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=-spacegroup&page=4083",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4081",
"results": [
{
"id": "jvasp-48580",
"created_at": "2022-09-04T14:35:59.529362Z",
"updated_at": "2022-09-04T14:35:59.529387Z",
"structure_string": "Li6 Mn2 F12\n1.0\n0.000000 5.035518 -0.006001\n5.128890 0.000000 0.000000\n0.000000 -4.744081 -7.673841\nLi Mn F\n6 2 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.731397 0.464109 0.750960 Li\n0.500000 0.500000 -0.000000 Li\n0.268603 0.964109 0.749040 Li\n0.731397 0.035891 0.250960 Li\n0.268603 0.535891 0.249040 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.248606 0.333926 0.428851 F\n0.751394 0.833927 0.071149 F\n0.080454 0.815016 0.427879 F\n0.385650 0.595986 0.753546 F\n0.614350 0.404014 0.246454 F\n0.080454 0.684984 0.927879 F\n0.248606 0.166074 0.928851 F\n0.751394 0.666074 0.571148 F\n0.919546 0.315016 0.072121 F\n0.385650 0.904014 0.253546 F\n0.919546 0.184984 0.572121 F\n0.614350 0.095986 0.746454 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.1773426122625072,
"density_atomic": 0.10083929808433788,
"volume": 198.33537499708513,
"volume_molar": 5.972017729599156,
"formula_full": "Li6 Mn2 F12",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.361966893637931,
"spacegroup": 14
},
{
"id": "jvasp-49960",
"created_at": "2022-09-04T14:35:59.800209Z",
"updated_at": "2022-09-04T14:35:59.800234Z",
"structure_string": "Sm4 As4 O16\n1.0\n0.000000 6.721623 0.012784\n7.085993 0.000000 0.000000\n0.000000 -4.905659 -6.644281\nSm As O\n4 4 16\ndirect\n0.813356 0.851152 0.220722 Sm\n0.186644 0.351152 0.279279 Sm\n0.813356 0.648847 0.720722 Sm\n0.186644 0.148848 0.779279 Sm\n0.312180 0.839083 0.199133 As\n0.687820 0.339083 0.300868 As\n0.312180 0.660917 0.699133 As\n0.687820 0.160917 0.800868 As\n0.891415 0.347277 0.895150 O\n0.165444 0.493533 0.744125 O\n0.384752 0.211423 0.610295 O\n0.834555 0.993533 0.755875 O\n0.108585 0.847276 0.604850 O\n0.354419 0.605805 0.518453 O\n0.645580 0.394195 0.481548 O\n0.834555 0.506466 0.255875 O\n0.165444 0.006467 0.244125 O\n0.615247 0.788576 0.389705 O\n0.615247 0.711423 0.889705 O\n0.108585 0.652723 0.104850 O\n0.384752 0.288576 0.110296 O\n0.354420 0.894194 0.018453 O\n0.891415 0.152723 0.395150 O\n0.645580 0.105805 0.981548 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sm",
"As",
"O"
],
"chemical_system": "As-O-Sm",
"density": 6.080141956815428,
"density_atomic": 0.07594490869176464,
"volume": 316.01855099211576,
"volume_molar": 7.929617486857329,
"formula_full": "Sm4 As4 O16",
"formula_reduced": "SmAsO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.080999104166667,
"spacegroup": 14
},
{
"id": "jvasp-98787",
"created_at": "2022-09-04T14:35:59.903514Z",
"updated_at": "2022-09-04T14:35:59.903540Z",
