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=431",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=429",
"results": [
{
"id": "jvasp-120565",
"created_at": "2022-09-04T14:38:45.964279Z",
"updated_at": "2022-09-04T14:38:45.964296Z",
"structure_string": "Rb8 Co4 O12\n1.0\n6.550448 -0.004739 -3.227654\n3.437276 7.376772 -1.295790\n-0.010071 0.047148 8.240704\nRb Co O\n8 4 12\ndirect\n0.816965 0.208997 0.531032 Rb\n0.816959 0.709001 0.031040 Rb\n0.505072 0.959003 0.281027 Rb\n0.505072 0.458996 0.781025 Rb\n0.494930 0.531029 0.208998 Rb\n0.494921 0.031036 0.709003 Rb\n0.183043 0.281028 0.959000 Rb\n0.183039 0.781027 0.458993 Rb\n0.927844 0.119995 0.119996 Co\n0.072159 0.369997 0.369997 Co\n0.927838 0.619996 0.619997 Co\n0.072162 0.869996 0.869996 Co\n0.119707 0.625282 0.864724 O\n0.679378 0.119963 0.119968 O\n0.679370 0.619963 0.619968 O\n0.320627 0.369975 0.369969 O\n0.320631 0.869973 0.869970 O\n0.880292 0.114724 0.875281 O\n0.880299 0.614725 0.375285 O\n0.880258 0.864724 0.625282 O\n0.880247 0.364725 0.125282 O\n0.119748 0.875282 0.114725 O\n0.119755 0.375286 0.614727 O\n0.119699 0.125282 0.364726 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Co",
"O"
],
"chemical_system": "Co-O-Rb",
"density": 4.6376039265917495,
"density_atomic": 0.06030576674581084,
"volume": 397.9718905019505,
"volume_molar": 9.986011429691887,
"formula_full": "Rb8 Co4 O12",
"formula_reduced": "Rb2CoO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3609335666666666,
"spacegroup": 63
},
{
"id": "jvasp-116688",
"created_at": "2022-09-04T14:38:33.027557Z",
"updated_at": "2022-09-04T14:38:33.027594Z",
"structure_string": "La6 Ga2 Cu2 Se14\n1.0\n10.698348 0.000000 0.000000\n-5.349175 9.265041 0.000000\n0.000000 -0.000000 6.204147\nLa Ga Cu Se\n6 2 2 14\ndirect\n0.139869 0.774758 0.082620 La\n0.225242 0.365111 0.082620 La\n0.634889 0.860131 0.082620 La\n0.860131 0.225242 0.582620 La\n0.774758 0.634889 0.582620 La\n0.365111 0.139869 0.582620 La\n0.333333 0.666667 0.495281 Ga\n0.666667 0.333333 0.995282 Ga\n0.000000 0.000000 0.108053 Cu\n0.000000 0.000000 0.608054 Cu\n0.572802 0.090109 0.848563 Se\n0.482692 0.572802 0.348563 Se\n0.090108 0.517308 0.348563 Se\n0.427198 0.909891 0.348563 Se\n0.666667 0.333333 0.380966 Se\n0.333333 0.666667 0.880966 Se\n0.901832 0.157013 0.096470 Se\n0.098168 0.842987 0.596471 Se\n0.744818 0.901832 0.596471 Se\n0.842987 0.744819 0.096470 Se\n0.909891 0.482692 0.848563 Se\n0.255181 0.098168 0.096470 Se\n0.157013 0.255181 0.596471 Se\n0.517308 0.427198 0.848563 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-La-Se",
"density": 5.955146541131038,
"density_atomic": 0.03902699350628375,
"volume": 614.9589769484999,
"volume_molar": 15.430706336706091,
"formula_full": "La6 Ga2 Cu2 Se14",
"formula_reduced": "La3GaCuSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3506817784722218,
"spacegroup": 173
},
{
"id": "jvasp-112913",
"created_at": "2022-09-04T14:38:45.087825Z",
