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=-nsites&page=499",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=497",
"results": [
{
"id": "jvasp-52530",
"created_at": "2022-09-04T14:38:08.391716Z",
"updated_at": "2022-09-04T14:38:08.391734Z",
"structure_string": "Lu6 Ta2 O14\n1.0\n5.177823 3.602651 -0.000000\n-5.177823 3.602651 -0.000000\n0.000000 0.000000 7.358315\nLu Ta O\n6 2 14\ndirect\n0.054916 0.515332 0.250000 Lu\n0.484667 0.945084 0.750000 Lu\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.945084 0.484667 0.750000 Lu\n0.515332 0.054916 0.250000 Lu\n0.500000 0.500000 0.000000 Ta\n0.500000 0.500000 0.500000 Ta\n0.827686 0.565087 0.461590 O\n0.434913 0.172314 0.961590 O\n0.434913 0.172314 0.538409 O\n0.827686 0.565087 0.038410 O\n0.409123 0.409123 0.250000 O\n0.590877 0.590877 0.750000 O\n0.565087 0.827686 0.038410 O\n0.172314 0.434913 0.961590 O\n0.565087 0.827686 0.461590 O\n0.845332 0.111937 0.750000 O\n0.111937 0.845332 0.750000 O\n0.154668 0.888062 0.250000 O\n0.172314 0.434913 0.538409 O\n0.888062 0.154668 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"O"
],
"chemical_system": "Lu-O-Ta",
"density": 9.894005830143245,
"density_atomic": 0.08013918411864132,
"volume": 274.52238554650495,
"volume_molar": 7.514602034236557,
"formula_full": "Lu6 Ta2 O14",
"formula_reduced": "Lu3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.701727359090909,
"spacegroup": 63
},
{
"id": "jvasp-46366",
"created_at": "2022-09-04T14:38:08.355417Z",
"updated_at": "2022-09-04T14:38:08.355436Z",
"structure_string": "Sm4 Mn4 O14\n1.0\n0.000000 5.052541 5.052541\n5.052541 0.000000 5.052541\n5.052541 5.052541 0.000000\nSm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.924811 0.325189 0.924811 O\n0.625000 0.625000 0.625000 O\n0.325189 0.325189 0.924811 O\n0.924811 0.924811 0.325189 O\n0.325189 0.924811 0.325189 O\n0.075189 0.674811 0.075189 O\n0.075189 0.075189 0.674811 O\n0.375000 0.375000 0.375000 O\n0.674811 0.674811 0.075189 O\n0.075189 0.674811 0.674811 O\n0.924811 0.325189 0.325189 O\n0.674811 0.075189 0.075189 O\n0.674811 0.075189 0.674811 O\n0.325189 0.924811 0.924811 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sm",
"density": 6.727941770287597,
"density_atomic": 0.08528313291990215,
"volume": 257.96425678524713,
"volume_molar": 7.061350297316107,
"formula_full": "Sm4 Mn4 O14",
"formula_reduced": "Sm2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8748469757053288,
"spacegroup": 227
},
{
"id": "jvasp-46384",
"created_at": "2022-09-04T14:38:08.763221Z",
"updated_at": "2022-09-04T14:38:08.763252Z",
"structure_string": "Ta4 Mn4 O14\n1.0\n-0.000000 5.157425 5.157425\n5.157425 -0.000000 5.157425\n5.157425 5.157425 0.000000\nTa Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.823040 0.426959 0.823040 O\n0.823040 0.823040 0.426959 O\n0.426959 0.426959 0.823040 O\n0.426959 0.823040 0.426959 O\n0.176959 0.573041 0.573041 O\n0.823040 0.426959 0.426959 O\n0.573041 0.176959 0.573041 O\n0.176959 0.573041 0.176959 O\n0.176959 0.176959 0.573041 O\n0.426959 0.823040 0.823040 O\n0.573041 0.176959 0.176959 O\n0.125000 0.125000 0.125000 O\n0.573041 0.573041 0.176959 O\n0.874999 0.874999 0.874999 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 7.066272130452937,