"structure_string": "Nd16 Ga8 O36\n1.0\n7.358983 0.000000 -2.546032\n0.000000 11.058068 0.000000\n0.031028 0.000000 11.606320\nNd Ga O\n16 8 36\ndirect\n0.522281 0.393363 0.283505 Nd\n0.834210 0.119079 0.410413 Nd\n0.834211 0.380921 0.910413 Nd\n0.023734 0.090709 0.807363 Nd\n0.477719 0.893363 0.216495 Nd\n0.336121 0.376000 0.932197 Nd\n0.477719 0.606637 0.716495 Nd\n0.165789 0.619079 0.089587 Nd\n0.165789 0.880922 0.589587 Nd\n0.976265 0.590709 0.692637 Nd\n0.336121 0.124000 0.432197 Nd\n0.023734 0.409291 0.307363 Nd\n0.976265 0.909291 0.192637 Nd\n0.663879 0.876000 0.567803 Nd\n0.522281 0.106637 0.783505 Nd\n0.663879 0.624000 0.067803 Nd\n0.785789 0.685216 0.373803 Ga\n0.785789 0.814784 0.873803 Ga\n0.214211 0.314784 0.626197 Ga\n0.656064 0.182557 0.113682 Ga\n0.343936 0.817444 0.886318 Ga\n0.343936 0.682557 0.386318 Ga\n0.214211 0.185216 0.126197 Ga\n0.656064 0.317444 0.613682 Ga\n0.783972 0.976798 0.839450 O\n0.363266 0.768310 0.041117 O\n0.567906 0.751722 0.886484 O\n0.078116 0.993442 0.394432 O\n0.363266 0.731690 0.541117 O\n0.565405 0.009005 0.395387 O\n0.072252 0.263659 0.474859 O\n0.072252 0.236341 0.974859 O\n0.785786 0.273148 0.248934 O\n0.233582 0.229278 0.768925 O\n0.216028 0.023202 0.160550 O\n0.785786 0.226852 0.748934 O\n0.296916 0.526940 0.324532 O\n0.921884 0.493442 0.105568 O\n0.432094 0.251721 0.613516 O\n0.296916 0.973060 0.824532 O\n0.927748 0.763659 0.025141 O\n0.703084 0.026940 0.175468 O\n0.927748 0.736341 0.525141 O\n0.567906 0.748279 0.386484 O\n0.636734 0.231690 0.958883 O\n0.214214 0.773148 0.251066 O\n0.921884 0.006558 0.605568 O\n0.434595 0.509005 0.104613 O\n0.432094 0.248279 0.113516 O\n0.766418 0.770722 0.231075 O\n0.783972 0.523202 0.339450 O\n0.703084 0.473060 0.675468 O\n0.078116 0.506558 0.894432 O\n0.214214 0.726852 0.751066 O\n0.233582 0.270722 0.268925 O\n0.636734 0.268310 0.458883 O\n0.766418 0.729278 0.731075 O\n0.434595 0.990996 0.604613 O\n0.216028 0.476798 0.660550 O\n0.565405 0.490996 0.895387 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 6.045340010079418,
"density_atomic": 0.06346848781266105,
"volume": 945.3510248597867,
"volume_molar": 9.488394898859823,
"formula_full": "Nd16 Ga8 O36",
"formula_reduced": "Nd4Ga2O9",
"formula_anonymous": "A2B4C9",
"energy_above_hull": 2.058772143333333,
"spacegroup": 14
},
{
"id": "jvasp-98645",
"created_at": "2022-09-04T14:35:59.933448Z",
"updated_at": "2022-09-04T14:35:59.933467Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O",
"density": 2.2154480481035104,
"density_atomic": 0.10449666590592653,
"volume": 497.6235322839216,
"volume_molar": 5.762997994042654,
"formula_full": "Mn4 H24 O12 F12",
"formula_reduced": "MnH6(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 2.386405276067639,
"spacegroup": 14
},
{
"id": "jvasp-95284",
"created_at": "2022-09-04T14:36:00.437065Z",
