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=energy_above_hull&page=3858",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3856",
"results": [
{
"id": "jvasp-105330",
"created_at": "2022-09-04T14:37:01.502962Z",
"updated_at": "2022-09-04T14:37:01.502995Z",
"structure_string": "Zr1 U1 S2\n1.0\n3.654619 0.025860 5.469325\n1.678302 3.246569 5.469325\n0.042142 0.025860 6.577840\nZr U S\n1 1 2\ndirect\n0.499999 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 U\n0.245626 0.245627 0.245626 S\n0.754373 0.754374 0.754373 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 8.512380039820322,
"density_atomic": 0.052125041039660515,
"volume": 76.73854869402423,
"volume_molar": 11.553258548838203,
"formula_full": "Zr1 U1 S2",
"formula_reduced": "ZrUS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1223426250000004,
"spacegroup": 166
},
{
"id": "jvasp-15005",
"created_at": "2022-09-04T14:35:40.758880Z",
"updated_at": "2022-09-04T14:35:40.758905Z",
"structure_string": "Pr2 Ru4\n1.0\n4.712394 -0.000000 2.720702\n1.570798 4.442887 2.720702\n-0.000000 -0.000000 5.441403\nPr Ru\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.875001 0.874999 Pr\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.499999 Ru\n0.500000 0.500000 0.499999 Ru\n0.500000 0.500000 -0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Ru"
],
"chemical_system": "Pr-Ru",
"density": 10.000363540496396,
"density_atomic": 0.05266638344223019,
"volume": 113.9246632832005,
"volume_molar": 11.434505972117286,
"formula_full": "Pr2 Ru4",
"formula_reduced": "PrRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.122400283333333,
"spacegroup": 227
},
{
"id": "jvasp-98504",
"created_at": "2022-09-04T14:35:52.031220Z",
"updated_at": "2022-09-04T14:35:52.031255Z",
"structure_string": "Mn6 Se6 O20\n1.0\n6.465604 0.000000 2.381019\n2.351568 6.920461 3.583478\n0.165730 -0.135313 9.519075\nMn Se O\n6 6 20\ndirect\n0.000001 0.499999 0.000000 Mn\n0.500001 0.499999 0.000000 Mn\n0.621749 0.839970 0.916532 Mn\n0.378250 0.160031 0.083467 Mn\n-0.000000 0.000001 0.500000 Mn\n0.500000 0.000001 0.500000 Mn\n0.882650 0.071327 0.163372 Se\n0.872345 0.585503 0.669806 Se\n0.127655 0.414498 0.330193 Se\n0.519361 0.296950 0.664329 Se\n0.480639 0.703051 0.335671 Se\n0.117350 0.928673 0.836628 Se\n0.937774 0.501850 0.215272 O\n0.062225 0.498151 0.784727 O\n0.654895 0.498151 0.784727 O\n0.345105 0.501850 0.215273 O\n0.704768 0.574719 0.015743 O\n0.397542 0.214614 0.588709 O\n0.200865 0.785386 0.411291 O\n0.947437 0.784181 0.925162 O\n0.656781 0.215819 0.074838 O\n0.052563 0.215819 0.074838 O\n0.343218 0.784181 0.925161 O\n0.491045 0.879507 0.138406 O\n0.508957 0.120493 0.861593 O\n0.748319 0.830006 0.673354 O\n0.251680 0.169995 0.326646 O\n0.221668 0.910622 0.646042 O\n0.778331 0.089378 0.353959 O\n0.295231 0.425281 0.984256 O\n0.799134 0.214614 0.588709 O\n0.602458 0.785386 0.411292 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.383246895671879,
"density_atomic": 0.07519198831056999,
"volume": 425.5772552233687,
"volume_molar": 8.00901917252991,
"formula_full": "Mn6 Se6 O20",
"formula_reduced": "Mn3Se3O10",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 3.1224185515086207,
"spacegroup": 12
},
{
"id": "jvasp-115424",
