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=updated_at&page=3424",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=3422",
"results": [
{
"id": "jvasp-91610",
"created_at": "2022-09-04T14:38:08.147218Z",
"updated_at": "2022-09-04T14:38:08.147237Z",
"structure_string": "Hf1 V1 F6\n1.0\n4.984168 0.000000 2.877611\n1.661389 4.699119 2.877611\n-0.000000 0.000000 5.755222\nHf V F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.753640 0.753640 0.246360 F\n0.246360 0.753640 0.246360 F\n0.246360 0.246360 0.753639 F\n0.753640 0.246360 0.246360 F\n0.246360 0.753640 0.753639 F\n0.753640 0.246360 0.753639 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"V",
"F"
],
"chemical_system": "F-Hf-V",
"density": 4.230638448958741,
"density_atomic": 0.059349735887451405,
"volume": 134.7941971497716,
"volume_molar": 10.146870360838944,
"formula_full": "Hf1 V1 F6",
"formula_reduced": "HfVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8716523618750001,
"spacegroup": 225
},
{
"id": "jvasp-47035",
"created_at": "2022-09-04T14:38:08.150677Z",
"updated_at": "2022-09-04T14:38:08.150705Z",
"structure_string": "Li3 Ni3 O1 F7\n1.0\n-0.032813 4.183145 4.183145\n4.183145 -0.032813 4.183145\n4.183145 4.183145 -0.032813\nLi Ni O F\n3 3 1 7\ndirect\n-0.000408 -0.000408 -0.000408 Li\n0.254855 0.254855 0.254855 Li\n0.623919 0.623919 0.623919 Li\n0.614678 0.133766 0.614678 Ni\n0.614678 0.614678 0.133766 Ni\n0.133766 0.614678 0.614678 Ni\n0.386727 0.386727 0.386727 O\n0.859099 0.383105 0.383105 F\n0.383105 0.859099 0.383105 F\n0.383105 0.383105 0.859099 F\n0.867581 0.867581 0.394198 F\n0.867581 0.394198 0.867581 F\n0.394198 0.867581 0.867581 F\n0.867127 0.867127 0.867127 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.8776633077821083,
"density_atomic": 0.09451685083009256,
"volume": 148.12173572273355,
"volume_molar": 6.371499586698726,
"formula_full": "Li3 Ni3 O1 F7",
"formula_reduced": "Li3Ni3OF7",
"formula_anonymous": "AB3C3D7",
"energy_above_hull": 0.42451519125,
"spacegroup": 160
},
{
"id": "jvasp-86207",
"created_at": "2022-09-04T14:38:08.159982Z",
"updated_at": "2022-09-04T14:38:08.159991Z",
"structure_string": "Dy3 In3 Ni3\n1.0\n7.418912 -0.000000 0.000000\n-3.709456 6.424966 0.000000\n0.000000 0.000000 3.787481\nDy In Ni\n3 3 3\ndirect\n0.410164 0.410165 0.500000 Dy\n0.589836 0.000000 0.500000 Dy\n-0.000000 0.589836 0.500000 Dy\n0.744762 0.744763 0.000000 In\n-0.000000 0.255238 0.000000 In\n0.255238 0.000000 0.000000 In\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"In",
"Ni"
],
"chemical_system": "Dy-In-Ni",
"density": 9.271774231381269,
"density_atomic": 0.04985181711300377,
"volume": 180.53504408071743,
"volume_molar": 12.080082750743168,
"formula_full": "Dy3 In3 Ni3",
"formula_reduced": "DyInNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3965896233333332,
"spacegroup": 189
},
{
"id": "jvasp-33801",
"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Sb",
"H",
"Pt",
"O",
"F"
],
"chemical_system": "F-H-O-Pt-Sb",
"density": 4.0528653056981225,
"density_atomic": 0.0892155405771816,
"volume": 302.6378568725022,
"volume_molar": 6.750102864410895,
"formula_full": "Sb2 H8 Pt1 O4 F12",
"formula_reduced": "Sb2H8Pt(OF3)4",
"formula_anonymous": "AB2C4D8E12",
"energy_above_hull": 1.5654163329629631,
"spacegroup": 2
},
{
"id": "jvasp-47332",
"created_at": "2022-09-04T14:38:08.161727Z",
"updated_at": "2022-09-04T14:38:08.161764Z",
