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_molar&page=4061",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4059",
"results": [
{
"id": "jvasp-47051",
"created_at": "2022-09-04T14:35:41.813283Z",
"updated_at": "2022-09-04T14:35:41.813312Z",
"structure_string": "Li3 Nb4 V1 O12\n1.0\n5.152476 0.002970 -0.006837\n-0.017511 5.619601 -0.025959\n-0.013319 -0.782419 7.566809\nLi Nb V O\n3 4 1 12\ndirect\n0.507674 0.937753 0.783398 Li\n0.996092 0.446572 0.782292 Li\n0.500491 0.936371 0.278332 Li\n0.010153 0.007231 0.998438 Nb\n0.493739 0.512396 0.491805 Nb\n0.996172 0.004556 0.504725 Nb\n0.507081 0.504003 0.986154 Nb\n0.998548 0.390303 0.303347 V\n0.697674 0.219577 0.909131 O\n0.830698 0.348641 0.548483 O\n0.175008 0.360472 0.061989 O\n0.649261 0.535199 0.235883 O\n0.363555 0.532877 0.737080 O\n0.139495 0.034177 0.741592 O\n0.174092 0.702803 0.405313 O\n0.324907 0.850368 0.049903 O\n0.854083 0.047084 0.240603 O\n0.306742 0.205337 0.406287 O\n0.805270 0.721306 0.917397 O\n0.669273 0.843771 0.547441 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Nb",
"V",
"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.817905119690178,
"density_atomic": 0.09132794244932702,
"volume": 218.99102797697353,
"volume_molar": 6.593973978272163,
"formula_full": "Li3 Nb4 V1 O12",
"formula_reduced": "Li3Nb4VO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.49473319,
"spacegroup": 1
},
{
"id": "jvasp-107764",
"created_at": "2022-09-04T14:35:51.910193Z",
"updated_at": "2022-09-04T14:35:51.910208Z",
"structure_string": "Fe3 Si1\n1.0\n2.832513 -0.000000 0.000000\n0.000000 2.832513 0.000000\n0.000000 0.000000 5.458978\nFe Si\n3 1\ndirect\n0.499999 0.499999 0.756148 Fe\n0.000000 0.000000 0.500000 Fe\n0.499999 0.499999 0.243853 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.41665870651065,
"density_atomic": 0.09132818434657235,
"volume": 43.798089588869885,
"volume_molar": 6.593956513081625,
"formula_full": "Fe3 Si1",
"formula_reduced": "Fe3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 3.308008775,
"spacegroup": 123
},
{
"id": "jvasp-119514",
"created_at": "2022-09-04T14:38:44.459557Z",
"updated_at": "2022-09-04T14:38:44.459587Z",
"structure_string": "Mg6 Cr4 N8\n1.0\n6.173331 0.007079 -0.066961\n-4.279837 5.868697 0.000000\n-0.017896 -0.013051 5.435834\nMg Cr N\n6 4 8\ndirect\n0.225375 0.990553 0.974523 Mg\n0.774624 0.765177 0.525476 Mg\n0.774624 0.009448 0.025477 Mg\n0.225375 0.234824 0.474523 Mg\n-0.000000 0.595509 0.749999 Mg\n-0.000000 0.404492 0.250000 Mg\n0.610302 0.433585 0.102515 Cr\n0.389698 0.823283 0.397484 Cr\n0.610301 0.176718 0.602515 Cr\n0.389698 0.566416 0.897484 Cr\n0.291324 0.735535 0.063883 N\n0.220037 0.945071 0.569953 N\n0.779962 0.725035 0.930045 N\n0.779963 0.054930 0.430046 N\n0.220037 0.274966 0.069954 N\n0.708675 0.264466 0.936116 N\n0.291324 0.555790 0.563883 N\n0.708676 0.444211 0.436116 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"N"
],
"chemical_system": "Cr-Mg-N",
"density": 3.925050511402054,
"density_atomic": 0.09132838490794604,
"volume": 197.0909703280421,
"volume_molar": 6.59394203244696,
"formula_full": "Mg6 Cr4 N8",
"formula_reduced": "Mg3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.560246105555556,
"spacegroup": 15
},
{
"id": "jvasp-48118",
"created_at": "2022-09-04T14:35:57.836409Z",
"updated_at": "2022-09-04T14:35:57.836435Z",
"structure_string": "Fe4 O4 F4\n1.0\n0.000000 4.622832 0.022939\n3.058633 0.000000 0.000000\n0.000000 -0.061978 -9.292739\nFe O F\n4 4 4\ndirect\n0.979337 0.000000 0.010212 Fe\n0.972779 0.000000 0.513986 Fe\n0.479704 0.500000 0.718306 Fe\n0.553933 0.500000 0.265288 Fe\n0.794142 0.500000 0.599906 O\n0.811056 0.500000 0.098575 O\n0.720397 0.000000 0.358732 O\n0.282264 0.000000 0.641264 O\n0.685171 0.000000 0.844204 F\n0.317948 0.000000 0.153990 F\n0.196956 0.500000 0.897644 F\n0.206311 0.500000 0.397894 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.592347767665945,