"created_at": "2022-09-04T14:38:46.572886Z",
"updated_at": "2022-09-04T14:38:46.572908Z",
"structure_string": "As3 N1\n1.0\n4.529956 0.080990 -0.884920\n-1.723211 -2.262148 -0.142096\n0.753891 -0.441561 -7.801254\nAs N\n3 1\ndirect\n0.069730 -0.261501 0.051606 As\n0.428203 0.114686 0.446892 As\n0.735376 0.399626 0.681928 As\n0.253464 0.407364 0.141736 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"As",
"N"
],
"chemical_system": "As-N",
"density": 5.191102534928238,
"density_atomic": 0.05237065592122006,
"volume": 76.37865002143768,
"volume_molar": 11.499074537196867,
"formula_full": "As3 N1",
"formula_reduced": "As3N",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1224371250000003,
"spacegroup": 1
},
{
"id": "jvasp-97639",
"created_at": "2022-09-04T14:36:11.660558Z",
"updated_at": "2022-09-04T14:36:11.660579Z",
"structure_string": "Li12 Nd12 W8 O48\n1.0\n10.233161 0.000000 -3.617969\n-5.116580 8.862177 -3.617969\n0.000000 -0.000000 10.853906\nLi Nd W O\n12 12 8 48\ndirect\n0.125000 0.750000 0.875000 Li\n0.750000 0.875000 0.125000 Li\n0.750000 0.375000 0.625000 Li\n0.125000 0.875000 0.250000 Li\n0.375000 0.250000 0.625000 Li\n0.250000 0.125000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.250000 0.625000 0.375000 Li\n0.375000 0.625000 0.750000 Li\n0.625000 0.750000 0.375000 Li\n0.875000 0.125000 0.750000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.250000 0.375000 Nd\n0.875000 0.750000 0.625000 Nd\n0.625000 0.250000 0.875000 Nd\n0.750000 0.125000 0.375000 Nd\n0.625000 0.875000 0.750000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.625000 0.250000 Nd\n0.125000 0.375000 0.750000 Nd\n0.375000 0.750000 0.125000 Nd\n0.750000 0.625000 0.875000 Nd\n0.375000 0.125000 0.250000 Nd\n0.250000 0.375000 0.125000 Nd\n0.500000 -0.000000 -0.000000 W\n0.500000 0.500000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n-0.000000 0.000000 0.500000 W\n0.591296 0.172552 0.477000 O\n0.918744 0.114297 0.591296 O\n0.385703 0.581256 0.908704 O\n0.976999 0.804448 0.885703 O\n0.614297 0.418745 0.091296 O\n0.091296 0.977000 0.672552 O\n0.976999 0.672552 0.091296 O\n0.695552 0.523001 0.614297 O\n0.114297 0.023001 0.195552 O\n0.672552 0.081255 0.695552 O\n0.418745 0.827449 0.804448 O\n0.581256 0.908704 0.385703 O\n0.591296 0.918745 0.114297 O\n0.523001 0.614297 0.695552 O\n0.918745 0.304448 0.327448 O\n0.885703 0.408704 0.081255 O\n0.827448 0.523001 0.408704 O\n0.081256 0.885703 0.408704 O\n0.804448 0.885703 0.977000 O\n0.908704 0.023001 0.327448 O\n0.908704 0.385703 0.581256 O\n0.304448 0.327448 0.918745 O\n0.804448 0.418745 0.827449 O\n0.172552 0.477000 0.591296 O\n0.672552 0.091296 0.977000 O\n0.304448 0.477000 0.385703 O\n0.385703 0.304448 0.477000 O\n0.581255 0.172552 0.195552 O\n0.408704 0.081255 0.885703 O\n0.476999 0.385703 0.304448 O\n0.023001 0.327448 0.908704 O\n0.091296 0.614297 0.418745 O\n0.827448 0.804448 0.418745 O\n0.081256 0.695552 0.672552 O\n0.523001 0.408704 0.827449 O\n0.614297 0.695552 0.523001 O\n0.195552 0.114297 0.023001 O\n0.695552 0.672552 0.081255 O\n0.195552 0.581256 0.172552 O\n0.327448 0.908704 0.023001 O\n0.114297 0.591296 0.918745 O\n0.172552 0.195552 0.581256 O\n0.023001 0.195552 0.114297 O\n0.327448 0.918745 0.304448 O\n0.885703 0.977000 0.804448 O\n0.476999 0.591296 0.172552 O\n0.418745 0.091296 0.614297 O\n0.408704 0.827449 0.523001 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Nd",
