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=-formula_anonymous&page=3655",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3653",
"results": [
{
"id": "jvasp-54743",
"created_at": "2022-09-04T14:38:18.183467Z",
"updated_at": "2022-09-04T14:38:18.183491Z",
"structure_string": "Zn4 H8 O8\n1.0\n0.000000 4.825981 -0.017585\n8.580348 0.000000 0.000000\n0.000000 -0.018190 -5.104011\nZn H O\n4 8 8\ndirect\n0.676532 0.632901 0.642287 Zn\n0.823493 0.380215 0.142204 Zn\n0.176507 0.880215 0.857795 Zn\n0.323468 0.132901 0.357712 Zn\n0.289072 0.416674 0.360030 H\n0.210968 0.596450 0.860155 H\n0.710928 0.916674 0.639969 H\n0.789031 0.096450 0.139844 H\n0.994585 0.909337 0.328935 H\n0.005415 0.409337 0.671064 H\n0.494687 0.603820 0.171181 H\n0.505313 0.103820 0.828818 H\n0.362879 0.675381 0.885270 O\n0.568666 0.533098 0.311597 O\n0.931442 0.480032 0.811538 O\n0.068558 0.980032 0.188461 O\n0.431334 0.033098 0.688402 O\n0.862855 0.837753 0.614863 O\n0.637121 0.175381 0.114729 O\n0.137145 0.337753 0.385136 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.1245765651244373,
"density_atomic": 0.09462856281863281,
"volume": 211.35267623510714,
"volume_molar": 6.363977831452611,
"formula_full": "Zn4 H8 O8",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5397374799999997,
"spacegroup": 19
},
{
"id": "jvasp-109809",
"created_at": "2022-09-04T14:38:18.952013Z",
"updated_at": "2022-09-04T14:38:18.952033Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.015640 0.000126 0.000206\n-1.507934 2.611423 -0.000027\n-0.000260 -0.000208 5.291894\nLi Mn N\n2 1 2\ndirect\n0.666658 0.333350 0.359424 Li\n0.333343 0.666675 0.640575 Li\n-0.000000 0.000015 0.000000 Mn\n0.666677 0.333357 0.795664 N\n0.333324 0.666668 0.204336 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.8583013414272256,
"density_atomic": 0.11997525121925161,
"volume": 41.67526176596731,
"volume_molar": 5.019485851290027,
"formula_full": "Li2 Mn1 N2",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.273594748275862,
"spacegroup": 164
},
{
"id": "jvasp-10786",
"created_at": "2022-09-04T14:38:09.640652Z",
"updated_at": "2022-09-04T14:38:09.640678Z",
"structure_string": "Zr4 S2 N4\n1.0\n1.814864 -3.143436 0.000000\n1.814864 3.143436 -0.000000\n-0.000000 -0.000000 12.891935\nZr S N\n4 2 4\ndirect\n0.333332 0.666666 0.602650 Zr\n0.666666 0.333332 0.102650 Zr\n0.666666 0.333332 0.397349 Zr\n0.333332 0.666666 0.897349 Zr\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n0.666666 0.333332 0.568071 N\n0.333332 0.666666 0.068071 N\n0.333332 0.666666 0.431929 N\n0.666666 0.333332 0.931929 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"S",
"N"
],
"chemical_system": "N-S-Zr",
"density": 5.475720876651815,
"density_atomic": 0.06798344817938064,
"volume": 147.09462770429167,
"volume_molar": 8.8582455307504,
"formula_full": "Zr4 S2 N4",
"formula_reduced": "Zr2SN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.0541651,
"spacegroup": 194
},
{
"id": "jvasp-18012",
"created_at": "2022-09-04T14:38:15.045753Z",
"updated_at": "2022-09-04T14:38:15.045772Z",
"structure_string": "Pu1 Si2 Os2\n1.0\n3.890481 0.000000 -1.511129\n-0.586948 3.845950 -1.511129\n-0.012178 -0.014177 5.732338\nPu Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.626823 0.626823 0.253646 Si\n0.373176 0.373176 0.746354 Si\n0.749999 0.250000 0.500000 Os\n0.249999 0.750000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Si",
"Os"
],
"chemical_system": "Os-Pu-Si",
"density": 13.202828403095117,
"density_atomic": 0.05840851437933442,