"updated_at": "2022-09-04T14:38:45.087851Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.653413 -0.005650 -1.613927\n-0.354623 5.559015 -1.044861\n-0.001329 -0.040889 7.481696\nLi Co O\n7 5 12\ndirect\n0.500401 0.261086 0.999849 Li\n0.514455 0.418439 0.675616 Li\n0.499599 0.738915 0.000152 Li\n0.508380 0.917542 0.669144 Li\n0.491620 0.082459 0.330856 Li\n0.485545 0.581562 0.324384 Li\n0.000000 0.500000 0.000000 Li\n0.002712 0.665615 0.670201 Co\n0.997287 0.334386 0.329799 Co\n0.997019 0.830184 0.329446 Co\n0.000000 0.000000 0.000000 Co\n0.002981 0.169817 0.670555 Co\n0.223558 0.278157 0.168033 O\n0.779061 0.043055 0.171809 O\n0.776098 0.194233 0.832305 O\n0.768563 0.546139 0.185752 O\n0.776442 0.721843 0.831967 O\n0.785770 0.877618 0.508597 O\n0.783604 0.376963 0.509603 O\n0.231437 0.453862 0.814248 O\n0.216396 0.623038 0.490397 O\n0.220939 0.956946 0.828191 O\n0.214230 0.122383 0.491403 O\n0.223902 0.805768 0.167695 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.598246489757571,
"density_atomic": 0.12416555794047551,
"volume": 193.29031655868295,
"volume_molar": 4.850089557755615,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5957181875,
"spacegroup": 2
},
{
"id": "jvasp-113025",
"created_at": "2022-09-04T14:38:45.937549Z",
"updated_at": "2022-09-04T14:38:45.937571Z",
"structure_string": "Dy16 Mg4 Ni4\n1.0\n8.249445 -0.000000 4.762819\n2.749815 7.777651 4.762819\n-0.000000 -0.000000 9.525638\nDy Mg Ni\n16 4 4\ndirect\n0.346046 0.346046 0.346047 Dy\n0.934304 0.934305 0.565695 Dy\n0.565694 0.565694 0.934306 Dy\n0.934305 0.565694 0.934306 Dy\n0.565694 0.934305 0.565695 Dy\n0.934305 0.565694 0.565695 Dy\n0.812522 0.812523 0.187478 Dy\n0.187477 0.187477 0.812523 Dy\n0.565694 0.934305 0.934306 Dy\n0.187476 0.812523 0.187477 Dy\n0.187476 0.812523 0.812524 Dy\n0.812523 0.187477 0.187477 Dy\n0.961859 0.346046 0.346047 Dy\n0.346046 0.961859 0.346047 Dy\n0.346046 0.346046 0.961860 Dy\n0.812523 0.187477 0.812524 Dy\n0.579621 0.579622 0.579623 Mg\n0.579621 0.579622 0.261135 Mg\n0.579622 0.261135 0.579622 Mg\n0.261134 0.579622 0.579623 Mg\n0.142003 0.573992 0.142003 Ni\n0.142003 0.142003 0.142003 Ni\n0.142003 0.142003 0.573992 Ni\n0.573991 0.142003 0.142003 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Ni"
],
"chemical_system": "Dy-Mg-Ni",
"density": 7.966083593002611,
"density_atomic": 0.03926847047925344,
"volume": 611.1773569759949,
"volume_molar": 15.335816970975875,
"formula_full": "Dy16 Mg4 Ni4",
"formula_reduced": "Dy4MgNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.0362479083333334,
"spacegroup": 216
},
{
"id": "jvasp-97680",
"created_at": "2022-09-04T14:35:55.198638Z",
"updated_at": "2022-09-04T14:35:55.198664Z",
"structure_string": "Y2 Mg4 Cu18\n1.0\n4.985271 -0.000000 -0.000000\n-2.492635 4.317371 0.000000\n0.000000 -0.000000 16.123095\nY Mg Cu\n2 4 18\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.533505 Mg\n0.666666 0.333333 0.466495 Mg\n0.333333 0.666666 0.966495 Mg\n0.666666 0.333333 0.033505 Mg\n0.333333 0.666666 0.250000 Cu\n0.663522 0.831761 0.377277 Cu\n0.336477 0.168239 0.877277 Cu\n0.831761 0.663523 0.622724 Cu\n0.831761 0.168239 0.877277 Cu\n0.831761 0.663523 0.877277 Cu\n0.168238 0.831761 0.122724 Cu\n0.663522 0.831761 0.122724 Cu\n0.831761 0.168239 0.622724 Cu\n0.168238 0.336477 0.122724 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.168238 0.336477 0.377277 Cu\n0.168238 0.831761 0.377277 Cu\n0.666666 0.333333 0.750000 Cu\n0.336477 0.168239 0.622724 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 6.789409386944605,