"W",
"O"
],
"chemical_system": "Li-Nd-O-W",
"density": 6.83718500181463,
"density_atomic": 0.08127438730062377,
"volume": 984.3199396150478,
"volume_molar": 7.409641536545648,
"formula_full": "Li12 Nd12 W8 O48",
"formula_reduced": "Li3Nd3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.122635825,
"spacegroup": 230
},
{
"id": "jvasp-107337",
"created_at": "2022-09-04T14:36:50.329647Z",
"updated_at": "2022-09-04T14:36:50.329666Z",
"structure_string": "Hf1 Ti1\n1.0\n3.080936 -0.000000 0.000000\n-1.540467 2.668169 0.000000\n-0.000000 -0.000000 4.800532\nHf Ti\n1 1\ndirect\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 -0.000000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ti"
],
"chemical_system": "Hf-Ti",
"density": 9.524839077561557,
"density_atomic": 0.05068093468392549,
"volume": 39.46257132929992,
"volume_molar": 11.882457964829223,
"formula_full": "Hf1 Ti1",
"formula_reduced": "HfTi",
"formula_anonymous": "AB",
"energy_above_hull": 3.122845666666666,
"spacegroup": 187
},
{
"id": "jvasp-117476",
"created_at": "2022-09-04T14:38:51.270985Z",
"updated_at": "2022-09-04T14:38:51.271007Z",
"structure_string": "B1 H2\n1.0\n5.426526 0.000000 0.000000\n0.000000 2.314829 0.000000\n0.000000 0.000000 1.713042\nB H\n1 2\ndirect\n0.466602 0.000000 0.000000 B\n-0.033301 0.000000 0.784723 H\n-0.033301 0.000000 0.215275 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.9898316025380568,
"density_atomic": 0.13941594311104136,
"volume": 21.518342400844173,
"volume_molar": 4.319549561991999,
"formula_full": "B1 H2",
"formula_reduced": "BH2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.122870861111111,
"spacegroup": 47
},
{
"id": "jvasp-27195",
"created_at": "2022-09-04T14:38:11.695103Z",
"updated_at": "2022-09-04T14:38:11.695130Z",
"structure_string": "Os2 O8\n1.0\n4.435081 0.000983 0.009280\n2.215876 4.664501 -0.013722\n2.200422 0.895414 7.604318\nOs O\n2 8\ndirect\n0.744753 0.249936 0.749995 Os\n0.255248 0.750062 0.250005 Os\n0.090251 0.952347 0.807718 O\n0.850457 0.547524 0.692294 O\n0.909750 0.047651 0.192282 O\n0.149544 0.452474 0.307707 O\n0.637455 0.189024 0.573891 O\n0.400490 0.310872 0.926071 O\n0.362546 0.810974 0.426109 O\n0.599511 0.689126 0.073929 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Os",
"O"
],
"chemical_system": "O-Os",
"density": 5.368367990953019,
"density_atomic": 0.06358292275144345,
"volume": 157.27493432618246,
"volume_molar": 9.471317925320266,
"formula_full": "Os2 O8",
"formula_reduced": "OsO4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.122891800000001,
"spacegroup": 15
},
{
"id": "jvasp-18667",
"created_at": "2022-09-04T14:36:35.298805Z",
"updated_at": "2022-09-04T14:36:35.298827Z",
"structure_string": "Ta1 Ga1 Co2\n1.0\n3.637621 0.000000 2.100182\n1.212540 3.429582 2.100182\n-0.000000 0.000000 4.200363\nTa Ga Co\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ta\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.749999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ta",
"density": 11.678445762903502,
"density_atomic": 0.0763333860551306,