"updated_at": "2022-09-04T14:36:00.437094Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.143602 0.000000 -3.312996\n0.000000 6.656926 0.000000\n-0.007196 0.000000 13.948888\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.482291 0.250972 0.604175 Sr\n0.517708 0.750972 0.895825 Sr\n0.517708 0.749029 0.395825 Sr\n0.482291 0.249029 0.104175 Sr\n0.020535 0.493106 0.885133 Mg\n0.979464 0.993107 0.614867 Mg\n0.979464 0.506894 0.114867 Mg\n0.020535 0.006894 0.385133 Mg\n0.276315 0.259812 0.289098 P\n0.723684 0.759812 0.210902 P\n0.723684 0.740189 0.710902 P\n0.276315 0.240189 0.789098 P\n0.259893 0.776176 0.089784 P\n0.740106 0.276176 0.410216 P\n0.259893 0.723825 0.589784 P\n0.064859 0.517234 0.380750 P\n0.935140 0.017233 0.119249 P\n0.935140 0.482767 0.619249 P\n0.064859 0.982767 0.880750 P\n0.740106 0.223825 0.910216 P\n0.178412 0.477110 0.303221 N\n0.728263 0.080855 0.001693 N\n0.271736 0.580855 0.498306 N\n0.271736 0.919146 0.998306 N\n0.728263 0.419146 0.501693 N\n0.513753 0.298401 0.297287 N\n0.486247 0.798401 0.202713 N\n0.486246 0.701600 0.702713 N\n0.513752 0.201599 0.797287 N\n0.821587 0.977110 0.196779 N\n0.052613 0.811463 0.111379 N\n0.178412 0.022891 0.803221 N\n0.821587 0.522891 0.696779 N\n0.947386 0.188537 0.888621 N\n0.947386 0.311463 0.388621 N\n0.052613 0.688538 0.611379 N\n0.893885 0.794772 0.838803 N\n0.893886 0.705229 0.338803 N\n0.106114 0.205228 0.161197 N\n0.106113 0.294772 0.661197 N\n0.711196 0.592168 0.129088 O\n0.221119 0.949595 0.550173 O\n0.778879 0.449595 0.949827 O\n0.778880 0.050406 0.449827 O\n0.221120 0.550406 0.050173 O\n0.288803 0.407833 0.870911 O\n0.711195 0.907833 0.629088 O\n0.288804 0.092168 0.370911 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"P",
"N",
"O"
],
"chemical_system": "Mg-N-O-P-Sr",
"density": 3.57404584528189,
"density_atomic": 0.08416386734948819,
"volume": 570.3159979647952,
"volume_molar": 7.155256702966398,
"formula_full": "Sr4 Mg4 P12 N20 O8",
"formula_reduced": "SrMgP3N5O2",
"formula_anonymous": "ABC2D3E5",
"energy_above_hull": 3.7513945925,
"spacegroup": 14
},
{
"id": "jvasp-97586",
"created_at": "2022-09-04T14:36:00.254026Z",
"updated_at": "2022-09-04T14:36:00.254064Z",
"structure_string": "Ce4 Cu4 Se8\n1.0\n6.674066 0.032769 0.000000\n-0.875323 7.191030 0.000000\n0.000000 0.000000 7.530885\nCe Cu Se\n4 4 8\ndirect\n0.690375 0.298566 0.547781 Ce\n0.309626 0.201434 0.047781 Ce\n0.309626 0.701434 0.452218 Ce\n0.690375 0.798566 0.952218 Ce\n0.059399 0.538945 0.837708 Cu\n0.940602 0.461055 0.162291 Cu\n0.059399 0.038945 0.662291 Cu\n0.940603 0.961055 0.337708 Cu\n0.412969 -0.000484 0.724611 Se\n0.412970 0.499516 0.775388 Se\n0.587032 0.500484 0.224612 Se\n0.587031 0.000484 0.275388 Se\n0.896621 0.715310 0.610226 Se\n0.103380 0.784690 0.110226 Se\n0.103380 0.284690 0.389774 Se\n0.896621 0.215310 0.889773 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Se"
],
"chemical_system": "Ce-Cu-Se",
"density": 6.640928396138,
"density_atomic": 0.04424181025874592,