"density_atomic": 0.080185145538699,
"volume": 274.3650317300023,
"volume_molar": 7.510294730454272,
"formula_full": "Ta4 Mn4 O14",
"formula_reduced": "Ta2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 4.048799762068965,
"spacegroup": 227
},
{
"id": "jvasp-29979",
"created_at": "2022-09-04T14:38:08.314479Z",
"updated_at": "2022-09-04T14:38:08.314490Z",
"structure_string": "Nd1 Pb6 F15\n1.0\n3.598569 0.000355 2.075319\n1.199857 3.392645 2.075319\n-0.247899 -0.175291 29.532462\nNd Pb F\n1 6 15\ndirect\n0.052304 0.052305 0.840386 Nd\n0.044235 0.044235 0.986673 Pb\n0.038868 0.038868 0.131709 Pb\n0.037481 0.037481 0.275049 Pb\n0.035621 0.035621 0.418688 Pb\n0.032576 0.032576 0.705830 Pb\n0.032812 0.032812 0.562799 Pb\n0.724155 0.724152 0.838140 F\n0.505403 0.505401 0.788975 F\n0.791877 0.791874 0.666118 F\n0.273853 0.273852 0.888287 F\n0.284500 0.284499 0.740759 F\n0.784655 0.784651 0.526282 F\n0.791312 0.791309 0.237699 F\n0.788716 0.788713 0.381640 F\n0.284688 0.284687 0.454810 F\n0.296220 0.296219 0.021539 F\n0.285343 0.285342 0.311676 F\n0.788631 0.788627 0.096107 F\n0.285989 0.285988 0.168643 F\n0.276004 0.276003 0.601448 F\n0.814768 0.814765 0.942171 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Pb",
"F"
],
"chemical_system": "F-Nd-Pb",
"density": 7.6471429483765805,
"density_atomic": 0.06057981549499257,
"volume": 363.15726319467717,
"volume_molar": 9.940837077157786,
"formula_full": "Nd1 Pb6 F15",
"formula_reduced": "NdPb6F15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 0.0007842168181818,
"spacegroup": 160
},
{
"id": "jvasp-47061",
"created_at": "2022-09-04T14:38:08.301071Z",
"updated_at": "2022-09-04T14:38:08.301087Z",
"structure_string": "Li4 V4 F14\n1.0\n4.959768 -0.326469 0.460855\n-0.280649 4.962572 -0.460855\n3.303127 -3.333776 10.652216\nLi V F\n4 4 14\ndirect\n0.250187 0.146300 0.487255 Li\n0.646301 0.750186 0.012745 Li\n0.353700 0.249812 0.987255 Li\n0.749813 0.853698 0.512745 Li\n0.028166 0.994604 0.245448 V\n0.494605 0.528166 0.254552 V\n0.505395 0.471833 0.745448 V\n0.971834 0.005395 0.754552 V\n0.693309 0.366144 0.871325 F\n0.779744 0.686014 0.628178 F\n0.814603 0.314602 0.250000 F\n0.813985 0.720256 0.128178 F\n0.355776 0.102154 0.624403 F\n0.644224 0.897844 0.375597 F\n0.306691 0.633854 0.128675 F\n0.185397 0.685396 0.750000 F\n0.220257 0.313984 0.371822 F\n0.602155 0.855775 0.875597 F\n0.397846 0.144224 0.124403 F\n0.133855 0.806690 0.371325 F\n0.186016 0.279743 0.871822 F\n0.866145 0.193308 0.628676 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.345162031347259,
"density_atomic": 0.0890822101683478,
"volume": 246.9628892056488,
"volume_molar": 6.760205824057735,
"formula_full": "Li4 V4 F14",
"formula_reduced": "Li2V2F7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 0.7352754888636366,
"spacegroup": 15
},
{
"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-14121",
"created_at": "2022-09-04T14:38:02.012513Z",
"updated_at": "2022-09-04T14:38:02.012534Z",