"density_atomic": 0.09133061853373103,
"volume": 131.39076678395705,
"volume_molar": 6.593780767811015,
"formula_full": "Fe4 O4 F4",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0955730941666666,
"spacegroup": 6
},
{
"id": "jvasp-98445",
"created_at": "2022-09-04T14:35:50.214715Z",
"updated_at": "2022-09-04T14:35:50.214747Z",
"structure_string": "K2 Al4 Ni2 P6 H8 O28\n1.0\n6.207349 5.041633 -2.032304\n-6.207349 5.041633 2.032304\n0.014260 0.000000 8.741808\nK Al Ni P H O\n2 4 2 6 8 28\ndirect\n0.863199 0.863199 0.250000 K\n0.136800 0.136800 0.750000 K\n0.404990 0.747780 0.927710 Al\n0.747780 0.404990 0.572290 Al\n0.595010 0.252220 0.072290 Al\n0.252220 0.595010 0.427710 Al\n0.777658 0.777658 0.750000 Ni\n0.222341 0.222341 0.250000 Ni\n0.498268 0.498268 0.250000 P\n0.501731 0.501731 0.750000 P\n0.916096 0.332964 0.324547 P\n0.667035 0.083903 0.824547 P\n0.083903 0.667035 0.675453 P\n0.332964 0.916096 0.175453 P\n0.024596 0.726794 0.999111 H\n0.975403 0.273205 0.000889 H\n0.273205 0.975403 0.499111 H\n0.726794 0.024596 0.500889 H\n0.131813 0.423362 0.953470 H\n0.423362 0.131813 0.546530 H\n0.868186 0.576637 0.046530 H\n0.576637 0.868186 0.453470 H\n0.961029 0.494333 0.656627 O\n0.494333 0.961029 0.843374 O\n0.181318 0.730773 0.533955 O\n0.730773 0.181318 0.966046 O\n0.818682 0.269227 0.466046 O\n0.269227 0.818682 0.033955 O\n0.380391 0.788740 0.336307 O\n0.788740 0.380391 0.163693 O\n0.619608 0.211260 0.663694 O\n0.211260 0.619608 0.836307 O\n0.651196 0.528909 0.388369 O\n0.528909 0.651196 0.111632 O\n0.348804 0.471090 0.611632 O\n-0.001288 0.189611 0.317789 O\n0.325630 0.473872 0.303112 O\n0.473872 0.325630 0.196888 O\n0.674369 0.526128 0.696888 O\n0.526128 0.674369 0.803113 O\n0.101136 0.303551 0.010877 O\n0.303551 0.101136 0.489123 O\n0.898863 0.696448 0.989123 O\n0.696448 0.898863 0.510877 O\n0.189611 -0.001288 0.182211 O\n0.505667 0.038971 0.156627 O\n0.810388 0.001287 0.817790 O\n0.001287 0.810388 0.682211 O\n0.471090 0.348804 0.888369 O\n0.038971 0.505667 0.343374 O\n",
"nsites": 50,
"nelements": 6,
"elements": [
"K",
"Al",
"Ni",
"P",
"H",
"O"
],
"chemical_system": "Al-H-K-Ni-O-P",
"density": 2.8676334049708743,
"density_atomic": 0.09133336731127084,
"volume": 547.44505181328,
"volume_molar": 6.593582320770131,
"formula_full": "K2 Al4 Ni2 P6 H8 O28",
"formula_reduced": "KAl2NiP3(H2O7)2",
"formula_anonymous": "ABC2D3E4F14",
"energy_above_hull": 2.79925846,
"spacegroup": 15
},
{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 1.9235703605877268,
"density_atomic": 0.09133917317439927,
"volume": 197.0676914890782,
"volume_molar": 6.593163207752683,
"formula_full": "K2 H6 C4 O6",
"formula_reduced": "KH3C2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.3149231666666665,
"spacegroup": 2
},
{
"id": "jvasp-56551",
"created_at": "2022-09-04T14:38:20.285674Z",
"updated_at": "2022-09-04T14:38:20.285697Z",
"structure_string": "Ta2 N2\n1.0\n1.461221 -2.530910 0.000000\n1.461221 2.530910 0.000000\n-0.000000 -0.000000 5.920665\nTa N\n2 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.333333 0.666667 0.750001 N\n0.666667 0.333333 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.784935840675361,
"density_atomic": 0.09134123937061159,
"volume": 43.79182970980107,
"volume_molar": 6.5930140662592995,
"formula_full": "Ta2 N2",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy_above_hull": 3.408351225,
"spacegroup": 194
},
{
"id": "jvasp-117927",
"created_at": "2022-09-04T14:38:53.211526Z",
"updated_at": "2022-09-04T14:38:53.211561Z",
"structure_string": "Tl1 C2 N1\n1.0\n3.013461 -0.000000 0.000000\n-0.000000 3.013461 0.000000\n-0.000000 -0.000000 4.822171\nTl C N\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Tl\n0.000000 0.499999 -0.156857 C\n0.499999 0.000000 0.156857 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"C",
