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=created_at&page=1281",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=1279",
"results": [
{
"id": "jvasp-2292",
"created_at": "2022-09-04T14:36:31.815131Z",
"updated_at": "2022-09-04T14:36:31.815149Z",
"structure_string": "Ba1 Zr1 O3\n1.0\n4.228273 0.000000 0.000000\n0.000000 4.228273 0.000000\n0.000000 0.000000 4.228273\nBa Zr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Zr\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 6.07480643300143,
"density_atomic": 0.06614255156393607,
"volume": 75.59430172824217,
"volume_molar": 9.104790513227712,
"formula_full": "Ba1 Zr1 O3",
"formula_reduced": "BaZrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6934681939999998,
"spacegroup": 221
},
{
"id": "jvasp-78577",
"created_at": "2022-09-04T14:36:31.819516Z",
"updated_at": "2022-09-04T14:36:31.819551Z",
"structure_string": "Li1 O2\n1.0\n2.363771 -0.463045 2.195615\n0.661998 2.315941 2.195615\n-0.756149 -0.463045 3.136300\nLi O\n1 2\ndirect\n0.500002 0.499999 0.500001 Li\n0.250009 0.250005 0.250008 O\n0.749997 0.749990 0.749996 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.6419823817233428,
"density_atomic": 0.1225768221229409,
"volume": 24.474447518235458,
"volume_molar": 4.912952265934887,
"formula_full": "Li1 O2",
"formula_reduced": "LiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.564935666666667,
"spacegroup": 225
},
{
"id": "jvasp-102195",
"created_at": "2022-09-04T14:36:31.821895Z",
"updated_at": "2022-09-04T14:36:31.821921Z",
"structure_string": "Mg1 In2 Se4\n1.0\n4.079666 0.012300 12.905915\n2.001508 3.554968 12.905915\n0.020967 0.012300 13.535358\nMg In Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.763614 0.763614 0.763612 In\n0.236387 0.236387 0.236386 In\n0.872122 0.872121 0.872119 Se\n0.700292 0.700292 0.700290 Se\n0.127880 0.127880 0.127879 Se\n0.299709 0.299709 0.299708 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"In",
"Se"
],
"chemical_system": "In-Mg-Se",
"density": 4.859927616717878,
"density_atomic": 0.035955951042559074,
"volume": 194.6826546658295,
"volume_molar": 16.748662141829943,
"formula_full": "Mg1 In2 Se4",
"formula_reduced": "Mg(InSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4988646366666667,
"spacegroup": 166
},
{
"id": "jvasp-99910",
"created_at": "2022-09-04T14:36:31.823002Z",
"updated_at": "2022-09-04T14:36:31.823019Z",
"structure_string": "V1 Cr2 Te4\n1.0\n6.547414 0.025010 3.275258\n5.322431 3.813264 3.275258\n0.000754 0.000244 6.928943\nV Cr Te\n1 2 4\ndirect\n0.740945 0.740943 0.283992 V\n0.259976 0.259975 0.716372 Cr\n0.998924 0.998922 0.000286 Cr\n0.883608 0.883607 0.451833 Te\n0.117329 0.117328 0.548820 Te\n0.633316 0.633315 0.025598 Te\n0.365902 0.365901 0.973104 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Cr",
"Te"
],
"chemical_system": "Cr-Te-V",
"density": 6.4210006517849605,
"density_atomic": 0.04068292171420833,
"volume": 172.06237175328735,
"volume_molar": 14.802626031396349,
"formula_full": "V1 Cr2 Te4",
"formula_reduced": "V(CrTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8405285809523817,
"spacegroup": 8
},
{
"id": "jvasp-99536",
"created_at": "2022-09-04T14:36:31.827073Z",
"updated_at": "2022-09-04T14:36:31.827099Z",
"structure_string": "La1 Pr1 Tl2\n1.0\n4.827363 -0.000000 2.787080\n1.609121 4.551282 2.787080\n-0.000000 -0.000000 5.574159\nLa Pr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pr\n0.749999 0.750000 0.750001 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pr",