"structure_string": "Li3 V1 F8\n1.0\n5.230230 -0.533202 -0.754062\n3.063304 -5.890119 -0.161408\n3.063304 1.811196 -5.607060\nLi V F\n3 1 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n-0.000001 0.500000 0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.079599 0.158983 0.158984 F\n-0.000000 0.191048 0.808951 F\n-0.000001 0.808951 0.191049 F\n0.920400 0.841016 0.841016 F\n0.471118 0.265590 0.265590 F\n0.500000 0.307779 0.692220 F\n0.499999 0.692220 0.307780 F\n0.528881 0.734409 0.734410 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.517611355195341,
"density_atomic": 0.08131196266510579,
"volume": 147.57976079637393,
"volume_molar": 7.4062174403574454,
"formula_full": "Li3 V1 F8",
"formula_reduced": "Li3VF8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 0.292437205,
"spacegroup": 12
},
{
"id": "jvasp-59744",
"created_at": "2022-09-04T14:38:08.164555Z",
"updated_at": "2022-09-04T14:38:08.164587Z",
"structure_string": "Tl1 Cd1 N3 O6\n1.0\n5.788456 0.000000 0.000000\n-0.000000 5.788456 -0.000000\n-0.000000 0.000000 5.788456\nTl Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.714878 O\n0.000000 0.714878 0.500000 O\n0.000000 0.285123 0.500000 O\n0.500000 0.000000 0.285123 O\n0.285123 0.500000 0.000000 O\n0.714878 0.500000 0.000000 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Tl",
"Cd",
"N",
"O"
],
"chemical_system": "Cd-N-O-Tl",
"density": 3.8939615346545633,
"density_atomic": 0.05671585400390917,
"volume": 193.94929677408754,
"volume_molar": 10.618090595241537,
"formula_full": "Tl1 Cd1 N3 O6",
"formula_reduced": "TlCd(NO2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 3.0627775545454545,
"spacegroup": 200
},
{
"id": "jvasp-37600",
"created_at": "2022-09-04T14:38:08.165393Z",
"updated_at": "2022-09-04T14:38:08.165408Z",
"structure_string": "Sr3 Cr1\n1.0\n5.447948 -0.000000 0.000000\n0.000000 5.447948 -0.000000\n-0.000000 0.000000 5.447948\nSr Cr\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Cr"
],
"chemical_system": "Cr-Sr",
"density": 3.2334216974511496,
"density_atomic": 0.024737803212601696,
"volume": 161.69584524637006,
"volume_molar": 24.343878509520437,
"formula_full": "Sr3 Cr1",
"formula_reduced": "Sr3Cr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8969890825,
"spacegroup": 221
},
{
"id": "jvasp-46814",
"created_at": "2022-09-04T14:38:08.166721Z",
"updated_at": "2022-09-04T14:38:08.166737Z",
"structure_string": "Li6 Cu2 Sb2 O10\n1.0\n5.182487 -0.033228 -0.040112\n-1.327209 5.329599 0.057405\n-1.781640 -2.419657 7.188305\nLi Cu Sb O\n6 2 2 10\ndirect\n0.222800 0.877362 0.362612 Li\n0.415737 0.299051 0.812380 Li\n0.497788 0.469655 0.491548 Li\n0.286593 0.131585 0.104828 Li\n0.597596 0.696680 0.197652 Li\n0.776195 0.109313 0.615626 Li\n0.005674 0.498227 -0.000453 Cu\n0.708811 0.892160 0.904530 Cu\n0.885207 0.294654 0.297107 Sb\n0.108890 0.703580 0.700357 Sb\n0.664832 0.346172 0.069965 O\n0.054651 0.036716 0.827476 O\n0.346688 0.679623 0.939424 O\n0.146010 0.344672 0.553480 O\n0.223338 0.501961 0.240274 O\n0.462423 0.892009 0.668892 O\n0.552729 0.118273 0.352751 O\n0.788963 0.479047 0.756036 O\n0.866727 0.664044 0.445597 O\n0.933289 0.957368 0.166362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Li-O-Sb",
"density": 4.788544436342946,
"density_atomic": 0.10078527865743632,
"volume": 198.44167984075247,
"volume_molar": 5.975218643259329,
"formula_full": "Li6 Cu2 Sb2 O10",
"formula_reduced": "Li3CuSbO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.6612994049999998,
"spacegroup": 1
},
{