"volume": 361.64885447554775,
"volume_molar": 13.611876920903153,
"formula_full": "Ce4 Cu4 Se8",
"formula_reduced": "CeCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8123006708333333,
"spacegroup": 14
},
{
"id": "jvasp-88482",
"created_at": "2022-09-04T14:36:00.383932Z",
"updated_at": "2022-09-04T14:36:00.383966Z",
"structure_string": "Sr4 Dy2 Sb2 O12\n1.0\n5.846431 0.000000 -0.020515\n0.000000 5.908477 0.000000\n-0.002140 0.000000 8.297199\nSr Dy Sb O\n4 2 2 12\ndirect\n0.508326 0.464673 0.749599 Sr\n0.008327 0.035327 0.249599 Sr\n0.491673 0.535327 0.250401 Sr\n0.991673 0.964673 0.750402 Sr\n-0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.578888 0.978078 0.264157 O\n0.196526 0.774744 0.043001 O\n0.303474 0.274743 0.456999 O\n0.773615 0.199856 0.540687 O\n0.078888 0.521923 0.764156 O\n0.803473 0.225257 0.957000 O\n0.696526 0.725257 0.543001 O\n0.273616 0.300144 0.040687 O\n0.421111 0.021923 0.735844 O\n0.921111 0.478078 0.235844 O\n0.726384 0.699857 0.959314 O\n0.226384 0.800144 0.459314 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Dy-O-Sb-Sr",
"density": 6.436693815560536,
"density_atomic": 0.06978024736023956,
"volume": 286.6140599466533,
"volume_molar": 8.630151063969121,
"formula_full": "Sr4 Dy2 Sb2 O12",
"formula_reduced": "Sr2DySbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6667676219999996,
"spacegroup": 14
},
{
"id": "jvasp-95416",
"created_at": "2022-09-04T14:36:00.378651Z",
"updated_at": "2022-09-04T14:36:00.378683Z",
"structure_string": "Se8 Br8\n1.0\n4.855045 0.106619 0.000000\n-0.738408 7.388688 0.000000\n0.000000 0.000000 14.091743\nSe Br\n8 8\ndirect\n0.100704 0.381355 0.136444 Se\n0.399295 0.618646 0.636444 Se\n0.899295 0.618646 0.863556 Se\n0.600704 0.381355 0.363556 Se\n0.828392 0.206222 0.038018 Se\n0.671606 0.793779 0.538018 Se\n0.171606 0.793779 0.961981 Se\n0.328393 0.206222 0.461982 Se\n0.863670 0.663523 0.145527 Br\n0.636328 0.336478 0.645527 Br\n0.136329 0.336478 0.854473 Br\n0.363670 0.663523 0.354473 Br\n0.493124 0.042985 0.147149 Br\n0.006875 0.957016 0.647149 Br\n0.506875 0.957016 0.852851 Br\n0.993123 0.042985 0.352851 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 4.165692273143591,
"density_atomic": 0.031582215278961115,
"volume": 506.6142402828404,
"volume_molar": 19.068139162523295,
"formula_full": "Se8 Br8",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.4023937358333333,
"spacegroup": 14
},
{
"id": "jvasp-85283",
"created_at": "2022-09-04T14:36:00.490099Z",
"updated_at": "2022-09-04T14:36:00.490134Z",