"volume": 85.6039577984722,
"volume_molar": 10.310381669509987,
"formula_full": "Pu1 Si2 Os2",
"formula_reduced": "Pu(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 5.45900744,
"spacegroup": 139
},
{
"id": "jvasp-54742",
"created_at": "2022-09-04T14:38:18.847690Z",
"updated_at": "2022-09-04T14:38:18.847717Z",
"structure_string": "Be4 H8 O8\n1.0\n4.807069 0.000000 0.000000\n0.000000 4.806342 0.000000\n0.000000 0.000000 5.851816\nBe H O\n4 8 8\ndirect\n0.080637 0.669151 0.874996 Be\n0.580637 0.830848 0.125005 Be\n0.419363 0.330848 0.374995 Be\n0.919363 0.169151 0.625005 Be\n0.825322 0.742623 0.553274 H\n0.325322 0.757376 0.446727 H\n0.174678 0.242624 0.946727 H\n0.674678 0.257376 0.053274 H\n0.492812 0.075835 0.696785 H\n0.507189 0.575835 0.803217 H\n0.007188 0.924165 0.196784 H\n-0.007188 0.424165 0.303216 H\n0.474199 0.668938 0.356627 O\n0.918598 0.775430 0.106613 O\n0.418597 0.724569 0.893388 O\n0.581403 0.224570 0.606614 O\n0.081403 0.275430 0.393387 O\n0.025801 0.331062 0.856628 O\n0.525801 0.168938 0.143373 O\n0.974199 0.831062 0.643374 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Be",
"H",
"O"
],
"chemical_system": "Be-H-O",
"density": 2.1137960118797943,
"density_atomic": 0.14792592968859575,
"volume": 135.2028007672673,
"volume_molar": 4.071051486833599,
"formula_full": "Be4 H8 O8",
"formula_reduced": "Be(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.15324062,
"spacegroup": 92
},
{
"id": "jvasp-18085",
"created_at": "2022-09-04T14:38:15.054856Z",
"updated_at": "2022-09-04T14:38:15.054872Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.931390 -3.345266 -0.000000\n1.931390 3.345266 0.000000\n-0.000000 0.000000 6.650048\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.275183 Pu\n0.333333 0.666667 0.724817 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.371008 O\n0.666667 0.333333 0.628992 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"S",
"O"
],
"chemical_system": "O-Pu-S",
"density": 10.667998776073048,
"density_atomic": 0.05818547627939111,
"volume": 85.93209714381878,
"volume_molar": 10.349903696041414,
"formula_full": "Pu2 S1 O2",
"formula_reduced": "Pu2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.2105714,
"spacegroup": 164
},
{
"id": "jvasp-16259",
"created_at": "2022-09-04T14:38:19.800285Z",
"updated_at": "2022-09-04T14:38:19.800315Z",
"structure_string": "Nd1 Al2 Ge2\n1.0\n2.154854 -3.732317 -0.000000\n2.154854 3.732317 0.000000\n-0.000000 -0.000000 6.865324\nNd Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666666 0.333332 0.357149 Al\n0.333332 0.666666 0.642851 Al\n0.666666 0.333332 0.733161 Ge\n0.333332 0.666666 0.266838 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Nd",
"density": 5.1649909430853,
"density_atomic": 0.0452775164902183,
"volume": 110.43008511918258,
"volume_molar": 13.300510334529978,
"formula_full": "Nd1 Al2 Ge2",
"formula_reduced": "Nd(AlGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3103338,
"spacegroup": 164
},
{
"id": "jvasp-106998",
"created_at": "2022-09-04T14:38:09.009015Z",
"updated_at": "2022-09-04T14:38:09.009037Z",
"structure_string": "Ho4 Mg2 Si4\n1.0\n7.113970 -0.000000 0.000000\n0.000000 7.113970 0.000000\n-0.000000 -0.000000 4.193124\nHo Mg Si\n4 2 4\ndirect\n0.678393 0.178393 0.500000 Ho\n0.321607 0.821607 0.500000 Ho\n0.178393 0.321607 0.500000 Ho\n0.821607 0.678393 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.119070 0.619070 -0.000000 Si\n0.880930 0.380930 -0.000000 Si\n0.619070 0.880930 -0.000000 Si\n0.380930 0.119070 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Si"
