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{
"id": "jvasp-38251",
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"updated_at": "2022-09-04T14:38:16.553003Z",
"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
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{
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"updated_at": "2022-09-04T14:38:27.343752Z",
"structure_string": "Zn4 Sb4 O12\n1.0\n0.000000 5.475995 0.003177\n8.051230 0.000000 0.000000\n0.000000 -0.164495 -5.538461\nZn Sb O\n4 4 12\ndirect\n0.524038 0.750000 0.504904 Zn\n0.475960 0.250000 0.495096 Zn\n0.013574 0.750000 0.970233 Zn\n0.986425 0.250000 0.029766 Zn\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.351640 0.570493 0.311477 O\n0.873047 0.750000 0.628455 O\n0.648358 0.070493 0.688523 O\n0.608417 0.250000 0.134796 O\n0.820997 0.928143 0.136704 O\n0.179001 0.071857 0.863295 O\n0.820997 0.571857 0.136704 O\n0.351640 0.929507 0.311477 O\n0.391582 0.750000 0.865203 O\n0.648358 0.429507 0.688523 O\n0.179001 0.428143 0.863295 O\n0.126951 0.250000 0.371544 O\n",
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{
"id": "jvasp-44729",
"created_at": "2022-09-04T14:38:11.053174Z",
"updated_at": "2022-09-04T14:38:11.053203Z",
"structure_string": "Li6 Fe2 Si2 O10\n1.0\n4.843498 0.002352 -0.002947\n-1.596385 5.443208 0.018581\n-0.864133 -1.913433 5.985037\nLi Fe Si O\n6 2 2 10\ndirect\n0.686252 0.400091 0.392465 Li\n0.500000 -0.000000 -0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.313748 0.599910 0.607535 Li\n0.106761 0.200388 0.195170 Li\n0.893239 0.799612 0.804829 Li\n0.704615 0.901273 0.401647 Fe\n0.295386 0.098727 0.598353 Fe\n0.901833 0.306613 0.805617 Si\n0.098167 0.693387 0.194383 Si\n0.994617 0.248210 0.530181 O\n0.829746 0.840038 0.124673 O\n0.834691 0.369614 0.085626 O\n0.617029 0.984850 0.703347 O\n0.616664 0.420612 0.701755 O\n0.382972 0.015151 0.296653 O\n0.383336 0.579389 0.298245 O\n0.170254 0.159962 0.875327 O\n0.165310 0.630386 0.914374 O\n0.005383 0.751790 0.469819 O\n",
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"formula_full": "Li6 Fe2 Si2 O10",
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{
"id": "jvasp-55303",
"created_at": "2022-09-04T14:38:10.206187Z",
"updated_at": "2022-09-04T14:38:10.206207Z",
"structure_string": "Mn6 Te2 O12\n1.0\n6.270241 0.012496 -0.059940\n-0.060635 6.269959 -0.059940\n0.012352 0.012496 6.270515\nMn Te O\n6 2 12\ndirect\n0.440452 0.952042 0.252152 Mn\n0.747848 0.559549 0.047958 Mn\n0.047959 0.747849 0.559548 Mn\n0.559549 0.047959 0.747848 Mn\n0.952042 0.252153 0.440451 Mn\n0.252152 0.440452 0.952041 Mn\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.565322 0.429099 0.799084 O\n0.570902 0.200916 0.434678 O\n0.911399 0.045080 0.700520 O\n0.799085 0.565322 0.429098 O\n0.429099 0.799085 0.565321 O\n0.299479 0.088602 0.954920 O\n0.954921 0.299480 0.088601 O\n0.088602 0.954921 0.299479 O\n0.700521 0.911400 0.045079 O\n0.045079 0.700521 0.911398 O\n0.434679 0.570902 0.200915 O\n0.200915 0.434679 0.570901 O\n",
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"volume": 246.5341182293629,
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"formula_full": "Mn6 Te2 O12",
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"spacegroup": 148
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{
"id": "jvasp-45285",
"created_at": "2022-09-04T14:38:11.083120Z",
"updated_at": "2022-09-04T14:38:11.083147Z",
"structure_string": "Ba3 Ti3 B2 O12\n1.0\n4.427434 -7.668541 -0.000000\n4.427434 7.668541 -0.000000\n0.000000 0.000000 3.846216\nBa Ti B O\n3 3 2 12\ndirect\n0.595967 0.595967 0.500001 Ba\n-0.000000 0.404032 0.500001 Ba\n0.404032 -0.000000 0.500001 Ba\n0.235065 0.235065 0.000000 Ti\n-0.000000 0.764934 0.000000 Ti\n0.764934 -0.000000 0.000000 Ti\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.185379 -0.000000 0.000000 O\n0.263971 0.263971 0.500001 O\n-0.000000 0.736029 0.500001 O\n0.736029 -0.000000 0.500001 O\n0.185213 0.680008 0.000000 O\n0.814786 0.494794 0.000000 O\n0.505205 0.319991 0.000000 O\n0.680008 0.185213 0.000000 O\n-0.000000 0.185379 0.000000 O\n0.494794 0.814786 0.000000 O\n0.319991 0.505205 0.000000 O\n0.814621 0.814621 0.000000 O\n",