"structure_string": "I8 Cl8\n1.0\n4.327785 0.000000 0.000000\n0.000000 15.209240 -1.534987\n0.000000 1.952732 8.575751\nI Cl\n8 8\ndirect\n0.512219 0.764401 0.178638 I\n0.012220 0.735599 0.821362 I\n0.753238 0.410873 0.745817 I\n0.746760 0.910873 0.745817 I\n0.253239 0.089127 0.254183 I\n-0.012220 0.264401 0.178638 I\n0.246761 0.589127 0.254183 I\n0.487780 0.235599 0.821362 I\n0.255969 0.585243 0.931012 Cl\n0.744029 0.414757 0.068987 Cl\n0.238807 0.596323 0.527635 Cl\n0.755969 0.914757 0.068987 Cl\n0.261193 0.096323 0.527636 Cl\n0.244030 0.085243 0.931013 Cl\n0.761192 0.403677 0.472364 Cl\n-0.261193 0.903677 0.472364 Cl\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"Cl"
],
"chemical_system": "Cl-I",
"density": 3.735067606538113,
"density_atomic": 0.027708121939153087,
"volume": 577.4480145257022,
"volume_molar": 21.734207656601896,
"formula_full": "I8 Cl8",
"formula_reduced": "ICl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0297980225,
"spacegroup": 14
},
{
"id": "jvasp-95080",
"created_at": "2022-09-04T14:36:00.539405Z",
"updated_at": "2022-09-04T14:36:00.539431Z",
"structure_string": "Na10 Fe6 F28\n1.0\n7.226892 0.000000 0.000000\n0.000000 7.372795 -0.076794\n0.000000 0.036323 10.362023\nNa Fe F\n10 6 28\ndirect\n0.312131 0.762633 0.748485 Na\n0.187869 0.262633 0.248485 Na\n0.687869 0.237366 0.251515 Na\n0.721494 0.222688 0.735977 Na\n0.221494 0.277311 0.764023 Na\n0.778506 0.722688 0.235977 Na\n0.000000 -0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.278506 0.777311 0.264023 Na\n0.812131 0.737366 0.751515 Na\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.000000 0.499999 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.909082 0.750956 0.986018 F\n0.839869 0.453690 0.853108 F\n0.090918 0.249043 0.013982 F\n0.034620 0.971484 0.183617 F\n0.486154 0.198022 0.891390 F\n0.758200 0.571472 0.541761 F\n0.258201 0.928526 0.958239 F\n0.590918 0.250957 0.486018 F\n0.534620 0.528515 0.316384 F\n0.284178 0.041280 0.389832 F\n0.465380 0.471484 0.683616 F\n0.513846 0.801977 0.108611 F\n0.013846 0.698021 0.391390 F\n0.569953 0.846578 0.866279 F\n0.339869 0.046309 0.646892 F\n0.069953 0.653420 0.633721 F\n0.741799 0.071473 0.041761 F\n0.215822 0.541279 0.889833 F\n0.930047 0.346579 0.366279 F\n0.160131 0.546309 0.146892 F\n0.430046 0.153421 0.133721 F\n0.784178 0.458720 0.110168 F\n0.965379 0.028515 0.816383 F\n0.660131 0.953690 0.353108 F\n0.409082 0.749042 0.513982 F\n0.715822 0.958719 0.610168 F\n0.986154 0.301977 0.608610 F\n0.241799 0.428527 0.458239 F\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"Fe",
"F"
],
"chemical_system": "F-Fe-Na",
"density": 3.2989907788632356,
"density_atomic": 0.07969086573286935,
"volume": 552.1335424751413,
"volume_molar": 7.556877070688045,
"formula_full": "Na10 Fe6 F28",
"formula_reduced": "Na5Fe3F14",
"formula_anonymous": "A3B5C14",
"energy_above_hull": 0.3154934149999999,
"spacegroup": 14
},
{
"id": "jvasp-97866",
"created_at": "2022-09-04T14:36:00.540546Z",
"updated_at": "2022-09-04T14:36:00.540575Z",
