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{
"id": "jvasp-111928",
"created_at": "2022-09-04T14:38:39.466683Z",
"updated_at": "2022-09-04T14:38:39.466703Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.119867 0.052607 -0.710409\n-2.524027 4.345889 0.289626\n0.016098 -0.144703 9.676202\nLi Mn O F\n8 4 8 4\ndirect\n0.187087 0.862800 0.506230 Li\n-0.000000 0.500000 0.000000 Li\n0.064494 0.138932 0.251812 Li\n0.678077 0.875864 0.992157 Li\n0.500000 0.500000 0.500000 Li\n0.321924 0.124139 0.007843 Li\n0.935506 0.861069 0.748188 Li\n0.812914 0.137201 0.493770 Li\n0.577354 0.155712 0.750453 Mn\n0.751411 0.491519 0.249352 Mn\n0.248590 0.508482 0.750648 Mn\n0.422647 0.844290 0.249547 Mn\n0.057768 0.805436 0.148232 O\n0.289929 0.818208 0.872579 O\n0.521872 0.828556 0.635538 O\n0.254610 0.195528 0.643822 O\n0.745391 0.804473 0.356178 O\n0.478129 0.171445 0.364462 O\n0.710072 0.181794 0.127422 O\n0.942233 0.194566 0.851768 O\n0.352444 0.487617 0.118418 F\n0.124043 0.468635 0.389665 F\n0.647557 0.512385 0.881582 F\n0.875958 0.531366 0.610335 F\n",
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{
"id": "jvasp-107702",
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"structure_string": "Tm2 Sb6\n1.0\n6.572190 0.000000 0.000000\n-3.286095 5.691684 0.000000\n0.000000 0.000000 5.790320\nTm Sb\n2 6\ndirect\n0.333334 0.666666 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.175453 0.350905 0.250000 Sb\n0.649095 0.824547 0.250000 Sb\n0.175453 0.824547 0.250000 Sb\n0.824547 0.649094 0.750000 Sb\n0.350906 0.175453 0.750000 Sb\n0.824547 0.175453 0.750000 Sb\n",
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{
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"created_at": "2022-09-04T14:37:58.795667Z",
"updated_at": "2022-09-04T14:37:58.795693Z",
"structure_string": "Tm2 Pu6\n1.0\n6.780811 0.000000 0.000000\n-3.390406 5.872355 0.000000\n-0.000000 -0.000000 5.439570\nTm Pu\n2 6\ndirect\n0.333333 0.666666 0.750000 Tm\n0.666666 0.333333 0.250000 Tm\n0.164086 0.328171 0.250000 Pu\n0.671827 0.835913 0.250000 Pu\n0.164085 0.835913 0.250000 Pu\n0.835913 0.671828 0.750000 Pu\n0.328171 0.164086 0.750000 Pu\n0.835913 0.164086 0.750000 Pu\n",
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"volume": 216.60002951504984,
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"formula_full": "Tm2 Pu6",
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},
{
"id": "jvasp-19378",
"created_at": "2022-09-04T14:38:30.978387Z",
"updated_at": "2022-09-04T14:38:30.978407Z",
"structure_string": "Zn4 Mo4 O12\n1.0\n5.279555 0.000000 0.000000\n0.000000 5.274773 0.000000\n0.000000 0.000000 7.778112\nZn Mo O\n4 4 12\ndirect\n0.014211 0.023015 0.250000 Zn\n0.514211 0.476985 0.750000 Zn\n0.485788 0.523015 0.250000 Zn\n0.985788 0.976984 0.750000 Zn\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.171710 0.172950 0.934763 O\n0.671710 0.327050 0.065236 O\n0.328289 0.672949 0.934763 O\n0.828289 0.827050 0.065236 O\n0.171710 0.172950 0.565236 O\n0.383304 0.906586 0.250000 O\n0.116696 0.406586 0.250000 O\n0.616695 0.093414 0.750000 O\n0.328289 0.672949 0.565236 O\n0.883303 0.593413 0.750000 O\n0.671710 0.327050 0.434763 O\n0.828289 0.827050 0.434763 O\n",
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},
{
"id": "jvasp-104890",
"created_at": "2022-09-04T14:36:58.565815Z",
"updated_at": "2022-09-04T14:36:58.565834Z",
"structure_string": "Ho4 Cd2 Pd4\n1.0\n7.680887 0.000000 0.000000\n0.000000 7.680887 0.000000\n-0.000000 -0.000000 3.671783\nHo Cd Pd\n4 2 4\ndirect\n0.670829 0.170829 0.500000 Ho\n0.329172 0.829172 0.500000 Ho\n0.170829 0.329172 0.500000 Ho\n0.829172 0.670829 0.500000 Ho\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.129467 0.629468 -0.000000 Pd\n0.870533 0.370533 -0.000000 Pd\n0.629468 0.870533 -0.000000 Pd\n0.370533 0.129467 -0.000000 Pd\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:37:33.731881Z",
"updated_at": "2022-09-04T14:37:33.731889Z",