"density_atomic": 0.06915995263448582,
"volume": 347.02163731721055,
"volume_molar": 8.707554777874627,
"formula_full": "Y2 Mg4 Cu18",
"formula_reduced": "YMg2Cu9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-42630",
"created_at": "2022-09-04T14:35:59.440096Z",
"updated_at": "2022-09-04T14:35:59.440129Z",
"structure_string": "Li6 Mn6 O12\n1.0\n0.000000 5.760328 -0.001001\n4.136673 0.000000 0.000000\n0.000000 -0.001241 -8.547695\nLi Mn O\n6 6 12\ndirect\n0.867108 0.000000 0.910834 Li\n0.867125 0.000000 0.589167 Li\n0.380229 0.000000 0.249999 Li\n0.621691 0.500000 0.749987 Li\n0.133410 0.500000 0.413544 Li\n0.133418 0.500000 0.086493 Li\n0.635020 0.500000 0.073889 Mn\n0.635035 0.500000 0.426072 Mn\n0.097598 0.500000 0.750027 Mn\n0.904618 0.000000 0.250006 Mn\n0.363526 0.000000 0.919918 Mn\n0.363523 0.000000 0.580087 Mn\n0.360564 0.500000 0.914652 O\n0.582038 0.000000 0.750012 O\n0.629971 0.000000 0.422398 O\n0.629925 0.000000 0.077591 O\n0.121605 0.000000 0.749986 O\n0.135840 0.000000 0.418434 O\n0.135814 0.000000 0.081565 O\n0.867944 0.500000 0.912850 O\n0.880154 0.500000 0.250033 O\n0.867984 0.500000 0.587168 O\n0.425194 0.500000 0.249998 O\n0.360671 0.500000 0.585295 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.59214958395066,
"density_atomic": 0.1178321517503225,
"volume": 203.67955302092932,
"volume_molar": 5.110778909274665,
"formula_full": "Li6 Mn6 O12",
"formula_reduced": "LiMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9516735603448276,
"spacegroup": 25
},
{
"id": "jvasp-63828",
"created_at": "2022-09-04T14:36:02.681405Z",
"updated_at": "2022-09-04T14:36:02.681428Z",
"structure_string": "Dy4 Cr4 B16\n1.0\n3.463280 0.000000 0.000000\n0.000000 5.917003 -0.000000\n0.000000 0.000000 11.434434\nDy Cr B\n4 4 16\ndirect\n0.000000 0.124088 0.849285 Dy\n0.000000 0.875912 0.150715 Dy\n0.000000 0.375912 0.349285 Dy\n0.000000 0.624087 0.650714 Dy\n0.000000 0.121543 0.579115 Cr\n0.000000 0.878457 0.420884 Cr\n0.000000 0.378457 0.079116 Cr\n0.000000 0.621542 0.920884 Cr\n0.500000 0.525214 0.191557 B\n0.500000 0.474786 0.808443 B\n0.500000 0.886767 0.546780 B\n0.500000 0.113233 0.453220 B\n0.500000 0.613232 0.046780 B\n0.500000 0.386767 0.953220 B\n0.500000 0.862534 0.967494 B\n0.500000 0.780088 0.816093 B\n0.500000 0.637465 0.467494 B\n0.500000 0.362534 0.532505 B\n0.500000 0.025214 0.308443 B\n0.500000 0.219911 0.183907 B\n0.500000 0.719911 0.316093 B\n0.500000 0.280089 0.683907 B\n0.500000 0.137466 0.032505 B\n0.500000 0.974785 0.691556 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Cr",
"B"
],
"chemical_system": "B-Cr-Dy",
"density": 7.306123600014014,
"density_atomic": 0.1024252836352138,
"volume": 234.3171446366276,
"volume_molar": 5.879545114512711,
"formula_full": "Dy4 Cr4 B16",
"formula_reduced": "DyCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.343575705555557,
"spacegroup": 55
},
{
"id": "jvasp-43994",
"created_at": "2022-09-04T14:36:02.762582Z",
"updated_at": "2022-09-04T14:36:02.762603Z",
