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=nelements&page=3570",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3568",
"results": [
{
"id": "jvasp-103793",
"created_at": "2022-09-04T14:36:42.116052Z",
"updated_at": "2022-09-04T14:36:42.116075Z",
"structure_string": "H18 C16 N2\n1.0\n5.260260 -0.023842 -1.056874\n-1.461076 6.735197 -1.960450\n-0.355180 -0.035289 8.934371\nH C N\n18 16 2\ndirect\n0.582699 0.359713 0.261419 H\n0.727836 0.069615 0.118191 H\n0.314316 0.538746 0.644874 H\n0.314356 0.538729 0.144871 H\n0.452554 0.244772 0.001855 H\n0.452565 0.244803 0.501881 H\n0.820832 0.799957 0.263557 H\n0.820738 0.799961 0.763506 H\n0.374013 0.943779 0.789782 H\n0.727791 0.069638 0.618197 H\n0.641204 0.607781 0.005185 H\n0.641149 0.607745 0.505147 H\n0.180560 0.937683 0.597817 H\n0.180646 0.937685 0.097850 H\n0.071342 0.668132 0.279110 H\n0.071248 0.668137 0.779097 H\n0.582705 0.359752 0.761447 H\n0.374077 0.943807 0.289829 H\n0.856659 0.171488 0.734735 C\n0.856686 0.171473 0.234731 C\n0.774984 0.335103 0.813588 C\n0.774982 0.335079 0.313572 C\n0.973274 0.754315 0.708193 C\n0.973351 0.754320 0.208225 C\n0.100182 0.132623 0.802008 C\n0.100216 0.132628 0.302019 C\n0.260899 0.269659 0.448577 C\n0.934366 0.469811 0.464703 C\n0.260890 0.269642 0.948563 C\n0.184377 0.437944 0.028777 C\n0.184356 0.437952 0.528777 C\n0.174317 0.943905 0.721480 C\n0.174382 0.943917 0.221511 C\n0.934392 0.469822 0.964718 C\n0.839898 0.626248 0.042483 N\n0.839846 0.626229 0.542452 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.2633331729377975,
"density_atomic": 0.11492039487767408,
"volume": 313.2603228375595,
"volume_molar": 5.24027155180785,
"formula_full": "H18 C16 N2",
"formula_reduced": "H9C8N",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.345961847222222,
"spacegroup": 1
},
{
"id": "jvasp-101431",
"created_at": "2022-09-04T14:36:42.118932Z",
"updated_at": "2022-09-04T14:36:42.118966Z",
"structure_string": "Tb1 Bi1 Pt1\n1.0\n4.134700 0.000000 2.387170\n1.378233 3.898232 2.387170\n0.000000 0.000000 4.774340\nTb Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Pt"
],
"chemical_system": "Bi-Pt-Tb",
"density": 12.148553079036027,
"density_atomic": 0.03898488206804956,
"volume": 76.95290689255873,
"volume_molar": 15.447374573272098,
"formula_full": "Tb1 Bi1 Pt1",
"formula_reduced": "TbBiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1140013666666666,
"spacegroup": 216
},
{
"id": "jvasp-100398",
"created_at": "2022-09-04T14:36:42.120219Z",
"updated_at": "2022-09-04T14:36:42.120243Z",
"structure_string": "Fe3 Ni1 P4\n1.0\n3.271367 0.000000 0.000000\n0.000000 5.067335 0.031246\n0.000000 -0.002879 5.664395\nFe Ni P\n3 1 4\ndirect\n0.500000 0.997729 0.200706 Fe\n0.000000 0.500159 0.705270 Fe\n0.000000 0.998897 0.798716 Fe\n0.500000 0.499296 0.301080 Ni\n0.500000 0.704073 0.911137 P\n0.500000 0.188599 0.583033 P\n0.000000 0.295014 0.074901 P\n0.000000 0.816237 0.425165 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"P"
],
"chemical_system": "Fe-Ni-P",
"density": 6.191651695662952,
"density_atomic": 0.08519737429538983,
"volume": 93.8996074252595,
"volume_molar": 7.068458165295674,
"formula_full": "Fe3 Ni1 P4",
"formula_reduced": "Fe3NiP4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.3138738625000004,
"spacegroup": 6
},
{
"id": "jvasp-101403",
"created_at": "2022-09-04T14:36:42.175708Z",
"updated_at": "2022-09-04T14:36:42.175731Z",
