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{
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{
"id": "jvasp-25192",
"created_at": "2022-09-04T14:38:28.131028Z",
"updated_at": "2022-09-04T14:38:28.131052Z",
"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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{
"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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"formula_full": "H14 Br2 O6",
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{
"id": "jvasp-23477",
"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",
"nsites": 12,
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"elements": [
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"density": 8.644795555020584,
"density_atomic": 0.055396288853194996,
"volume": 216.62100924849042,
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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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"density": 10.04372124245286,
"density_atomic": 0.04616366082058581,
"volume": 216.62060205460762,
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"formula_full": "Ho4 Cd2 Pd4",
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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",
"nsites": 20,
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"density": 6.419496404698987,
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{
"id": "jvasp-106991",
"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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"spacegroup": 194
},
{
"id": "jvasp-107702",
"created_at": "2022-09-04T14:36:56.268950Z",
"updated_at": "2022-09-04T14:36:56.268967Z",
"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",
"nsites": 8,
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"volume": 216.59750817266215,
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"formula_full": "Tm2 Sb6",
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"spacegroup": 194
},
{
"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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"formula_full": "Li8 Mn4 O8 F4",
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{
"id": "jvasp-44789",
"created_at": "2022-09-04T14:38:08.397066Z",
"updated_at": "2022-09-04T14:38:08.397094Z",
"structure_string": "Li4 Mn4 F12\n1.0\n5.034152 0.129143 -0.085661\n-2.403897 4.424951 -0.085347\n-0.162382 -0.280901 9.598932\nLi Mn F\n4 4 12\ndirect\n0.313412 0.649743 0.540360 Li\n0.350352 0.686660 0.959629 Li\n0.686589 0.350278 0.459640 Li\n0.649645 0.313359 0.040370 Li\n-0.007431 0.007557 0.749999 Mn\n0.007431 -0.007535 0.250001 Mn\n0.327831 0.672092 0.250002 Mn\n0.672169 0.327928 0.749998 Mn\n0.972035 0.333460 0.616652 F\n0.666625 0.028032 0.883345 F\n0.370213 0.342398 0.874151 F\n0.645616 0.985580 0.369330 F\n0.354380 0.014438 0.630669 F\n0.342325 0.370123 0.374142 F\n0.333373 0.971987 0.116655 F\n0.027965 0.666559 0.383347 F\n0.657675 0.629897 0.625858 F\n0.014305 0.354303 0.130688 F\n0.629786 0.657622 0.125849 F\n0.985696 0.645717 0.869312 F\n",
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{
"id": "jvasp-101746",
"created_at": "2022-09-04T14:36:47.847255Z",
"updated_at": "2022-09-04T14:36:47.847277Z",
"structure_string": "Al4 S6\n1.0\n5.750717 -0.019490 2.942021\n2.164748 5.327757 2.942021\n-0.018173 -0.012187 7.045057\nAl S\n4 6\ndirect\n0.181227 0.987536 0.496897 Al\n0.810446 0.673300 0.509679 Al\n0.987537 0.181226 0.996897 Al\n0.673300 0.810445 0.009678 Al\n0.297571 0.127774 0.113177 S\n0.964586 0.793586 0.124331 S\n0.627380 0.453573 0.130871 S\n0.127775 0.297571 0.613177 S\n0.793586 0.964586 0.624331 S\n0.453573 0.627380 0.630872 S\n",
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{
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"created_at": "2022-09-04T14:36:04.142430Z",
"updated_at": "2022-09-04T14:36:04.142456Z",
"structure_string": "Ba4 Ge1 Pt1\n1.0\n-0.000000 4.766280 4.766280\n4.766280 -0.000000 4.766280\n4.766280 4.766280 -0.000000\nBa Ge Pt\n4 1 1\ndirect\n0.124281 0.625240 0.625240 Ba\n0.625240 0.625240 0.625240 Ba\n0.625240 0.124281 0.625240 Ba\n0.625240 0.625240 0.124281 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pt\n",
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},
{
"id": "jvasp-54944",
"created_at": "2022-09-04T14:38:33.221110Z",
"updated_at": "2022-09-04T14:38:33.221141Z",
"structure_string": "Ba2 As4 Pd4\n1.0\n4.455201 -0.000000 -0.946644\n-0.201144 4.450657 -0.946644\n-0.007120 -0.007449 10.923590\nBa As Pd\n2 4 4\ndirect\n0.623400 0.623400 0.246799 Ba\n0.376601 0.376600 0.753202 Ba\n0.250001 0.750000 0.500000 As\n0.932358 0.932358 0.864715 As\n0.067643 0.067643 0.135285 As\n0.750000 0.250000 0.500000 As\n0.500000 0.000000 0.000000 Pd\n0.193454 0.193454 0.386907 Pd\n0.000000 0.500000 0.000000 Pd\n0.806547 0.806547 0.613094 Pd\n",
"nsites": 10,
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"density": 7.668795179940492,
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"formula_full": "Ba2 As4 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
]
}