"structure_string": "Cd8 S8 O24\n1.0\n5.620448 0.014840 0.000000\n-1.473066 8.373730 0.000000\n0.000000 0.000000 12.609381\nCd S O\n8 8 24\ndirect\n0.676915 0.881951 0.420127 Cd\n0.132970 0.644203 0.256161 Cd\n0.323084 0.618048 0.920126 Cd\n0.867030 0.355797 0.743839 Cd\n0.867029 0.855797 0.756161 Cd\n0.323084 0.118048 0.579873 Cd\n0.676916 0.381951 0.079873 Cd\n0.132970 0.144203 0.243839 Cd\n0.905589 0.258389 0.475256 S\n0.905589 0.758389 0.024744 S\n0.094410 0.241611 0.975256 S\n0.094410 0.741611 0.524744 S\n0.462904 0.031766 0.828649 S\n0.537096 0.968234 0.171351 S\n0.537096 0.468234 0.328649 S\n0.462904 0.531766 0.671351 S\n0.995416 0.738746 0.409766 O\n0.754558 0.984445 0.250732 O\n0.336753 0.861292 0.525781 O\n0.004584 0.261254 0.590234 O\n0.915009 0.340162 0.921877 O\n0.084990 0.659838 0.078123 O\n0.684589 0.588595 0.745822 O\n0.754559 0.484445 0.249268 O\n0.509927 0.861169 0.852597 O\n0.490072 0.138831 0.147403 O\n0.245441 0.515555 0.750732 O\n0.684589 0.088595 0.754178 O\n0.004583 0.761254 0.909766 O\n0.490072 0.638831 0.352597 O\n0.245441 0.015555 0.749267 O\n0.336754 0.361292 0.974219 O\n0.509928 0.361169 0.647403 O\n0.315411 0.411405 0.254178 O\n0.663246 0.138708 0.474219 O\n0.915009 0.840162 0.578123 O\n0.315410 0.911405 0.245822 O\n0.995416 0.238746 0.090234 O\n0.663246 0.638708 0.025781 O\n0.084991 0.159838 0.421877 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.306518118626487,
"density_atomic": 0.06737125886176298,
"volume": 593.7249900892423,
"volume_molar": 8.938738657617556,
"formula_full": "Cd8 S8 O24",
"formula_reduced": "CdSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.27986805,
"spacegroup": 14
},
{
"id": "jvasp-47992",
"created_at": "2022-09-04T14:36:00.632907Z",
"updated_at": "2022-09-04T14:36:00.632933Z",
"structure_string": "Li4 Mn6 F16\n1.0\n0.000000 5.771163 0.076847\n8.570735 0.000000 0.000000\n0.000000 -4.824092 -7.917797\nLi Mn F\n4 6 16\ndirect\n0.876307 0.299224 0.815960 Li\n0.123693 0.799224 0.684040 Li\n0.876306 0.200775 0.315960 Li\n0.123693 0.700775 0.184040 Li\n0.493315 0.643728 0.608060 Mn\n0.500000 0.500000 -0.000000 Mn\n0.506685 0.143728 0.891940 Mn\n0.506685 0.356272 0.391940 Mn\n0.500000 0.000000 0.500000 Mn\n0.493314 0.856272 0.108060 Mn\n0.713308 0.057804 0.141133 F\n0.754548 0.347059 0.963569 F\n0.240808 0.201783 0.397829 F\n0.245452 0.847059 0.536431 F\n0.336452 0.608843 0.756633 F\n0.759191 0.701783 0.102170 F\n0.286692 0.942195 0.858867 F\n0.245451 0.652941 0.036431 F\n0.663547 0.391157 0.243367 F\n0.754548 0.152941 0.463569 F\n0.759192 0.798217 0.602171 F\n0.286691 0.557804 0.358867 F\n0.713308 0.442196 0.641133 F\n0.336452 0.891156 0.256633 F\n0.240808 0.298217 0.897829 F\n0.663548 0.108843 0.743367 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.827114590007561,
"density_atomic": 0.06693069338253978,
"volume": 388.4615366435547,
"volume_molar": 8.997577128897634,
"formula_full": "Li4 Mn6 F16",
"formula_reduced": "Li2Mn3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.0240541526259948,
"spacegroup": 14
}
]
}