"nsites": 20,
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"volume": 261.1731370573379,
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"formula_full": "Ba3 Ti3 B2 O12",
"formula_reduced": "Ba3Ti3(BO6)2",
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"spacegroup": 189
},
{
"id": "jvasp-27717",
"created_at": "2022-09-04T14:38:16.366825Z",
"updated_at": "2022-09-04T14:38:16.366860Z",
"structure_string": "Mg2 Fe2 Ge4 O12\n1.0\n5.091518 -0.248802 0.869760\n0.986275 6.539438 0.651797\n-0.355296 0.004608 6.635930\nMg Fe Ge O\n2 2 4 12\ndirect\n0.750000 0.272324 0.727677 Mg\n0.250001 0.727677 0.272324 Mg\n0.750001 0.918898 0.081102 Fe\n0.249999 0.081103 0.918898 Fe\n0.787609 0.402282 0.204263 Ge\n0.712392 0.795738 0.597719 Ge\n0.212391 0.597719 0.795737 Ge\n0.287609 0.204263 0.402281 Ge\n0.636136 0.975699 0.783401 O\n0.863865 0.216600 0.024302 O\n0.613710 0.634498 0.137785 O\n0.886292 0.862216 0.365502 O\n0.386291 0.365503 0.862215 O\n0.897263 0.565922 0.706426 O\n0.102738 0.434079 0.293575 O\n0.397263 0.706426 0.565921 O\n0.136135 0.783401 0.975698 O\n0.602738 0.293575 0.434079 O\n0.113709 0.137785 0.634498 O\n0.363865 0.024302 0.216599 O\n",
"nsites": 20,
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],
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"formula_full": "Mg2 Fe2 Ge4 O12",
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},
{
"id": "jvasp-117407",
"created_at": "2022-09-04T14:38:26.496975Z",
"updated_at": "2022-09-04T14:38:26.496999Z",
"structure_string": "Tb4 Mn4 O12\n1.0\n5.287070 -0.000000 0.000000\n0.000000 5.647264 0.000000\n-0.000000 -0.000000 7.587292\nTb Mn O\n4 4 12\ndirect\n0.518449 0.572173 0.250000 Tb\n0.981551 0.072173 0.250000 Tb\n0.481551 0.427827 0.750000 Tb\n0.018449 0.927826 0.750000 Tb\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.303098 0.693500 0.553326 O\n0.196902 0.193500 0.946673 O\n0.303098 0.693500 0.946673 O\n0.196902 0.193500 0.553326 O\n0.696902 0.306499 0.446674 O\n0.104784 0.467521 0.250000 O\n0.895216 0.532479 0.750000 O\n0.604784 0.032479 0.750000 O\n0.803098 0.806499 0.446674 O\n0.395216 0.967520 0.250000 O\n0.803098 0.806499 0.053326 O\n0.696902 0.306499 0.053326 O\n",
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],
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"density_atomic": 0.08828563521350397,
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"formula_full": "Tb4 Mn4 O12",
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},
{
"id": "jvasp-55692",
"created_at": "2022-09-04T14:38:10.412568Z",
"updated_at": "2022-09-04T14:38:10.412606Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.330199 0.000944 7.991785\n2.421303 4.748507 7.991785\n0.001541 0.000944 9.606230\nK Li Al H\n4 2 2 12\ndirect\n0.714264 0.714263 0.714264 K\n0.872789 0.872789 0.872789 K\n0.127211 0.127210 0.127211 K\n0.285736 0.285736 0.285736 K\n0.592941 0.592940 0.592941 Li\n0.407059 0.407059 0.407059 Li\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.830823 0.393727 0.393727 H\n0.169177 0.606272 0.606272 H\n0.189779 0.189778 0.732799 H\n0.393727 0.830822 0.393727 H\n0.393728 0.393727 0.830822 H\n0.810222 0.267200 0.810222 H\n0.810221 0.810221 0.267201 H\n0.267201 0.810221 0.810222 H\n0.732799 0.189778 0.189778 H\n0.189778 0.732799 0.189778 H\n0.606273 0.169177 0.606273 H\n0.606272 0.606272 0.169177 H\n",
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],
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},
{
