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=volume&page=187",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=185",
"results": [
{
"id": "jvasp-37904",
"created_at": "2022-09-04T14:38:02.845465Z",
"updated_at": "2022-09-04T14:38:02.845484Z",
"structure_string": "Be1 Ni3\n1.0\n3.431488 -0.000000 -0.000000\n0.000000 3.431488 -0.000000\n0.000000 0.000000 3.431488\nBe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Ni"
],
"chemical_system": "Be-Ni",
"density": 7.606593158935941,
"density_atomic": 0.09899483539629533,
"volume": 40.4061483004364,
"volume_molar": 6.083287815866569,
"formula_full": "Be1 Ni3",
"formula_reduced": "BeNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.194525825,
"spacegroup": 221
},
{
"id": "jvasp-73709",
"created_at": "2022-09-04T14:36:19.261958Z",
"updated_at": "2022-09-04T14:36:19.261979Z",
"structure_string": "Be2 Cr1 Cu1\n1.0\n-1.925893 1.925893 2.723697\n1.925893 -1.925893 2.723697\n1.925893 1.925893 -2.723697\nBe Cr Cu\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.749999 0.499999 Cr\n0.749999 0.250000 0.499999 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Cu"
],
"chemical_system": "Be-Cr-Cu",
"density": 5.488623403484841,
"density_atomic": 0.0989867118915074,
"volume": 40.4094642964212,
"volume_molar": 6.083787050731071,
"formula_full": "Be2 Cr1 Cu1",
"formula_reduced": "Be2CrCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0280900125,
"spacegroup": 225
},
{
"id": "jvasp-109381",
"created_at": "2022-09-04T14:38:27.927438Z",
"updated_at": "2022-09-04T14:38:27.927451Z",
"structure_string": "Mn1 Fe1 O2\n1.0\n3.056080 -0.000000 0.000000\n0.000000 3.056080 0.000000\n-0.000000 -0.000000 4.326760\nMn Fe O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
"density": 5.867185826232151,
"density_atomic": 0.0989846262957514,
"volume": 40.41031571962087,
"volume_molar": 6.083915235489939,
"formula_full": "Mn1 Fe1 O2",
"formula_reduced": "MnFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.824684935344828,
"spacegroup": 123
},
{
"id": "jvasp-68204",
"created_at": "2022-09-04T14:35:47.783510Z",
"updated_at": "2022-09-04T14:35:47.783538Z",
"structure_string": "Mn2 Be1 Co1\n1.0\n-1.718160 1.718160 3.422641\n1.718160 -1.718160 3.422641\n1.718160 1.718160 -3.422641\nMn Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Mn\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Co"
],
"chemical_system": "Be-Co-Mn",
"density": 7.306085296697038,
"density_atomic": 0.09897179416809286,
"volume": 40.415555094479075,
"volume_molar": 6.084704041812202,
"formula_full": "Mn2 Be1 Co1",
"formula_reduced": "Mn2BeCo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3956803706896546,
"spacegroup": 119
},
{
"id": "jvasp-121094",
"created_at": "2022-09-04T14:38:49.913989Z",
"updated_at": "2022-09-04T14:38:49.914016Z",
"structure_string": "Nb1 H1 O2\n1.0\n3.190116 0.000000 0.000000\n0.000000 3.190116 0.000000\n0.000000 -0.000000 3.971506\nNb H O\n1 1 2\ndirect\n0.500001 0.500001 0.520538 Nb\n0.000000 0.000000 0.861788 H\n0.000000 0.000000 0.611584 O\n0.500001 0.500001 0.016091 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 5.17311233529165,
"density_atomic": 0.09896732178881602,
"volume": 40.417381492201066,
"volume_molar": 6.084979012416342,
"formula_full": "Nb1 H1 O2",
"formula_reduced": "NbHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8338890999999995,
"spacegroup": 99
},
{
"id": "jvasp-67430",
"created_at": "2022-09-04T14:35:41.439411Z",
"updated_at": "2022-09-04T14:35:41.439437Z",
"structure_string": "Be1 Tc1 W1\n1.0\n1.432255 -2.480739 0.000000\n1.432255 2.480739 0.000000\n-0.000000 -0.000000 5.688255\nBe Tc W\n1 1 1\ndirect\n0.000000 0.000000 0.991090 Be\n0.333335 0.666669 0.688666 Tc\n0.666669 0.333335 0.320242 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Tc",
"W"
],
"chemical_system": "Be-Tc-W",
"density": 11.948432913051043,
"density_atomic": 0.07421826206757809,
"volume": 40.4213183713249,
"volume_molar": 8.11409563122975,
"formula_full": "Be1 Tc1 W1",
"formula_reduced": "BeTcW",
"formula_anonymous": "ABC",
"energy_above_hull": 4.580572533333333,
"spacegroup": 156
},
{
"id": "jvasp-67155",