"structure_string": "Li1 V1 P4 H4 O14\n1.0\n5.304672 0.143520 -0.015167\n2.611446 6.508044 -0.347920\n1.192485 0.346923 7.517687\nLi V P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.000000 V\n0.332983 0.238609 0.314183 P\n0.372816 0.651168 0.226890 P\n0.627184 0.348831 0.773110 P\n0.667017 0.761390 0.685817 P\n0.055119 0.811481 0.446140 H\n0.673599 0.940778 0.338206 H\n0.326401 0.059221 0.661794 H\n0.944881 0.188518 0.553860 H\n0.823331 0.308095 0.911650 O\n0.653643 0.652083 0.156706 O\n0.579396 0.568012 0.683294 O\n0.759803 0.186173 0.619247 O\n0.382103 0.943811 0.753224 O\n0.617897 0.056188 0.246776 O\n0.216570 0.208813 0.501775 O\n0.420604 0.431987 0.316706 O\n0.346358 0.347916 0.843294 O\n0.176669 0.691904 0.088350 O\n0.783430 0.791186 0.498225 O\n0.133452 0.279855 0.179768 O\n0.240198 0.813825 0.380753 O\n0.866549 0.720144 0.820232 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.643702641552617,
"density_atomic": 0.0932399072606187,
"volume": 257.4005134187512,
"volume_molar": 6.458758847933286,
"formula_full": "Li1 V1 P4 H4 O14",
"formula_reduced": "LiVP4(H2O7)2",
"formula_anonymous": "ABC4D4E14",
"energy_above_hull": 3.159298966666667,
"spacegroup": 2
},
{
"id": "jvasp-42325",
"created_at": "2022-09-04T14:35:50.341856Z",
"updated_at": "2022-09-04T14:35:50.341872Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.775314 0.012566 -0.020269\n0.001704 5.957414 0.000866\n-0.512058 -2.952819 9.499903\nFe O F\n8 6 10\ndirect\n0.479338 0.631779 0.751737 Fe\n0.504242 0.886025 0.251626 Fe\n0.529691 0.362987 0.238371 Fe\n0.485430 0.117085 0.737976 Fe\n0.018953 0.493437 0.024311 Fe\n0.025945 0.737343 0.505622 Fe\n0.950267 0.010130 0.989255 Fe\n0.005446 0.262334 0.496570 Fe\n0.308748 0.339148 0.653014 O\n0.304635 0.814362 0.650423 O\n0.327467 0.571002 0.159596 O\n0.709034 0.183595 0.343921 O\n0.788612 0.296908 0.101939 O\n0.668593 0.917591 0.846233 O\n0.232393 0.442066 0.386914 F\n0.798142 0.551730 0.603736 F\n0.812318 0.050782 0.598213 F\n0.798306 0.797529 0.103523 F\n0.688480 0.433681 0.854806 F\n0.722369 0.686590 0.358353 F\n0.275741 0.061294 0.139092 F\n0.210368 0.952096 0.402034 F\n0.186439 0.199546 0.893523 F\n0.169018 0.700958 0.909211 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.502982762094923,
"density_atomic": 0.08882030751940977,
"volume": 270.2084767580355,
"volume_molar": 6.780139506591993,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.907846159375,
"spacegroup": 1
},
{
"id": "jvasp-12194",
"created_at": "2022-09-04T14:35:59.306568Z",
"updated_at": "2022-09-04T14:35:59.306605Z",
"structure_string": "Te6 O18\n1.0\n6.396011 0.000000 0.000000\n-3.198006 5.539108 0.000000\n-0.000000 -0.000000 10.065558\nTe O\n6 18\ndirect\n0.662839 -0.000000 0.498869 Te\n0.662838 0.662839 -0.001131 Te\n-0.000000 0.337161 -0.001131 Te\n-0.000000 0.662839 0.498869 Te\n0.337161 0.337161 0.498869 Te\n0.337161 -0.000000 -0.001131 Te\n-0.000000 0.249819 0.168920 O\n-0.000000 0.750182 0.668920 O\n0.249818 0.249819 0.668920 O\n0.249818 -0.000000 0.168920 O\n0.536805 -0.000000 0.337429 O\n0.536804 0.536805 0.837429 O\n-0.000000 0.463195 0.837429 O\n-0.000000 0.536805 0.337429 O\n0.000000 0.000000 0.431270 O\n0.463195 -0.000000 0.837429 O\n0.750181 0.750182 0.168920 O\n0.000000 0.000000 0.931270 O\n0.333333 0.666667 0.043006 O\n0.666667 0.333333 0.543006 O\n0.333333 0.666667 0.543006 O\n0.666667 0.333333 0.043006 O\n0.463195 0.463195 0.337429 O\n0.750181 -0.000000 0.668920 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 4.90606747553188,
