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&page=1166",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1164",
"results": [
{
"id": "jvasp-64101",
"created_at": "2022-09-04T14:37:40.549681Z",
"updated_at": "2022-09-04T14:37:40.549701Z",
"structure_string": "Ba4 Rh1 Cl1\n1.0\n-0.000000 4.842620 4.842620\n4.842620 0.000000 4.842620\n4.842620 4.842620 0.000000\nBa Rh Cl\n4 1 1\ndirect\n0.123593 0.625469 0.625469 Ba\n0.625469 0.625469 0.625469 Ba\n0.625469 0.123593 0.625469 Ba\n0.625469 0.625469 0.123593 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Rh",
"Cl"
],
"chemical_system": "Ba-Cl-Rh",
"density": 5.027543023715659,
"density_atomic": 0.026416792247027875,
"volume": 227.1282578101455,
"volume_molar": 22.796638985104426,
"formula_full": "Ba4 Rh1 Cl1",
"formula_reduced": "Ba4RhCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4298918245833333,
"spacegroup": 216
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"Mg"
],
"chemical_system": "K-Mg-Na",
"density": 1.5202142358284418,
"density_atomic": 0.03522519865014578,
"volume": 227.11014576398685,
"volume_molar": 17.096115822685583,
"formula_full": "K1 Na1 Mg6",
"formula_reduced": "KNaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-116503",
"created_at": "2022-09-04T14:38:41.822746Z",
"updated_at": "2022-09-04T14:38:41.822774Z",
"structure_string": "Li8 Co6 O14\n1.0\n16.334185 0.055172 -0.302154\n16.078832 2.877463 -0.302154\n-0.114414 -0.010352 4.927111\nLi Co O\n8 6 14\ndirect\n0.930709 0.930706 0.145350 Li\n0.358736 0.358735 0.279185 Li\n0.786148 0.786145 0.425786 Li\n0.213854 0.213853 0.574215 Li\n0.641266 0.641264 0.720816 Li\n0.500001 0.499999 0.000001 Li\n0.069292 0.069293 0.854651 Li\n-0.000000 0.000000 0.500000 Li\n0.714346 0.714343 0.073864 Co\n0.285656 0.285656 0.926137 Co\n0.142992 0.142991 0.220160 Co\n0.569726 0.569724 0.364661 Co\n0.430275 0.430274 0.635340 Co\n0.857010 0.857007 0.779841 Co\n0.609879 0.609877 0.073122 O\n0.180289 0.180289 0.924990 O\n0.751366 0.751363 0.777724 O\n0.322469 0.322468 0.629683 O\n0.893969 0.893966 0.489770 O\n0.106033 0.106033 0.510231 O\n0.539024 0.539022 0.661981 O\n0.248636 0.248635 0.222278 O\n0.819713 0.819709 0.075011 O\n0.390123 0.390122 0.926879 O\n0.959813 0.959810 0.802707 O\n0.460978 0.460976 0.338020 O\n0.677533 0.677531 0.370318 O\n0.040188 0.040189 0.197294 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.62911575079068,
"density_atomic": 0.12328827754488986,
"volume": 227.1099942150223,
"volume_molar": 4.884601261305893,
"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.4820676571428573,
"spacegroup": 12
},
{
"id": "jvasp-111688",
"created_at": "2022-09-04T14:38:37.938676Z",
"updated_at": "2022-09-04T14:38:37.938700Z",
"structure_string": "Tm4 Ni4 B16\n1.0\n3.407293 0.000000 0.000000\n0.000000 5.861359 0.000000\n0.000000 0.000000 11.371729\nTm Ni B\n4 4 16\ndirect\n0.000000 0.627146 0.349723 Tm\n0.000000 0.372855 0.650277 Tm\n0.000000 0.127145 0.150277 Tm\n0.000000 0.872855 0.849723 Tm\n0.000000 0.634545 0.088951 Ni\n0.000000 0.365455 0.911049 Ni\n0.000000 0.134545 0.411049 Ni\n0.000000 0.865455 0.588951 Ni\n0.500000 0.022369 0.691842 B\n0.500000 0.977631 0.308158 B\n0.500000 0.613575 0.952369 B\n0.500000 0.386425 0.047631 B\n0.500000 0.113575 0.547631 B\n0.500000 0.886425 0.452369 B\n0.500000 0.637003 0.532686 B\n0.500000 0.714446 0.685200 B\n0.500000 0.137003 0.967314 B\n0.500000 0.862997 0.032686 B\n0.500000 0.477631 0.191842 B\n0.500000 0.285554 0.314800 B\n0.500000 0.214446 0.814800 B\n0.500000 0.785554 0.185200 B\n0.500000 0.362997 0.467314 B\n0.500000 0.522369 0.808158 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"B"
],
"chemical_system": "B-Ni-Tm",
"density": 7.9220626622061205,
"density_atomic": 0.10567613891577424,