"created_at": "2022-09-04T14:35:41.904801Z",
"updated_at": "2022-09-04T14:35:41.904833Z",
"structure_string": "Ta1 Be1 Ru1\n1.0\n-1.519840 1.519840 4.375044\n1.519840 -1.519840 4.375044\n1.519840 1.519840 -4.375044\nTa Be Ru\n1 1 1\ndirect\n0.336685 0.336685 0.000000 Ta\n0.021164 0.021164 0.000000 Be\n0.642150 0.642150 0.000000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"Be",
"Ru"
],
"chemical_system": "Be-Ru-Ta",
"density": 11.954978301623793,
"density_atomic": 0.07421353139113582,
"volume": 40.423894992798104,
"volume_molar": 8.114612857136311,
"formula_full": "Ta1 Be1 Ru1",
"formula_reduced": "TaBeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.784585266666666,
"spacegroup": 107
},
{
"id": "jvasp-106007",
"created_at": "2022-09-04T14:35:53.433788Z",
"updated_at": "2022-09-04T14:35:53.433804Z",
"structure_string": "Pu1 Zr1\n1.0\n3.080651 0.234140 5.237824\n1.604510 2.640223 5.237824\n0.381643 0.234140 6.064615\nPu Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.499999 0.500001 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Zr"
],
"chemical_system": "Pu-Zr",
"density": 13.768710591869121,
"density_atomic": 0.049469675975821026,
"volume": 40.42880735619791,
"volume_molar": 12.173398432897365,
"formula_full": "Pu1 Zr1",
"formula_reduced": "PuZr",
"formula_anonymous": "AB",
"energy_above_hull": 4.371077249999999,
"spacegroup": 166
},
{
"id": "jvasp-8640",
"created_at": "2022-09-04T14:36:46.027323Z",
"updated_at": "2022-09-04T14:36:46.027333Z",
"structure_string": "Li1 Mn1 O2\n1.0\n3.147609 -0.179778 0.080248\n-1.728992 2.636366 -0.080314\n0.149179 -0.086056 5.066533\nLi Mn O\n1 1 2\ndirect\n0.676416 0.323574 0.414222 Li\n0.980970 0.018992 0.974823 Mn\n0.369111 0.630869 0.219549 O\n0.640098 0.359859 0.782806 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.855815275651127,
"density_atomic": 0.09893819928462871,
"volume": 40.4292783669194,
"volume_molar": 6.086770128770289,
"formula_full": "Li1 Mn1 O2",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9432235603448276,
"spacegroup": 8
},
{
"id": "jvasp-120045",
"created_at": "2022-09-04T14:38:53.426473Z",
"updated_at": "2022-09-04T14:38:53.426503Z",
"structure_string": "H1 C1 Cl1\n1.0\n2.389814 0.000000 0.000000\n0.000000 2.389814 0.000000\n0.000000 0.000000 7.081110\nH C Cl\n1 1 1\ndirect\n0.000000 0.000000 0.059236 H\n0.000000 0.000000 0.216599 C\n0.000000 0.000000 0.681468 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"H",
"C",
"Cl"
],
"chemical_system": "C-Cl-H",
"density": 1.990248331884433,
"density_atomic": 0.07418083402648562,
"volume": 40.441713002699274,
"volume_molar": 8.118189609259243,
"formula_full": "H1 C1 Cl1",
"formula_reduced": "HCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1072946891666664,
"spacegroup": 99
},
{
"id": "jvasp-29783",
"created_at": "2022-09-04T14:38:06.845626Z",
"updated_at": "2022-09-04T14:38:06.845653Z",
"structure_string": "Ni1 H2 O2\n1.0\n3.367314 -0.000379 0.000124\n-1.683985 2.916749 0.000000\n0.000125 0.000072 4.118972\nNi H O\n1 2 2\ndirect\n0.999957 0.999979 0.979906 Ni\n0.666725 0.333364 0.028936 H\n0.333365 0.666682 0.438221 H\n0.666585 0.333292 0.787873 O\n0.333368 0.666684 0.198795 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.805602239542306,
"density_atomic": 0.12360234604694074,
"volume": 40.45230660995009,
"volume_molar": 4.872189689435957,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.22817188,
"spacegroup": 156
},
{
"id": "jvasp-67433",
"created_at": "2022-09-04T14:35:44.957445Z",
"updated_at": "2022-09-04T14:35:44.957470Z",
"structure_string": "Hf1 Be1 Co1\n1.0\n1.898205 -3.287787 -0.000000\n1.898205 3.287787 -0.000000\n-0.000000 -0.000000 3.241787\nHf Be Co\n1 1 1\ndirect\n0.666668 0.333334 0.333336 Hf\n0.000000 0.000000 0.833282 Be\n0.333334 0.666668 0.833385 Co\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Co"
],
"chemical_system": "Be-Co-Hf",
"density": 10.113253456187111,
"density_atomic": 0.07414126569469229,
"volume": 40.463296274894425,
"volume_molar": 8.122522192699929,
"formula_full": "Hf1 Be1 Co1",
"formula_reduced": "HfBeCo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0387766666666662,
"spacegroup": 187
}
]
}