"structure_string": "Li2 Cd1 Ag1\n1.0\n3.939279 0.000000 2.274343\n1.313093 3.713988 2.274343\n0.000000 0.000000 4.548688\nLi Cd Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.749999 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Li",
"density": 5.842794965634258,
"density_atomic": 0.06010583090115431,
"volume": 66.54928382203234,
"volume_molar": 10.019228866336737,
"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1974233333333333,
"spacegroup": 225
},
{
"id": "jvasp-12261",
"created_at": "2022-09-04T14:36:42.188446Z",
"updated_at": "2022-09-04T14:36:42.188472Z",
"structure_string": "Ni3 Te1 O6\n1.0\n4.539662 -0.007465 3.067250\n1.625433 4.238698 3.067250\n-0.010877 -0.007466 5.478726\nNi Te O\n3 1 6\ndirect\n0.011803 0.011803 0.011803 Ni\n0.217219 0.217220 0.217220 Ni\n0.507761 0.507763 0.507763 Ni\n0.710666 0.710668 0.710669 Te\n0.099220 0.811010 0.427711 O\n0.811009 0.427711 0.099221 O\n0.427709 0.099221 0.811011 O\n0.317950 0.613008 0.915222 O\n0.915220 0.317952 0.613009 O\n0.613007 0.915222 0.317952 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Te",
"density": 6.279012576373093,
"density_atomic": 0.09460923552141011,
"volume": 105.69792626362567,
"volume_molar": 6.3652778999965465,
"formula_full": "Ni3 Te1 O6",
"formula_reduced": "Ni3TeO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.1252005966666663,
"spacegroup": 146
},
{
"id": "jvasp-50886",
"created_at": "2022-09-04T14:36:42.188861Z",
"updated_at": "2022-09-04T14:36:42.188872Z",
"structure_string": "Li2 Bi6 O12\n1.0\n6.712723 -0.126934 -0.129915\n-0.279310 6.708109 -0.129918\n-0.279313 -0.285726 6.703280\nLi Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.085728 0.567234 0.258954 Bi\n0.258954 0.085728 0.567234 Bi\n0.432766 0.741046 0.914271 Bi\n0.567234 0.258954 0.085728 Bi\n0.741046 0.914272 0.432765 Bi\n0.914272 0.432766 0.741045 Bi\n0.808930 0.590654 0.466145 O\n0.683755 0.920627 0.087115 O\n0.590654 0.466145 0.808930 O\n0.533854 0.191070 0.409346 O\n0.466146 0.808930 0.590653 O\n0.079374 0.912885 0.316244 O\n0.316245 0.079373 0.912884 O\n0.191070 0.409346 0.533854 O\n0.920627 0.087115 0.683755 O\n0.087116 0.683755 0.920626 O\n0.409347 0.533855 0.191069 O\n0.912884 0.316245 0.079373 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 8.05039304653514,
"density_atomic": 0.06642282718840327,
"volume": 301.10130577958586,
"volume_molar": 9.066372232122339,
"formula_full": "Li2 Bi6 O12",
"formula_reduced": "Li(BiO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.00997739,
"spacegroup": 148
},
{
"id": "jvasp-15139",
"created_at": "2022-09-04T14:36:42.210943Z",
"updated_at": "2022-09-04T14:36:42.210952Z",
"structure_string": "Er1 B2 Ru3\n1.0\n2.742801 -4.750671 -0.000000\n2.742801 4.750671 -0.000000\n-0.000000 0.000000 3.031742\nEr B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 -0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"B",
"Ru"
],
"chemical_system": "B-Er-Ru",
"density": 10.342440461869193,
"density_atomic": 0.07594160301832742,
"volume": 79.0080767527647,
"volume_molar": 7.929962656367213,
"formula_full": "Er1 B2 Ru3",
"formula_reduced": "ErB2Ru3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.327019444444446,
"spacegroup": 191
},
{
"id": "jvasp-15289",
"created_at": "2022-09-04T14:36:42.220192Z",
"updated_at": "2022-09-04T14:36:42.220224Z",
"structure_string": "Sm1 Si2 Ni2\n1.0\n3.764885 0.000000 -1.451690\n-0.559753 3.723042 -1.451690\n-0.014076 -0.016351 5.571358\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.629153 0.629152 0.258305 Si\n0.370848 0.370848 0.741696 Si\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Sm",
