344729 0.344729 0.344730 V\n0.655270 0.655270 0.655271 V\n0.436791 0.755229 0.057008 F\n0.057008 0.436790 0.755229 F\n0.244772 0.942992 0.563210 F\n0.755228 0.057008 0.436791 F\n0.942992 0.563209 0.244771 F\n0.563209 0.244771 0.942993 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.4404973979920306,
"density_atomic": 0.09017919879507175,
"volume": 110.89031765212906,
"volume_molar": 6.677971018222339,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4251910095000001,
"spacegroup": 148
},
{
"id": "jvasp-100464",
"created_at": "2022-09-04T14:36:31.926753Z",
"updated_at": "2022-09-04T14:36:31.926769Z",
"structure_string": "Cr2 H1 O4\n1.0\n2.948247 0.000000 0.000000\n0.000000 4.265372 0.200622\n0.000000 0.014043 4.749988\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.499999 0.500000 Cr\n0.500000 0.500000 -0.000000 H\n0.000000 0.264812 0.667062 O\n0.500000 0.258348 0.146623 O\n0.500000 0.741651 0.853377 O\n0.000000 0.735187 0.332938 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.698693301905697,
"density_atomic": 0.11720473139668433,
"volume": 59.724551360543686,
"volume_molar": 5.138137930300623,
"formula_full": "Cr2 H1 O4",
"formula_reduced": "Cr2HO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.284166971428572,
"spacegroup": 10
},
{
"id": "jvasp-100463",
"created_at": "2022-09-04T14:36:31.549479Z",
"updated_at": "2022-09-04T14:36:31.549498Z",
"structure_string": "Ca1 Cr1 F6\n1.0\n4.683182 0.109275 3.175331\n1.740464 4.349129 3.175331\n0.157443 0.109275 5.655982\nCa Cr F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cr\n0.927493 0.215186 0.634201 F\n0.215185 0.634202 0.927493 F\n0.365798 0.072507 0.784813 F\n0.784813 0.365799 0.072507 F\n0.072506 0.784814 0.365799 F\n0.634200 0.927493 0.215187 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"F"
],
"chemical_system": "Ca-Cr-F",
"density": 3.083151050446784,
"density_atomic": 0.07208293669820208,
"volume": 110.98326963972791,
"volume_molar": 8.35446089719345,
"formula_full": "Ca1 Cr1 F6",
"formula_reduced": "CaCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1085036893749999,
"spacegroup": 148
},
{
"id": "jvasp-100462",
"created_at": "2022-09-04T14:36:31.961166Z",
"updated_at": "2022-09-04T14:36:31.961195Z",
"structure_string": "La1 Fe1 O3\n1.0\n3.851932 0.000000 0.000000\n-0.000000 3.851932 0.000000\n0.000000 -0.000000 3.851932\nLa Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Fe",
"O"
],
"chemical_system": "Fe-La-O",
"density": 7.052938898516602,
"density_atomic": 0.0874851154348742,
"volume": 57.152579329018636,
"volume_molar": 6.883617550328332,
"formula_full": "La1 Fe1 O3",
"formula_reduced": "LaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1468702,
"spacegroup": 221
},
{
"id": "jvasp-100460",
"created_at": "2022-09-04T14:36:31.496975Z",
"updated_at": "2022-09-04T14:36:31.497003Z",
"structure_string": "Sr2 Fe1 W1 O6\n1.0\n4.774486 0.000000 2.756550\n1.591495 4.501428 2.756550\n0.000000 0.000000 5.513101\nSr Fe W O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 W\n0.249815 0.750184 0.249816 O\n0.750184 0.249816 0.750184 O\n0.249816 0.249816 0.750184 O\n0.750184 0.750184 0.249816 O\n0.249815 0.750184 0.750184 O\n0.750184 0.249816 0.249816 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-O-Sr-W",
"density": 7.160285018193575,
"density_atomic": 0.08439702129560889,
"volume": 118.48759407010365,
"volume_molar": 7.135489698039056,
"formula_full": "Sr2 Fe1 W1 O6",
"formula_reduced": "Sr2FeWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.696294912,
"spacegroup": 225
},
{
"id": "jvasp-10046",
"created_at": "2022-09-04T14:38:14.374856Z",
"updated_at": "2022-09-04T14:38:14.374875Z",
"structure_string": "Mg2 V4 O8\n1.0\n5.969422 -0.013387 -0.054157\n2.973118 5.176364 -0.054157\n2.936628 1.695463 4.795493\nMg V O\n2 4 8\ndirect\n0.125001 0.624999 0.624999 Mg\n0.625001 0.124999 0.624999 Mg\n0.996979 0.996977 0.003020 V\n0.253022 0.253021 0.246978 V\n0.625001 0.624999 0.124999 V\n0.625001 0.624999 0.624999 V\n0.385809 0.385808 0.371330 O\n0.382696 0.862195 0.377553 O\n0.385810 0.385808 0.857051 O\n0.862197 0.382694 0.377553 O\n0.387806 0.867304 0.872444 O\n0.867306 0.387803 0.872444 O\n0.864193 0.864190 0.392947 O\n0.864193 0.864190 0.878668 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 4.22569332507246,
"density_atomic": 0.09366326375225614,
"volume": 149.4716224819015,
"volume_molar": 6.429565358654225,
"formula_full": "Mg2 V4 O8",
"formula_reduced": "MgV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.488111635714285,