],
"chemical_system": "Ho-Mg-Si",
"density": 6.42181258066526,
"density_atomic": 0.04712357554576363,
"volume": 212.20800595422966,
"volume_molar": 12.77946482255289,
"formula_full": "Ho4 Mg2 Si4",
"formula_reduced": "Ho2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6072954766666665,
"spacegroup": 127
},
{
"id": "jvasp-14200",
"created_at": "2022-09-04T14:36:44.687329Z",
"updated_at": "2022-09-04T14:36:44.687357Z",
"structure_string": "Np1 Co2 Ge2\n1.0\n3.751331 0.000000 -1.386162\n-0.512204 3.716199 -1.386162\n-0.055126 -0.063245 5.619956\nNp Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750001 0.500001 Co\n0.750000 0.250001 0.500001 Co\n0.626851 0.626851 0.253702 Ge\n0.373149 0.373150 0.746299 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Np",
"density": 10.690312929482802,
"density_atomic": 0.06435972601145962,
"volume": 77.68833570095873,
"volume_molar": 9.357001860026136,
"formula_full": "Np1 Co2 Ge2",
"formula_reduced": "Np(CoGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.22125274,
"spacegroup": 139
},
{
"id": "jvasp-8271",
"created_at": "2022-09-04T14:36:53.955666Z",
"updated_at": "2022-09-04T14:36:53.955684Z",
"structure_string": "Ca1 Ti2 N2\n1.0\n3.229334 0.000000 0.000000\n0.000000 3.229357 0.000000\n0.000000 0.000000 8.229386\nCa Ti N\n1 2 2\ndirect\n0.000000 0.000000 0.750001 Ca\n0.499999 0.500000 0.074953 Ti\n0.499999 0.500000 0.425046 Ti\n0.000000 0.500000 0.549530 N\n0.499999 0.000000 0.950472 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.169814719532927,
"density_atomic": 0.05826041148303005,
"volume": 85.82157030347078,
"volume_molar": 10.33659153223474,
"formula_full": "Ca1 Ti2 N2",
"formula_reduced": "Ca(TiN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5739367173333334,
"spacegroup": 115
},
{
"id": "jvasp-107583",
"created_at": "2022-09-04T14:36:58.660989Z",
"updated_at": "2022-09-04T14:36:58.661013Z",
"structure_string": "Ba2 Mn4 N4\n1.0\n4.397121 -0.000000 4.720846\n4.397122 4.397121 0.000000\n0.000000 -0.000000 9.441692\nBa Mn N\n2 4 4\ndirect\n-0.000000 0.000000 0.250000 Ba\n-0.000000 0.000000 0.750000 Ba\n0.729057 0.500000 0.635472 Mn\n0.270942 0.500000 0.364528 Mn\n0.270942 0.229057 0.864528 Mn\n0.729057 0.770942 0.135472 Mn\n0.680342 0.500000 0.159829 N\n0.319657 0.500000 0.840171 N\n0.319657 0.180343 0.340171 N\n0.680342 0.819657 0.659829 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.006876536673334,
"density_atomic": 0.054778903840769215,
"volume": 182.55202822363702,
"volume_molar": 10.99354009986235,
"formula_full": "Ba2 Mn4 N4",
"formula_reduced": "Ba(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.872807390551724,
"spacegroup": 140
},
{
"id": "jvasp-3249",
"created_at": "2022-09-04T14:36:52.076844Z",
"updated_at": "2022-09-04T14:36:52.076857Z",
"structure_string": "Nd2 Se1 O2\n1.0\n2.004063 -3.471140 0.000000\n2.004063 3.471140 0.000000\n0.000000 0.000000 7.055047\nNd Se O\n2 1 2\ndirect\n0.666666 0.333332 0.712141 Nd\n0.333332 0.666666 0.287860 Nd\n0.000000 0.000000 0.000000 Se\n0.666666 0.333332 0.373975 O\n0.333332 0.666666 0.626026 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Se",
"O"
],
"chemical_system": "Nd-O-Se",
"density": 6.757565868906119,
"density_atomic": 0.05093972512658594,
"volume": 98.15522144210493,
"volume_molar": 11.822091197066523,
"formula_full": "Nd2 Se1 O2",
"formula_reduced": "Nd2SeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3816726733333329,
"spacegroup": 164
}
]
}