"id": "jvasp-42992",
"created_at": "2022-09-04T14:38:08.167892Z",
"updated_at": "2022-09-04T14:38:08.167909Z",
"structure_string": "Li2 Fe1 O2\n1.0\n5.079967 -0.027951 -0.022635\n2.917626 4.158643 0.022635\n-4.321517 -1.440515 2.248726\nLi Fe O\n2 1 2\ndirect\n0.302788 0.802785 0.500002 Li\n0.697215 0.197213 0.500000 Li\n0.000002 0.500000 0.500002 Fe\n0.354929 0.354929 -0.000000 O\n0.645072 0.645071 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.552750408585156,
"density_atomic": 0.10516094763098953,
"volume": 47.54616720976149,
"volume_molar": 5.726594230713602,
"formula_full": "Li2 Fe1 O2",
"formula_reduced": "Li2FeO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.7104344999999994,
"spacegroup": 71
},
{
"id": "jvasp-19032",
"created_at": "2022-09-04T14:38:08.168449Z",
"updated_at": "2022-09-04T14:38:08.168475Z",
"structure_string": "Lu4 Ti4 O14\n1.0\n6.131594 -0.000000 3.540077\n2.043865 5.780923 3.540077\n0.000000 0.000000 7.080155\nLu Ti O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 -0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.084012 0.665988 0.084011 O\n0.665988 0.084011 0.665989 O\n0.665988 0.084011 0.084012 O\n0.625000 0.625000 0.625000 O\n0.915988 0.334011 0.334012 O\n0.334012 0.915988 0.334011 O\n0.334011 0.334011 0.915988 O\n0.915989 0.915988 0.334012 O\n0.915988 0.334011 0.915989 O\n0.084012 0.665988 0.665988 O\n0.334012 0.915988 0.915989 O\n0.375000 0.375000 0.375000 O\n0.665989 0.665988 0.084012 O\n0.084011 0.084011 0.665988 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Ti",
"O"
],
"chemical_system": "Lu-O-Ti",
"density": 7.379691485140433,
"density_atomic": 0.0876615892849274,
"volume": 250.96510546361606,
"volume_molar": 6.869759958864277,
"formula_full": "Lu4 Ti4 O14",
"formula_reduced": "Lu2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.665141151515152,
"spacegroup": 227
},
{
"id": "jvasp-14516",
"created_at": "2022-09-04T14:38:08.174653Z",
"updated_at": "2022-09-04T14:38:08.174681Z",
"structure_string": "Ca2 Ge2\n1.0\n4.021019 -0.000000 -0.000000\n-0.000000 4.180365 -1.760946\n0.000000 0.006596 5.858083\nCa Ge\n2 2\ndirect\n0.750000 0.363730 0.727457 Ca\n0.250000 0.636270 0.272542 Ca\n0.750000 0.077908 0.155816 Ge\n0.250000 0.922092 0.844183 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 3.7997986115902074,
"density_atomic": 0.040602072617606136,
"volume": 98.51713821785279,
"volume_molar": 14.832101840507127,
"formula_full": "Ca2 Ge2",
"formula_reduced": "CaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-9587",
"created_at": "2022-09-04T14:38:08.175253Z",
"updated_at": "2022-09-04T14:38:08.175284Z",
"structure_string": "Ba3 Zn3 O6\n1.0\n2.969201 -5.142807 -0.000000\n2.969201 5.142807 0.000000\n0.000000 -0.000000 6.797697\nBa Zn O\n3 3 6\ndirect\n0.654280 0.654280 0.000000 Ba\n-0.000000 0.345720 0.666667 Ba\n0.345720 -0.000000 0.333333 Ba\n0.412362 -0.000000 0.833333 Zn\n-0.000000 0.412362 0.166667 Zn\n0.587638 0.587638 0.500000 Zn\n0.124706 0.701909 0.958398 O\n0.577203 0.875294 0.625065 O\n0.298091 0.422797 0.291731 O\n0.701909 0.124706 0.041603 O\n0.422797 0.298091 0.708269 O\n0.875294 0.577203 0.374936 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 5.632694656124694,
"density_atomic": 0.05780289942352822,
"volume": 207.60204279848796,
"volume_molar": 10.418406031633655,
"formula_full": "Ba3 Zn3 O6",
"formula_reduced": "BaZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2044408749999999,
"spacegroup": 152
}
]
}