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"created_at": "2022-09-04T14:38:10.358401Z",
"updated_at": "2022-09-04T14:38:10.358429Z",
"structure_string": "Li4 Sb4 O12\n1.0\n4.902322 0.000000 0.000000\n0.000000 5.246696 0.000000\n0.000000 0.000000 8.632335\nLi Sb O\n4 4 12\ndirect\n0.000000 0.750001 0.691571 Li\n0.500000 0.750001 0.808430 Li\n0.000000 0.250000 0.308429 Li\n0.500000 0.250000 0.191571 Li\n0.000000 0.750001 0.094757 Sb\n0.500000 0.250000 0.594757 Sb\n0.000000 0.250000 0.905244 Sb\n0.500000 0.750001 0.405244 Sb\n0.289742 0.424198 0.419020 O\n0.210258 0.424198 0.080981 O\n0.750000 0.086230 0.750000 O\n0.789742 0.075802 0.080981 O\n0.250000 0.913771 0.250000 O\n0.789742 0.575803 0.919020 O\n0.250000 0.413770 0.750000 O\n0.289742 0.924198 0.580981 O\n0.710258 0.075802 0.419020 O\n0.710258 0.575803 0.580981 O\n0.750000 0.586230 0.250000 O\n0.210258 0.924198 0.919020 O\n",
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},
{
"id": "jvasp-117400",
"created_at": "2022-09-04T14:38:27.306933Z",
"updated_at": "2022-09-04T14:38:27.306959Z",
"structure_string": "Li8 Cr4 O8\n1.0\n2.868380 0.000098 0.000080\n-1.434381 6.913522 -2.432734\n-0.000225 0.163033 10.149526\nLi Cr O\n8 4 8\ndirect\n0.176932 0.353886 0.469170 Li\n0.426931 0.853884 0.719178 Li\n0.676933 0.353889 0.969168 Li\n0.926931 0.853883 0.219175 Li\n0.823068 0.646116 0.530825 Li\n0.073065 0.146110 0.780831 Li\n0.323071 0.646119 0.030824 Li\n0.573064 0.146108 0.280833 Li\n0.250008 0.500005 0.250000 Cr\n-0.000010 -0.000005 0.000000 Cr\n0.750014 0.500007 0.749999 Cr\n0.499987 -0.000008 0.500001 Cr\n0.713502 0.427059 0.359396 O\n0.963517 0.927066 0.609407 O\n0.213500 0.427062 0.859395 O\n0.463520 0.927068 0.109406 O\n0.286478 0.572932 0.640592 O\n0.536497 0.072941 0.890607 O\n0.786483 0.572932 0.140593 O\n0.036495 0.072936 0.390607 O\n",
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"formula_full": "Li8 Cr4 O8",
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},
{
"id": "jvasp-55673",
"created_at": "2022-09-04T14:38:10.120203Z",
"updated_at": "2022-09-04T14:38:10.120214Z",
"structure_string": "Na6 In2 Cl12\n1.0\n3.438068 -5.954909 0.000000\n3.438068 5.954909 0.000000\n-0.000000 0.000000 12.414931\nNa In Cl\n6 2 12\ndirect\n0.333333 0.666667 0.038671 Na\n0.333333 0.666667 0.461329 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.666667 0.333333 0.961329 Na\n0.666667 0.333333 0.538671 Na\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.955862 0.640397 0.372577 Cl\n0.359603 0.315466 0.372577 Cl\n0.044138 0.684534 0.872577 Cl\n0.315466 0.359603 0.872577 Cl\n0.640397 0.955862 0.872577 Cl\n0.955862 0.315466 0.127422 Cl\n0.640397 0.684534 0.627422 Cl\n0.684534 0.640397 0.127422 Cl\n0.044138 0.359603 0.627422 Cl\n0.359603 0.044138 0.127422 Cl\n0.315466 0.955862 0.627422 Cl\n0.684534 0.044138 0.372577 Cl\n",
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{
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"created_at": "2022-09-04T14:38:27.315398Z",
"updated_at": "2022-09-04T14:38:27.315420Z",
"structure_string": "La1 Pr3 Co8 P8\n1.0\n3.799988 -0.000000 0.000000\n0.000000 3.799988 0.000000\n-0.000000 -0.000000 21.880685\nLa Pr Co P\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.251653 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.748347 Pr\n-0.000000 0.500000 0.872479 Co\n0.500000 0.000000 0.624157 Co\n0.500000 0.000000 0.127521 Co\n-0.000000 0.500000 0.375842 Co\n-0.000000 0.500000 0.624157 Co\n0.500000 0.000000 0.375842 Co\n-0.000000 0.500000 0.127521 Co\n0.500000 0.000000 0.872479 Co\n0.000000 0.000000 0.676882 P\n0.500000 0.500000 0.074843 P\n0.000000 0.000000 0.323118 P\n0.500000 0.500000 0.571412 P\n0.000000 0.000000 0.819595 P\n0.000000 0.000000 0.180404 P\n0.500000 0.500000 0.428588 P\n0.500000 0.500000 0.925157 P\n",
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}
]
}