"Tl"
],
"chemical_system": "La-Pr-Tl",
"density": 9.336417624374075,
"density_atomic": 0.03266156089961855,
"volume": 122.46812123564844,
"volume_molar": 18.4380066173455,
"formula_full": "La1 Pr1 Tl2",
"formula_reduced": "LaPrTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4652800125,
"spacegroup": 225
},
{
"id": "jvasp-50608",
"created_at": "2022-09-04T14:36:31.828344Z",
"updated_at": "2022-09-04T14:36:31.828364Z",
"structure_string": "Mg8 Ti4 O16\n1.0\n6.016677 0.000000 0.000000\n0.000000 6.016677 -0.000000\n-0.000000 0.000000 8.450875\nMg Ti O\n8 4 16\ndirect\n0.000000 0.248621 0.000000 Mg\n0.000000 0.751379 0.500000 Mg\n0.248621 0.000000 0.750000 Mg\n0.252005 0.252005 0.375000 Mg\n0.252005 0.747995 0.125000 Mg\n0.747995 0.252005 0.625000 Mg\n0.747995 0.747995 0.875000 Mg\n0.751379 0.000000 0.250000 Mg\n0.763348 0.500000 0.250000 Ti\n0.500000 0.763348 0.500000 Ti\n0.500000 0.236652 0.000000 Ti\n0.236652 0.500000 0.750000 Ti\n0.739632 0.516686 0.483751 O\n0.739632 0.483315 0.016249 O\n0.737886 0.026124 0.002444 O\n0.737886 0.973876 0.497556 O\n0.516686 0.739632 0.266249 O\n0.516686 0.260368 0.233751 O\n0.483315 0.739632 0.733751 O\n0.026124 0.737886 0.747556 O\n0.262114 0.973876 0.502444 O\n0.262114 0.026124 0.997557 O\n0.260368 0.516686 0.516249 O\n0.260368 0.483315 0.983751 O\n0.973876 0.262114 0.247556 O\n0.026124 0.262114 0.752444 O\n0.483315 0.260368 0.766250 O\n0.973876 0.737886 0.252444 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.4841778692430725,
"density_atomic": 0.09152567881830996,
"volume": 305.92507328553705,
"volume_molar": 6.579728047638642,
"formula_full": "Mg8 Ti4 O16",
"formula_reduced": "Mg2TiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4680986333333328,
"spacegroup": 91
},
{
"id": "jvasp-7890",
"created_at": "2022-09-04T14:36:31.828590Z",
"updated_at": "2022-09-04T14:36:31.828622Z",
"structure_string": "Ba1 Tb2 Ni1 O5\n1.0\n3.568672 0.000000 -1.054968\n-0.746499 5.178840 -2.525203\n0.050119 0.031343 6.732946\nTb Ba Ni O\n2 1 1 5\ndirect\n0.201629 0.701629 0.403258 Tb\n0.798370 0.298371 0.596742 Tb\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.000001 Ni\n-0.000000 0.500001 0.000000 O\n0.350431 0.591889 0.700864 O\n0.649567 0.408111 0.299137 O\n0.649569 0.891026 0.299137 O\n0.350432 0.108974 0.700864 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Tb",
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tb",
"density": 7.888091405550253,
"density_atomic": 0.07199052636359381,
"volume": 125.0164494498178,
"volume_molar": 8.365185065580302,
"formula_full": "Ba1 Tb2 Ni1 O5",
"formula_reduced": "BaTb2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.7418969633333337,
"spacegroup": 71
},
{
"id": "jvasp-34221",
"created_at": "2022-09-04T14:36:31.829193Z",
"updated_at": "2022-09-04T14:36:31.829228Z",
"structure_string": "Li1 Ge1 B1 O4\n1.0\n3.352253 0.059060 -1.877124\n-0.950210 3.215387 -1.877198\n0.771606 1.051688 5.484526\nLi Ge B O\n1 1 1 4\ndirect\n0.006472 0.006470 0.012951 Li\n0.272358 0.272361 0.544716 Ge\n0.747098 0.747099 0.494196 B\n0.641696 0.641694 0.700646 O\n0.891033 0.434393 0.325424 O\n0.058953 0.058953 0.700648 O\n0.434392 0.891034 0.325424 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Li",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-Li-O",
"density": 3.5366286190503082,