"volume": 227.1089788691885,
"volume_molar": 5.698675994208828,
"formula_full": "Tm4 Ni4 B16",
"formula_reduced": "TmNiB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.6566744972222223,
"spacegroup": 55
},
{
"id": "jvasp-66663",
"created_at": "2022-09-04T14:36:19.040609Z",
"updated_at": "2022-09-04T14:36:19.040643Z",
"structure_string": "Ba4 La1 W1\n1.0\n0.000000 4.842436 4.842436\n4.842436 -0.000000 4.842436\n4.842436 4.842436 0.000000\nBa La W\n4 1 1\ndirect\n0.121998 0.626001 0.626001 Ba\n0.626001 0.626001 0.626001 Ba\n0.626001 0.121998 0.626001 Ba\n0.626001 0.626001 0.121998 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"La",
"W"
],
"chemical_system": "Ba-La-W",
"density": 6.376326508419167,
"density_atomic": 0.02641980367008193,
"volume": 227.10236892465878,
"volume_molar": 22.794040543229084,
"formula_full": "Ba4 La1 W1",
"formula_reduced": "Ba4LaW",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8439481466666665,
"spacegroup": 216
},
{
"id": "jvasp-101920",
"created_at": "2022-09-04T14:36:53.350117Z",
"updated_at": "2022-09-04T14:36:53.350127Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n3.920133 0.237120 0.450905\n1.440848 4.475336 0.343462\n-0.030247 0.003762 13.198553\nZn H C O\n1 14 9 4\ndirect\n0.817327 0.804785 0.826163 Zn\n0.639420 0.161092 0.394211 H\n0.820101 0.705494 0.122721 H\n0.225849 0.696502 0.168876 H\n0.578199 0.675876 0.314093 H\n0.004266 0.637427 0.354260 H\n0.067410 0.118967 0.433154 H\n0.335023 0.616973 0.503892 H\n0.170800 0.236837 0.022802 H\n0.582931 0.217104 0.068923 H\n0.888291 0.202989 0.210542 H\n0.312113 0.171155 0.250212 H\n0.430126 0.081859 0.576025 H\n0.848339 0.052177 0.616101 H\n0.763567 0.580451 0.542406 H\n0.358131 0.580351 0.961402 C\n0.311529 0.375022 0.050846 C\n0.089312 0.550371 0.144303 C\n0.041614 0.337983 0.233358 C\n0.608400 0.450638 0.517277 C\n0.797364 0.290713 0.418223 C\n0.577607 0.218861 0.601394 C\n0.375310 0.344627 0.702202 C\n0.847548 0.506364 0.330556 C\n0.089759 0.825917 0.941444 O\n0.423675 0.174597 0.782812 O\n0.142684 0.619277 0.702320 O\n0.665606 0.498280 0.908442 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 1.8397770632596195,
"density_atomic": 0.12329322951282387,
"volume": 227.10087253483525,
"volume_molar": 4.884405075441414,
"formula_full": "Zn1 H14 C9 O4",
"formula_reduced": "ZnH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.493676228571429,
"spacegroup": 1
},
{
"id": "jvasp-12635",
"created_at": "2022-09-04T14:37:05.932964Z",
"updated_at": "2022-09-04T14:37:05.932989Z",
"structure_string": "Sr4 Fe4 O11\n1.0\n5.458717 0.000000 0.000000\n0.000000 6.255637 -2.303726\n0.000000 -0.043607 6.666203\nSr Fe O\n4 4 11\ndirect\n0.499999 0.499999 0.499998 Sr\n0.000000 0.258661 0.741337 Sr\n0.000000 0.741339 0.258662 Sr\n0.499999 0.000000 0.000000 Sr\n0.000000 0.745971 0.745972 Fe\n0.000000 0.254029 0.254028 Fe\n0.499999 0.500000 -0.000000 Fe\n0.499999 0.999999 0.499998 Fe\n0.499999 0.266941 0.733058 O\n0.241185 0.892346 0.649751 O\n0.241185 0.649751 0.892343 O\n0.241185 0.350249 0.107654 O\n0.758814 0.892346 0.649751 O\n0.758814 0.107654 0.350248 O\n0.758814 0.350249 0.107654 O\n0.758814 0.649751 0.892343 O\n0.241185 0.107654 0.350248 O\n0.000000 0.499999 0.499998 O\n0.499999 0.733059 0.266941 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.483177267754944,
"density_atomic": 0.08366819984645123,
"volume": 227.08747212045918,
"volume_molar": 7.197645904957794,
"formula_full": "Sr4 Fe4 O11",
"formula_reduced": "Sr4Fe4O11",
"formula_anonymous": "A4B4C11",
"energy_above_hull": 2.4028024073684207,
"spacegroup": 65
},
{
"id": "jvasp-119209",
"created_at": "2022-09-04T14:38:53.220225Z",
"updated_at": "2022-09-04T14:38:53.220250Z",