"spacegroup": 74
},
{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.801527884950886,
"density_atomic": 0.084030102403458,
"volume": 119.00497219420836,
"volume_molar": 7.166646936934089,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650383295275862,
"spacegroup": 123
},
{
"id": "jvasp-100458",
"created_at": "2022-09-04T14:37:08.570068Z",
"updated_at": "2022-09-04T14:37:08.570094Z",
"structure_string": "In2 Fe2 O6\n1.0\n3.339446 -0.000000 -0.000000\n-1.669722 2.892044 0.000000\n-0.000000 -0.000000 11.934087\nIn Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666666 0.750000 Fe\n0.666668 0.333333 0.250000 Fe\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.666668 0.333333 0.411349 O\n0.333333 0.666666 0.911348 O\n0.666668 0.333333 0.088652 O\n0.333333 0.666666 0.588652 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Fe",
"O"
],
"chemical_system": "Fe-In-O",
"density": 6.300605666962499,
"density_atomic": 0.08676238448525432,
"volume": 115.25732100757959,
"volume_molar": 6.940958107281493,
"formula_full": "In2 Fe2 O6",
"formula_reduced": "InFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8660891939999995,
"spacegroup": 194
},
{
"id": "jvasp-100457",
"created_at": "2022-09-04T14:36:42.868094Z",
"updated_at": "2022-09-04T14:36:42.868110Z",
"structure_string": "Mn1 Sn1 F6\n1.0\n4.685432 0.084453 3.218002\n1.738192 4.351908 3.218002\n0.122284 0.084453 5.682768\nMn Sn F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.383998 0.756033 0.102648 F\n0.756032 0.102648 0.383999 F\n0.897351 0.616001 0.243967 F\n0.243966 0.897351 0.616002 F\n0.616001 0.243966 0.897353 F\n0.102648 0.383998 0.756034 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"F"
],
"chemical_system": "F-Mn-Sn",
"density": 4.243365022622422,
"density_atomic": 0.0710729464981583,
"volume": 112.56041003178758,
"volume_molar": 8.47318291518426,
"formula_full": "Mn1 Sn1 F6",
"formula_reduced": "MnSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2325575795474136,
"spacegroup": 148
},
{
"id": "jvasp-100456",
"created_at": "2022-09-04T14:37:06.673149Z",
"updated_at": "2022-09-04T14:37:06.673185Z",
"structure_string": "Ba1 Y1 Co2 O5\n1.0\n3.865864 -0.000000 -0.000000\n0.000000 3.865864 -0.000000\n-0.000000 0.000000 7.367003\nBa Y Co O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Y\n0.499999 0.499999 0.267327 Co\n0.499999 0.499999 0.732672 Co\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.692306 O\n0.499999 0.000000 0.307694 O\n0.000000 0.499999 0.307694 O\n0.000000 0.499999 0.692306 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.396310379220549,
"density_atomic": 0.08174449581411986,
"volume": 110.09915603938946,
"volume_molar": 7.367029058071195,
"formula_full": "Ba1 Y1 Co2 O5",
"formula_reduced": "BaYCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.548797857777778,
"spacegroup": 123
},
{
"id": "jvasp-100455",
"created_at": "2022-09-04T14:36:42.802535Z",
"updated_at": "2022-09-04T14:36:42.802544Z",
"structure_string": "V4 O4\n1.0\n3.146913 -0.378606 0.801754\n-0.350464 4.930890 -0.709691\n-0.051081 -0.058849 4.629032\nV O\n4 4\ndirect\n0.499893 0.499920 -0.000030 V\n0.750109 0.750079 0.500030 V\n0.000076 0.000047 -0.000026 V\n0.249924 0.249953 0.500026 V\n0.874940 0.375007 0.250022 O\n0.125001 0.625000 0.749999 O\n0.375060 0.874991 0.249976 O\n0.624999 0.124999 0.749999 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 6.237106192395159,
"density_atomic": 0.11222057498077102,
"volume": 71.28817510844868,
"volume_molar": 5.366342812832578,
"formula_full": "V4 O4",
"formula_reduced": "VO",
"formula_anonymous": "AB",
"energy_above_hull": 1.3333938500000009,
"spacegroup": 166
},
{
"id": "jvasp-100454",
"created_at": "2022-09-04T14:37:04.457070Z",
"updated_at": "2022-09-04T14:37:04.457095Z",
"structure_string": "Li2 Co1 Ni1 O4\n1.0\n2.838251 0.024092 0.026270\n-0.056414 4.735924 1.705158\n-0.046701 0.089136 4.973425\nLi Co Ni O\n2 1 1 4\ndirect\n0.000001 0.500000 0.500000 Li\n0.500000 0.000001 0.500000 Li\n0.500000 0.499999 0.000000 Co\n0.000000 -0.000000 0.000000 Ni\n0.000059 0.729048 0.769104 O\n-0.000057 0.270952 0.230896 O\n0.499986 0.248654 0.786648 O\n0.500015 0.751345 0.213352 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.886988369954172,
"density_atomic": 0.12042639105739807,
"volume": 66.43062147554527,
"volume_molar": 5.000681916250157,
"formula_full": "Li2 Co1 Ni1 O4",
"formula_reduced": "Li2CoNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0388884124999995,
"spacegroup": 10
}
]
}