"density_atomic": 0.06730143913985673,
"volume": 356.6045586354618,
"volume_molar": 8.948011865668436,
"formula_full": "Te6 O18",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.991097066666667,
"spacegroup": 185
},
{
"id": "jvasp-63576",
"created_at": "2022-09-04T14:35:59.092820Z",
"updated_at": "2022-09-04T14:35:59.092847Z",
"structure_string": "Na18 As6\n1.0\n4.386619 -7.597847 0.000000\n4.386619 7.597847 0.000000\n-0.000000 -0.000000 8.988453\nNa As\n18 6\ndirect\n0.698551 0.698551 0.414084 Na\n0.000000 0.000000 0.202841 Na\n0.000000 0.000000 0.702841 Na\n0.333333 0.666667 0.767690 Na\n0.666667 0.333333 0.267690 Na\n0.333333 0.666667 0.267690 Na\n0.666667 0.333333 0.767690 Na\n-0.000000 0.638960 0.575581 Na\n0.361040 0.361040 0.575581 Na\n0.638960 -0.000000 0.575581 Na\n-0.000000 0.361040 0.075581 Na\n0.638960 0.638960 0.075581 Na\n0.698551 -0.000000 0.914084 Na\n-0.000000 0.698551 0.914084 Na\n0.301449 0.301449 0.914084 Na\n0.301449 -0.000000 0.414084 Na\n-0.000000 0.301449 0.414084 Na\n0.361040 -0.000000 0.075581 Na\n-0.000000 0.669251 0.244895 As\n0.669251 0.669251 0.744894 As\n-0.000000 0.330749 0.744894 As\n0.330749 -0.000000 0.744894 As\n0.330749 0.330749 0.244895 As\n0.669251 -0.000000 0.244895 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Na",
"As"
],
"chemical_system": "As-Na",
"density": 2.3927553381863955,
"density_atomic": 0.04005676153437631,
"volume": 599.1497834742192,
"volume_molar": 15.034018051688626,
"formula_full": "Na18 As6",
"formula_reduced": "Na3As",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 185
},
{
"id": "jvasp-63159",
"created_at": "2022-09-04T14:35:59.005612Z",
"updated_at": "2022-09-04T14:35:59.005637Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.431347 -5.943267 0.000000\n3.431347 5.943267 -0.000000\n0.000000 -0.000000 6.834230\nLa Si B O\n3 3 3 15\ndirect\n0.600918 0.000000 0.833333 La\n0.399083 0.399083 0.500000 La\n0.000000 0.600918 0.166667 La\n0.581609 0.000000 0.333333 Si\n0.418392 0.418392 0.000000 Si\n0.000000 0.581609 0.666667 Si\n0.108653 0.000000 0.833333 B\n0.891348 0.891348 0.500000 B\n0.000000 0.108653 0.166667 B\n0.039199 0.000000 0.333333 O\n0.605716 0.469188 0.166331 O\n0.863471 0.394285 0.832998 O\n0.530813 0.136530 0.499664 O\n0.394285 0.863471 0.167002 O\n0.136530 0.530813 0.500336 O\n0.655471 0.846448 0.471281 O\n0.344530 0.190978 0.862052 O\n0.846448 0.655471 0.528719 O\n0.809023 0.153553 0.195385 O\n0.960802 0.960802 0.000000 O\n0.153553 0.809023 0.804615 O\n0.190978 0.344530 0.137948 O\n0.469188 0.605716 0.833669 O\n0.000000 0.039199 0.666667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Si",
"B",
"O"
],
"chemical_system": "B-La-O-Si",
"density": 4.607253022729184,
"density_atomic": 0.08609972717702909,
"volume": 278.7465278566302,
"volume_molar": 6.994378446307868,
"formula_full": "La3 Si3 B3 O15",
"formula_reduced": "LaSiBO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.7374867104166665,
"spacegroup": 152
}
]
}