"N"
],
"chemical_system": "C-N-Tl",
"density": 9.19238869220865,
"density_atomic": 0.09134530578057519,
"volume": 43.7898802332392,
"volume_molar": 6.592720565702703,
"formula_full": "Tl1 C2 N1",
"formula_reduced": "TlC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7672614625000005,
"spacegroup": 115
},
{
"id": "jvasp-48071",
"created_at": "2022-09-04T14:38:19.061255Z",
"updated_at": "2022-09-04T14:38:19.061277Z",
"structure_string": "V8 O8 F8\n1.0\n0.000000 5.529881 -0.038370\n4.606296 0.000000 0.000000\n0.000000 -1.136600 -10.306782\nV O F\n8 8 8\ndirect\n0.383825 0.481452 0.140625 V\n0.616175 0.518549 0.859375 V\n0.874212 0.523853 0.607551 V\n0.125788 0.476148 0.392449 V\n0.874212 0.976148 0.107551 V\n0.383825 0.018548 0.640625 V\n0.616175 0.981453 0.359375 V\n0.125788 0.023853 0.892449 V\n0.152580 0.205880 0.055886 O\n0.392766 0.200776 0.807003 O\n0.152580 0.294120 0.555886 O\n0.392766 0.299224 0.307004 O\n0.847420 0.705881 0.444114 O\n0.607234 0.700776 0.692996 O\n0.847420 0.794121 0.944113 O\n0.607234 0.799225 0.192996 O\n0.349653 0.800891 0.456444 F\n0.105828 0.799895 0.709956 F\n0.349653 0.699111 0.956444 F\n0.105828 0.700107 0.209956 F\n0.894172 0.299894 0.790044 F\n0.650347 0.300890 0.043556 F\n0.650347 0.199110 0.543556 F\n0.894172 0.200106 0.290044 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.34518238519075,
"density_atomic": 0.09134574863716406,
"volume": 262.73800760373416,
"volume_molar": 6.592688603298489,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0622526608333331,
"spacegroup": 14
},
{
"id": "jvasp-101683",
"created_at": "2022-09-04T14:36:46.364503Z",
"updated_at": "2022-09-04T14:36:46.364526Z",
"structure_string": "Ti1 Mo1 O4\n1.0\n4.750553 -0.051844 0.000000\n-0.084855 4.750078 0.000000\n0.000000 0.000000 2.911374\nTi Mo O\n1 1 4\ndirect\n0.499999 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mo\n0.207045 0.792954 0.499999 O\n0.792953 0.207047 0.499999 O\n0.300060 0.300061 -0.000000 O\n0.699938 0.699941 -0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"Mo",
"O"
],
"chemical_system": "Mo-O-Ti",
"density": 5.253467160633552,
"density_atomic": 0.09134673264299027,
"volume": 65.68379433394463,
"volume_molar": 6.5926175854984175,
"formula_full": "Ti1 Mo1 O4",
"formula_reduced": "TiMoO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.1604163722222234,
"spacegroup": 65
},
{
"id": "jvasp-107392",
"created_at": "2022-09-04T14:36:53.298620Z",
"updated_at": "2022-09-04T14:36:53.298652Z",
"structure_string": "Li2 Mn2 F6\n1.0\n5.136196 -0.000000 0.000000\n-2.568097 4.448076 0.000000\n-0.000000 -0.000000 4.791277\nLi Mn F\n2 2 6\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333334 0.666667 0.750000 Mn\n0.666667 0.333334 0.250000 Mn\n0.309843 0.000000 0.500000 F\n-0.000000 0.309843 0.500000 F\n0.309843 0.309843 -0.000000 F\n0.690158 0.690158 0.500000 F\n-0.000000 0.690158 -0.000000 F\n0.690158 0.000000 -0.000000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.606632010428701,
"density_atomic": 0.09135554926049257,
"volume": 109.46242544594475,
"volume_molar": 6.591981339664851,
"formula_full": "Li2 Mn2 F6",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.412747617775862,
"spacegroup": 182
},
{
"id": "jvasp-17625",
"created_at": "2022-09-04T14:37:32.579050Z",
"updated_at": "2022-09-04T14:37:32.579075Z",
"structure_string": "Mn3 Ge1 C1\n1.0\n3.796652 -0.000000 -0.000000\n-0.000000 3.796652 -0.000000\n-0.000000 -0.000000 3.796652\nMn Ge C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"C"
],
"chemical_system": "C-Ge-Mn",
"density": 7.569305917747679,
"density_atomic": 0.0913624273095047,
"volume": 54.72709238625752,
"volume_molar": 6.591485074711342,
"formula_full": "Mn3 Ge1 C1",
"formula_reduced": "Mn3GeC",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.157295534827586,
"spacegroup": 221
}
]
}