"structure_string": "Ti2 P2 Cl18\n1.0\n6.822463 -0.065378 0.056659\n-0.889405 8.803935 0.084756\n-1.051659 -1.865178 9.098709\nTi P Cl\n2 2 18\ndirect\n0.381486 0.365314 0.318976 Ti\n0.618513 0.634685 0.681025 Ti\n0.048943 0.189094 0.776978 P\n0.951056 0.810905 0.223023 P\n0.736733 0.942717 0.233229 Cl\n0.263266 0.057282 0.766772 Cl\n0.063830 0.801225 0.421475 Cl\n0.936169 0.198774 0.578525 Cl\n0.714858 0.485282 0.449570 Cl\n0.158546 0.902355 0.121020 Cl\n0.285141 0.514717 0.550431 Cl\n0.515498 0.240456 0.122873 Cl\n0.053212 0.287817 0.242888 Cl\n0.841453 0.097644 0.878980 Cl\n0.585398 0.839044 0.560752 Cl\n0.414601 0.160955 0.439249 Cl\n0.625109 0.413758 0.783006 Cl\n0.374889 0.586241 0.216994 Cl\n0.844553 0.604268 0.113315 Cl\n0.946787 0.712182 0.757113 Cl\n0.484501 0.759543 0.877128 Cl\n0.155446 0.395731 0.886685 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ti",
"P",
"Cl"
],
"chemical_system": "Cl-P-Ti",
"density": 2.4129192434214017,
"density_atomic": 0.0401691876839611,
"volume": 547.6834675644745,
"volume_molar": 14.991940607264363,
"formula_full": "Ti2 P2 Cl18",
"formula_reduced": "TiPCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.7497818582575759,
"spacegroup": 2
},
{
"id": "jvasp-52088",
"created_at": "2022-09-04T14:38:07.390258Z",
"updated_at": "2022-09-04T14:38:07.390282Z",
"structure_string": "Ho4 Ru4 O14\n1.0\n6.211430 -0.000000 3.586171\n2.070477 5.856193 3.586171\n-0.000000 -0.000000 7.172342\nHo Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 -0.000000 Ho\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n0.000000 0.500000 -0.000000 Ru\n0.625000 0.625000 0.625000 O\n0.375000 0.375000 0.375000 O\n0.335490 0.914510 0.914510 O\n0.914511 0.335489 0.335489 O\n0.914511 0.914510 0.335489 O\n0.335490 0.335489 0.914510 O\n0.335490 0.914510 0.335489 O\n0.085490 0.664510 0.085489 O\n0.664511 0.085489 0.664510 O\n0.664511 0.085489 0.085489 O\n0.085489 0.085489 0.664510 O\n0.664511 0.664510 0.085489 O\n0.914511 0.335489 0.914510 O\n0.085490 0.664510 0.664510 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Ru",
"O"
],
"chemical_system": "Ho-O-Ru",
"density": 8.19774855627893,
"density_atomic": 0.08432468246542622,
"volume": 260.8963278221673,
"volume_molar": 7.141610954146344,
"formula_full": "Ho4 Ru4 O14",
"formula_reduced": "Ho2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.935076057575757,
"spacegroup": 227
},
{
"id": "jvasp-36858",
"created_at": "2022-09-04T14:38:01.921857Z",
"updated_at": "2022-09-04T14:38:01.921881Z",
"structure_string": "Ca6 Ti2 Ni2 O12\n1.0\n6.419142 -0.029826 -0.250770\n-0.259590 6.413960 -0.250770\n-0.028776 -0.029826 6.423974\nCa Ti Ni O\n6 2 2 12\ndirect\n0.608557 0.891444 0.250000 Ca\n0.108557 0.750000 0.391444 Ca\n0.750000 0.391443 0.108557 Ca\n0.391444 0.108555 0.749999 Ca\n0.891443 0.249999 0.608555 Ca\n0.249999 0.608556 0.891442 Ca\n0.499999 0.499998 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n0.543024 0.206681 0.419495 O\n0.956975 0.080503 0.293319 O\n0.080504 0.293319 0.956975 O\n0.293319 0.956975 0.080503 O\n0.919495 0.706680 0.043024 O\n0.206681 0.419495 0.543025 O\n0.456975 0.793319 0.580504 O\n0.580504 0.456975 0.793319 O\n0.793319 0.580503 0.456974 O\n0.419495 0.543024 0.206680 O\n0.043025 0.919496 0.706680 O\n0.706680 0.043023 0.919496 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O-Ti",