"volume": 52.40171053215251,
"volume_molar": 7.889261922234922,
"formula_full": "Ta1 Ga1 Co2",
"formula_reduced": "TaGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.122990831249999,
"spacegroup": 225
},
{
"id": "jvasp-21703",
"created_at": "2022-09-04T14:38:36.415878Z",
"updated_at": "2022-09-04T14:38:36.415898Z",
"structure_string": "Ti6 Si6 Ru6\n1.0\n5.840039 0.000000 -2.859786\n-1.662578 6.014109 -3.395191\n0.000875 -0.020359 7.394721\nTi Si Ru\n6 6 6\ndirect\n0.045061 0.026068 0.552133 Ti\n0.100732 0.554671 0.609341 Ti\n0.920617 0.753351 0.006703 Ti\n0.491391 0.445329 0.390659 Ti\n0.492926 0.973932 0.447866 Ti\n0.913913 0.246649 0.993296 Ti\n0.538638 0.781865 0.063729 Si\n0.474908 0.218135 0.936270 Si\n0.827412 0.338705 0.664996 Si\n0.162415 0.661294 0.335003 Si\n0.162415 0.173708 0.335002 Si\n0.827412 0.826292 0.664997 Si\n0.496880 0.408910 0.746913 Ru\n0.245327 0.500000 -0.000000 Ru\n0.245328 -0.000000 -0.000000 Ru\n0.496881 0.838000 0.746913 Ru\n0.749967 0.591090 0.253086 Ru\n0.749968 0.162000 0.253086 Ru\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Ti",
"density": 6.8035009997627665,
"density_atomic": 0.06943463236966663,
"volume": 259.2366285482563,
"volume_molar": 8.673108151474633,
"formula_full": "Ti6 Si6 Ru6",
"formula_reduced": "TiSiRu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.123135811111111,
"spacegroup": 46
},
{
"id": "jvasp-121343",
"created_at": "2022-09-04T14:38:53.033517Z",
"updated_at": "2022-09-04T14:38:53.033535Z",
"structure_string": "Nd1 Mn5 Cu2 O12\n1.0\n5.990933 -0.087141 -2.130637\n-2.952571 5.202970 -2.156365\n-0.025627 0.087141 6.358478\nNd Mn Cu O\n1 5 2 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.499999 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.127133 0.304144 0.822988 O\n0.481156 0.304145 0.177011 O\n0.821281 0.120585 0.299304 O\n0.178718 0.478023 0.299304 O\n0.821281 0.521977 0.700695 O\n0.303467 0.181400 0.484867 O\n0.696532 0.181400 0.877932 O\n0.696532 0.818600 0.515132 O\n0.872866 0.695855 0.177010 O\n0.303467 0.818600 0.122066 O\n0.178718 0.879415 0.700695 O\n0.518843 0.695855 0.822988 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-Nd-O",
"density": 6.191084684849506,
"density_atomic": 0.10103719068575245,
"volume": 197.94691305505842,
"volume_molar": 5.960320867125218,
"formula_full": "Nd1 Mn5 Cu2 O12",
"formula_reduced": "NdMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.1233875303448277,
"spacegroup": 71
},
{
"id": "jvasp-92388",
"created_at": "2022-09-04T14:35:41.024462Z",
"updated_at": "2022-09-04T14:35:41.024471Z",
"structure_string": "Os1 O4\n1.0\n3.938134 -0.000391 -2.055513\n-1.041247 3.831853 -1.993860\n0.168018 0.136554 5.122487\nOs O\n1 4\ndirect\n-0.000004 0.000001 0.000004 Os\n0.347567 0.896905 0.244327 O\n0.896604 0.347422 0.243982 O\n0.103292 0.103157 0.755728 O\n0.652538 0.652512 0.755960 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Os",
"O"
],
"chemical_system": "O-Os",
"density": 5.277856017010481,
"density_atomic": 0.06251089939965987,
"volume": 79.98605120097193,
"volume_molar": 9.6337451833764,
"formula_full": "Os1 O4",
"formula_reduced": "OsO4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.1237858000000003,
"spacegroup": 121
}
]
}