"structure_string": "Ca3 Y1 Ti4 O12\n1.0\n7.668237 -0.000000 0.000000\n0.000000 5.365221 0.017141\n-0.000000 -0.001597 5.519443\nCa Y Ti O\n3 1 4 12\ndirect\n0.500000 0.488817 0.549807 Ca\n-0.000000 0.990997 0.953597 Ca\n-0.000000 0.511561 0.449863 Ca\n0.500000 0.012369 0.060524 Y\n0.248302 0.998206 0.503327 Ti\n0.751712 0.502667 0.998717 Ti\n0.751698 0.998206 0.503327 Ti\n0.248288 0.502667 0.998717 Ti\n0.299728 0.290129 0.287704 O\n0.699371 0.198136 0.799569 O\n0.700273 0.290129 0.287704 O\n0.300630 0.198136 0.799569 O\n0.206648 0.701428 0.703698 O\n0.500000 0.915365 0.472084 O\n-0.000000 0.084556 0.523784 O\n-0.000000 0.420097 0.022533 O\n0.211616 0.798692 0.203173 O\n0.500000 0.597714 0.975428 O\n0.788384 0.798692 0.203173 O\n0.793352 0.701428 0.703698 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti-Y",
"density": 4.3334363701871474,
"density_atomic": 0.08807470530040386,
"volume": 227.07995368005268,
"volume_molar": 6.837537224177786,
"formula_full": "Ca3 Y1 Ti4 O12",
"formula_reduced": "Ca3YTi4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7245571021666675,
"spacegroup": 6
},
{
"id": "jvasp-66419",
"created_at": "2022-09-04T14:35:51.758505Z",
"updated_at": "2022-09-04T14:35:51.758532Z",
"structure_string": "Ba4 Li1 Ir1\n1.0\n0.000000 4.842248 4.842248\n4.842248 -0.000000 4.842248\n4.842248 4.842248 -0.000000\nBa Li Ir\n4 1 1\ndirect\n0.129557 0.623481 0.623481 Ba\n0.623481 0.623481 0.623481 Ba\n0.623481 0.129557 0.623481 Ba\n0.623481 0.623481 0.129557 Ba\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Ir"
],
"chemical_system": "Ba-Ir-Li",
"density": 5.4733105871433265,
"density_atomic": 0.02642288103162949,
"volume": 227.07591926927668,
"volume_molar": 22.79138581743301,
"formula_full": "Ba4 Li1 Ir1",
"formula_reduced": "Ba4LiIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9387941633333332,
"spacegroup": 216
},
{
"id": "jvasp-36493",
"created_at": "2022-09-04T14:37:13.341848Z",
"updated_at": "2022-09-04T14:37:13.341873Z",
"structure_string": "Ba3 Bi1 P1\n1.0\n6.100639 -0.000000 0.000000\n-0.000000 6.100639 -0.000000\n0.000000 -0.000000 6.100639\nBa Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 4.767904219601084,
"density_atomic": 0.02202135428811115,
"volume": 227.05233904253524,
"volume_molar": 27.346822912027818,
"formula_full": "Ba3 Bi1 P1",
"formula_reduced": "Ba3BiP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.487161542,
"spacegroup": 221
},
{
"id": "jvasp-119404",
"created_at": "2022-09-04T14:38:51.138185Z",
"updated_at": "2022-09-04T14:38:51.138210Z",
"structure_string": "La3 Ir9\n1.0\n5.212636 0.014130 7.887644\n2.381343 4.636915 7.887644\n0.023070 0.014130 9.454416\nLa Ir\n3 9\ndirect\n0.860482 0.860481 0.860482 La\n0.139519 0.139518 0.139519 La\n0.000000 0.000000 0.000000 La\n0.421138 0.916262 0.421138 Ir\n0.421138 0.421137 0.916264 Ir\n0.916264 0.421137 0.421137 Ir\n0.578863 0.083737 0.578862 Ir\n0.578863 0.578862 0.083736 Ir\n0.083737 0.578862 0.578863 Ir\n0.668148 0.668147 0.668148 Ir\n0.331852 0.331852 0.331852 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 15.70019636809733,
"density_atomic": 0.05285329473493373,
"volume": 227.04355632286672,
"volume_molar": 11.394068790227427,
"formula_full": "La3 Ir9",
"formula_reduced": "LaIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.776767075,
"spacegroup": 166
},
{
"id": "jvasp-48149",
"created_at": "2022-09-04T14:36:45.961761Z",
"updated_at": "2022-09-04T14:36:45.961784Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.817164235353984,
"density_atomic": 0.0968979981262192,
"volume": 227.04287421235298,
"volume_molar": 6.214927941189836,
"formula_full": "Li4 Ni2 C4 O12",
"formula_reduced": "Li2Ni(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.040313036363636,
"spacegroup": 43
}
]
}