"density": 4.055396763270889,
"density_atomic": 0.08322538055593909,
"volume": 264.3424380043889,
"volume_molar": 7.235942593200017,
"formula_full": "Ca6 Ti2 Ni2 O12",
"formula_reduced": "Ca3TiNiO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.7257048175757577,
"spacegroup": 167
},
{
"id": "jvasp-55660",
"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 4.830179534242341,
"density_atomic": 0.05015624149408944,
"volume": 438.6293578754809,
"volume_molar": 12.006762429975275,
"formula_full": "Sb8 Cl4 O10",
"formula_reduced": "Sb4Cl2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.932375457727273,
"spacegroup": 14
},
{
"id": "jvasp-31813",
"created_at": "2022-09-04T14:38:07.577192Z",
"updated_at": "2022-09-04T14:38:07.577219Z",
"structure_string": "V2 P2 Cl18\n1.0\n5.952843 0.000000 -0.000000\n-0.000000 9.587691 -3.194388\n0.000000 -0.049626 10.105714\nV P Cl\n2 2 18\ndirect\n0.619698 0.031139 0.468861 V\n0.380301 0.531139 0.968860 V\n0.000000 0.031133 0.968866 P\n0.000000 0.531134 0.468866 P\n0.805750 0.557759 0.632787 Cl\n0.805750 0.867212 0.942240 Cl\n0.194249 0.057759 0.132788 Cl\n0.194297 0.004529 0.804970 Cl\n0.805703 0.195029 0.995470 Cl\n0.805703 0.504529 0.304970 Cl\n0.194297 0.695029 0.495470 Cl\n0.366471 0.389405 0.110594 Cl\n0.633529 0.889405 0.610594 Cl\n0.366510 0.672873 0.827126 Cl\n0.251488 0.031132 0.468868 Cl\n0.748511 0.531132 0.968867 Cl\n0.232816 0.360210 0.797925 Cl\n0.767183 0.202074 0.639789 Cl\n0.767183 0.860211 0.297925 Cl\n0.232816 0.702074 0.139789 Cl\n0.194249 0.367212 0.442241 Cl\n0.633490 0.172873 0.327127 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"V",
"P",
"Cl"
],
"chemical_system": "Cl-P-V",
"density": 2.312707802592677,
"density_atomic": 0.038205717599742776,
"volume": 575.8300427826048,
"volume_molar": 15.762407143062127,
"formula_full": "V2 P2 Cl18",
"formula_reduced": "VPCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.8276387552272728,
"spacegroup": 67
},
{
"id": "jvasp-45808",
"created_at": "2022-09-04T14:38:08.030190Z",
"updated_at": "2022-09-04T14:38:08.030217Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n2.906680 4.870972 0.135227\n-2.906680 4.870972 -0.135227\n-0.168183 0.000000 9.269872\nLi Mn Si O\n4 2 4 12\ndirect\n0.598965 0.718746 0.880243 Li\n0.281254 0.401035 0.380243 Li\n0.718747 0.598964 0.619756 Li\n0.401035 0.281253 0.119756 Li\n0.252131 0.252130 0.750000 Mn\n0.747870 0.747869 0.250000 Mn\n0.136671 0.796773 0.632413 Si\n0.203227 0.863329 0.132413 Si\n0.796773 0.136670 0.867587 Si\n0.863329 0.203226 0.367587 Si\n0.761217 0.513087 0.417011 O\n0.486913 0.238782 0.917011 O\n0.000000 0.000000 0.000000 O\n0.120122 0.120122 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.368149 0.851449 0.704766 O\n0.513087 0.761217 0.082989 O\n0.238783 0.486912 0.582989 O\n0.148550 0.631851 0.204766 O\n0.851450 0.368148 0.795234 O\n0.879878 0.879877 0.750000 O\n0.631852 0.148550 0.295234 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.7935965669080702,
"density_atomic": 0.0837412955031254,
"volume": 262.7138721442268,
"volume_molar": 7.1913632620780765,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.672598676489028,
"spacegroup": 15
}
]
}