"density": 6.903483513771315,
"density_atomic": 0.06417330178927687,
"volume": 77.91402126102669,
"volume_molar": 9.384184064230709,
"formula_full": "Sm1 Si2 Ni2",
"formula_reduced": "Sm(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9410961749999995,
"spacegroup": 139
},
{
"id": "jvasp-15285",
"created_at": "2022-09-04T14:36:42.225955Z",
"updated_at": "2022-09-04T14:36:42.225978Z",
"structure_string": "Zr1 Al1 Co2\n1.0\n3.714379 -0.000000 2.144498\n1.238126 3.501950 2.144498\n-0.000000 -0.000000 4.288995\nZr Al Co\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Zr\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Co\n0.750001 0.750000 0.750001 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Co"
],
"chemical_system": "Al-Co-Zr",
"density": 7.026543661393727,
"density_atomic": 0.07169820698422828,
"volume": 55.78940071513775,
"volume_molar": 8.399290600565104,
"formula_full": "Zr1 Al1 Co2",
"formula_reduced": "ZrAlCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.999387275,
"spacegroup": 225
},
{
"id": "jvasp-100713",
"created_at": "2022-09-04T14:36:42.240043Z",
"updated_at": "2022-09-04T14:36:42.240062Z",
"structure_string": "Er2 Tc1 Ag1\n1.0\n4.242590 -0.000000 2.449461\n1.414197 3.999953 2.449461\n-0.000000 -0.000000 4.898921\nEr Tc Ag\n2 1 1\ndirect\n0.750001 0.750000 0.749999 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tc",
"Ag"
],
"chemical_system": "Ag-Er-Tc",
"density": 10.79361588989248,
"density_atomic": 0.04811423698145365,
"volume": 83.13547612823746,
"volume_molar": 12.516338484846644,
"formula_full": "Er2 Tc1 Ag1",
"formula_reduced": "Er2TcAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.92200219,
"spacegroup": 225
},
{
"id": "jvasp-7656",
"created_at": "2022-09-04T14:36:42.315467Z",
"updated_at": "2022-09-04T14:36:42.315489Z",
"structure_string": "Ba1 Cu2 Se2\n1.0\n3.908628 0.000000 -1.145050\n-0.335447 3.894206 -1.145050\n-0.010147 -0.011059 7.208939\nBa Cu Se\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.249999 0.750001 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.635948 0.635949 0.271896 Se\n0.364051 0.364052 0.728104 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Se"
],
"chemical_system": "Ba-Cu-Se",
"density": 6.397166355973579,
"density_atomic": 0.045608665401635246,
"volume": 109.62829006219356,
"volume_molar": 13.203939880652774,
"formula_full": "Ba1 Cu2 Se2",
"formula_reduced": "Ba(CuSe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.1790147206666668,
"spacegroup": 139
},
{
"id": "jvasp-102443",
"created_at": "2022-09-04T14:36:42.343120Z",
"updated_at": "2022-09-04T14:36:42.343130Z",
"structure_string": "Cr1 Mo1 F6\n1.0\n4.894154 0.151434 -2.422951\n-1.328676 4.141306 -2.424715\n-0.068805 -0.096270 4.978656\nCr Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.499999 0.500000 -0.000001 Mo\n0.755701 0.606006 0.514392 F\n0.244296 0.393994 0.485607 F\n0.244419 0.091678 0.850329 F\n0.755578 0.908322 0.149670 F\n0.755551 0.241510 0.847201 F\n0.244446 0.758490 0.152798 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Mo",
"F"
],
"chemical_system": "Cr-F-Mo",
"density": 4.358431963831194,
"density_atomic": 0.08016627218446268,
"volume": 99.79259084907918,
"volume_molar": 7.512062861228033,
"formula_full": "Cr1 Mo1 F6",
"formula_reduced": "CrMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.117311874375,
"spacegroup": 148
}
]
}