"structure_string": "Sm4 Co4 Ge4\n1.0\n4.352691 0.000000 0.000000\n0.000000 6.946258 0.000000\n0.000000 0.000000 7.164598\nSm Co Ge\n4 4 4\ndirect\n0.250000 0.686731 0.976811 Sm\n0.750000 0.313270 0.023190 Sm\n0.750000 0.186730 0.523190 Sm\n0.250000 0.813270 0.476810 Sm\n0.750000 0.569194 0.355204 Co\n0.750000 0.930807 0.855204 Co\n0.250000 0.069193 0.144796 Co\n0.250000 0.430807 0.644796 Co\n0.750000 0.606915 0.694529 Ge\n0.750000 0.893085 0.194528 Ge\n0.250000 0.106915 0.805472 Ge\n0.250000 0.393085 0.305472 Ge\n",
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"volume": 216.62100924849042,
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{
"id": "jvasp-54717",
"created_at": "2022-09-04T14:36:38.597992Z",
"updated_at": "2022-09-04T14:36:38.598020Z",
"structure_string": "H14 Br2 O6\n1.0\n6.058278 -0.049948 0.564393\n0.118440 6.181263 -0.146418\n3.144601 0.175818 6.071700\nH Br O\n14 2 6\ndirect\n0.806445 0.464439 0.172569 H\n0.349302 0.143690 0.383384 H\n0.256987 0.441510 0.544106 H\n0.217325 0.227184 0.697828 H\n0.112064 0.778604 0.707471 H\n0.828067 0.284659 0.434081 H\n0.694042 0.254210 0.714571 H\n0.932888 0.658272 0.648643 H\n0.721255 0.723052 0.436400 H\n0.533049 0.748262 0.711662 H\n0.573252 -0.016753 0.165707 H\n0.283523 0.877942 0.363097 H\n0.073251 0.504593 0.158852 H\n0.716819 0.025600 0.558200 H\n0.528070 0.506424 -0.019814 Br\n0.994919 -0.000946 -0.000701 Br\n0.118553 0.695509 0.579045 O\n0.881006 0.488644 0.267864 O\n0.378527 0.011021 0.266793 O\n0.606241 0.827176 0.561601 O\n0.802806 0.177760 0.561181 O\n0.329483 0.294801 0.540542 O\n",
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{
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"structure_string": "S9\n1.0\n7.542710 0.000000 0.000000\n-3.771355 6.532178 0.000000\n-0.000000 0.000000 4.396727\nS\n9\ndirect\n0.113982 0.113982 0.500000 S\n0.454660 0.686401 0.737488 S\n0.686402 0.454660 0.262513 S\n0.886018 0.000000 0.166667 S\n0.231742 0.545341 0.070821 S\n0.313599 0.768259 0.404154 S\n0.545341 0.231742 0.929179 S\n0.768259 0.313599 0.595846 S\n0.000001 0.886018 0.833334 S\n",
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{
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"created_at": "2022-09-04T14:36:05.833182Z",
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"structure_string": "S9\n1.0\n7.542814 -0.000000 -0.000000\n-3.771407 6.532269 0.000000\n0.000000 -0.000000 4.396737\nS\n9\ndirect\n0.886011 0.886011 0.500000 S\n0.313228 0.545210 0.262793 S\n0.545209 0.313229 0.737208 S\n-0.000000 0.113989 0.833334 S\n0.454790 0.768019 0.929459 S\n0.231981 0.686772 0.596126 S\n0.768018 0.454790 0.070541 S\n0.686771 0.231981 0.403874 S\n0.113989 0.000000 0.166667 S\n",
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{
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"created_at": "2022-09-04T14:38:04.006021Z",
"updated_at": "2022-09-04T14:38:04.006042Z",
"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
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{
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"structure_string": "Cd2 Sn6\n1.0\n6.677100 0.000000 0.000000\n-3.338550 5.782538 0.000000\n-0.000000 -0.000000 5.611175\nCd Sn\n2 6\ndirect\n0.333333 0.666667 0.749999 Cd\n0.666667 0.333333 0.250000 Cd\n0.167017 0.334035 0.250000 Sn\n0.665965 0.832983 0.250000 Sn\n0.167017 0.832983 0.250000 Sn\n0.832983 0.665965 0.749999 Sn\n0.334035 0.167017 0.749999 Sn\n0.832983 0.167017 0.749999 Sn\n",
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{
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"created_at": "2022-09-04T14:36:01.619381Z",
"updated_at": "2022-09-04T14:36:01.619400Z",
"structure_string": "Ba4 Tc1 Ge1\n1.0\n-0.000000 4.767028 4.767028\n4.767028 -0.000000 4.767028\n4.767028 4.767028 0.000000\nBa Tc Ge\n4 1 1\ndirect\n0.124608 0.625131 0.625131 Ba\n0.625131 0.625131 0.625131 Ba\n0.625131 0.124608 0.625131 Ba\n0.625131 0.625131 0.124608 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Ge\n",
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]
}