"density_atomic": 0.09656513623319106,
"volume": 72.48993035225463,
"volume_molar": 6.23635091805534,
"formula_full": "Li1 Ge1 B1 O4",
"formula_reduced": "LiGeBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.255568933333333,
"spacegroup": 42
},
{
"id": "jvasp-47499",
"created_at": "2022-09-04T14:36:31.833432Z",
"updated_at": "2022-09-04T14:36:31.833458Z",
"structure_string": "Li3 Fe3 P3 O12\n1.0\n2.606321 -4.514281 0.000000\n2.606321 4.514281 -0.000000\n-0.000000 0.000000 12.971233\nLi Fe P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n-0.000000 0.500000 0.666667 Fe\n0.500000 0.500000 0.333333 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.166667 P\n0.500000 0.500000 0.833333 P\n0.500000 -0.000000 0.500000 P\n0.780697 0.598066 0.766816 O\n0.817369 0.598066 0.233184 O\n0.401933 0.219302 0.899851 O\n0.401933 0.182631 0.433483 O\n0.598066 0.817369 0.433483 O\n0.219302 0.817369 0.566517 O\n0.219302 0.401933 0.766816 O\n0.182631 0.401933 0.233184 O\n0.817369 0.219302 0.100149 O\n0.182631 0.780697 0.100149 O\n0.598066 0.780697 0.899851 O\n0.780697 0.182631 0.566517 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.574733235304269,
"density_atomic": 0.06880049235019278,
"volume": 305.2303738338169,
"volume_molar": 8.753048930736504,
"formula_full": "Li3 Fe3 P3 O12",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.449985,
"spacegroup": 180
},
{
"id": "jvasp-101392",
"created_at": "2022-09-04T14:36:31.838009Z",
"updated_at": "2022-09-04T14:36:31.838035Z",
"structure_string": "Cd3 Bi1\n1.0\n4.323193 0.123596 -3.811725\n-0.801717 4.250003 -3.811725\n-0.099515 -0.123596 5.762754\nCd Bi\n3 1\ndirect\n0.749999 0.250000 0.500000 Cd\n0.249999 0.749999 0.499999 Cd\n0.499999 0.500000 0.000001 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd",
"density": 8.851127290448199,
"density_atomic": 0.03903436601604922,
"volume": 102.47380470725145,
"volume_molar": 15.42779190399547,
"formula_full": "Cd3 Bi1",
"formula_reduced": "Cd3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-14826",
"created_at": "2022-09-04T14:36:31.838468Z",
"updated_at": "2022-09-04T14:36:31.838482Z",
"structure_string": "Dy2\n1.0\n1.781259 -3.085231 0.000000\n1.781259 3.085231 -0.000000\n-0.000000 -0.000000 5.590644\nDy\n2\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.749999 Dy\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.782655875583185,
"density_atomic": 0.03254793227549586,
"volume": 61.44783585855396,
"volume_molar": 18.50237584687937,
"formula_full": "Dy2",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy_above_hull": 0.0175699999999998,
"spacegroup": 194
},
{
"id": "jvasp-100005",
"created_at": "2022-09-04T14:36:31.838629Z",
"updated_at": "2022-09-04T14:36:31.838665Z",
"structure_string": "Dy2 Mn2 Fe2\n1.0\n4.448227 -0.009090 -2.495969\n-1.456115 4.142800 -2.594916\n-0.016583 0.009090 5.100618\nDy Mn Fe\n2 2 2\ndirect\n0.126649 0.876648 0.250000 Dy\n0.873353 0.123352 0.750001 Dy\n0.500001 0.500000 -0.000000 Mn\n0.000001 0.500000 0.500000 Mn\n0.500001 0.500000 0.500000 Fe\n0.500000 -0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Fe"
],
"chemical_system": "Dy-Fe-Mn",
"density": 9.666225192573522,
"density_atomic": 0.06390228352547718,
"volume": 93.89335824920657,
"volume_molar": 9.423983663430485,
"formula_full": "Dy2 Mn2 Fe2",
"formula_reduced": "DyMnFe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6820764137931032,
"spacegroup": 74
}
]
}