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{
"id": "jvasp-120690",
"created_at": "2022-09-04T14:38:52.964350Z",
"updated_at": "2022-09-04T14:38:52.964376Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.648409 0.000292 1.636358\n2.535340 5.047433 1.636358\n0.005201 0.003208 5.013273\nLi V Cr O\n4 2 2 8\ndirect\n0.120120 0.375263 0.753402 Li\n0.624737 0.879880 0.746598 Li\n0.375263 0.120120 0.253402 Li\n0.879881 0.624736 0.246598 Li\n0.617043 0.382957 0.750000 V\n0.382957 0.617043 0.250000 V\n0.120906 0.879094 0.750000 Cr\n0.879094 0.120906 0.250000 Cr\n0.484012 0.748242 0.509595 O\n0.988047 0.237776 0.509839 O\n0.237777 0.988046 0.009839 O\n0.515988 0.251758 0.490405 O\n0.011954 0.762223 0.490162 O\n0.251758 0.515988 0.990405 O\n0.748242 0.484012 0.009595 O\n0.762223 0.011954 0.990161 O\n",
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{
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"structure_string": "Li4 Al2 Co2 O8\n1.0\n5.396822 0.000000 0.000000\n-0.000000 3.909894 3.075736\n-0.000000 -0.001630 8.026132\nLi Al Co O\n4 2 2 8\ndirect\n0.331956 0.255190 0.247357 Li\n0.832287 0.506522 0.995731 Li\n0.668044 0.255190 0.747357 Li\n0.167712 0.506521 0.495731 Li\n0.670133 0.750914 0.246312 Al\n0.329867 0.750914 0.746312 Al\n0.167268 0.999211 0.000140 Co\n0.832732 0.999211 0.500140 Co\n0.679449 0.381852 0.256842 O\n0.181570 0.642123 0.978748 O\n0.166528 0.086722 0.514916 O\n0.644320 0.866063 0.737057 O\n0.320551 0.381852 0.756841 O\n0.818429 0.642123 0.478748 O\n0.833471 0.086722 0.014916 O\n0.355680 0.866063 0.237057 O\n",
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{
"id": "jvasp-121991",
"created_at": "2022-09-04T14:38:54.257882Z",
"updated_at": "2022-09-04T14:38:54.257917Z",
"structure_string": "La10 Sn6\n1.0\n9.508665 -0.000000 0.000000\n-4.754332 8.234745 0.000000\n-0.000000 -0.000000 6.955023\nLa Sn\n10 6\ndirect\n0.666667 0.333334 -0.000000 La\n0.333334 0.666667 -0.000000 La\n0.333334 0.666667 0.500000 La\n0.666667 0.333334 0.500000 La\n0.753801 0.753801 0.750000 La\n0.246199 0.000000 0.750000 La\n0.000000 0.246200 0.750000 La\n0.246199 0.246200 0.250000 La\n0.753800 0.000000 0.250000 La\n0.000000 0.753801 0.250000 La\n0.391342 0.391342 0.750000 Sn\n0.608658 0.000000 0.750000 Sn\n0.000000 0.608658 0.750000 Sn\n0.608658 0.608658 0.250000 Sn\n0.391342 0.000000 0.250000 Sn\n0.000000 0.391342 0.250000 Sn\n",
"nsites": 16,
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"volume": 544.5882574704569,
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"formula_full": "La10 Sn6",
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"spacegroup": 193
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{
"id": "jvasp-117235",
"created_at": "2022-09-04T14:38:49.523465Z",
"updated_at": "2022-09-04T14:38:49.523488Z",
"structure_string": "Ni4 Ge4 N8\n1.0\n5.382604 -0.000000 0.000000\n0.000000 6.436040 0.000000\n0.000000 -0.000000 5.164328\nNi Ge N\n4 4 8\ndirect\n0.576096 0.876945 0.997025 Ni\n0.423903 0.123055 0.497024 Ni\n0.923903 0.376945 0.497024 Ni\n0.076096 0.623055 0.997025 Ni\n0.578220 0.375663 0.998443 Ge\n0.421779 0.624337 0.498443 Ge\n0.921778 0.875663 0.498443 Ge\n0.078221 0.124337 0.998443 Ge\n0.573098 0.385416 0.363589 N\n0.426901 0.614584 0.863590 N\n0.926901 0.885416 0.863590 N\n0.073099 0.114584 0.363589 N\n0.591991 0.862820 0.381945 N\n0.408008 0.137180 0.881946 N\n0.908007 0.362820 0.881946 N\n0.091992 0.637180 0.381945 N\n",
"nsites": 16,
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{
"id": "jvasp-122529",
"created_at": "2022-09-04T14:38:53.511252Z",
"updated_at": "2022-09-04T14:38:53.511268Z",
"structure_string": "Cr4 O12\n1.0\n4.981675 -0.000000 0.000000\n0.000000 5.638322 0.000000\n0.000000 -0.000000 7.947155\nCr O\n4 12\ndirect\n0.941696 0.234974 0.250000 Cr\n0.441696 0.265026 0.750000 Cr\n0.558303 0.734974 0.250000 Cr\n0.058303 0.765026 0.750000 Cr\n0.126481 0.196832 0.088978 O\n0.126481 0.196832 0.411022 O\n0.817400 0.528760 0.250000 O\n0.317401 -0.028760 0.750000 O\n0.626481 0.303168 0.588978 O\n0.626481 0.303168 0.911023 O\n0.373519 0.696831 0.088978 O\n0.373519 0.696831 0.411022 O\n0.682598 0.028760 0.250000 O\n0.182599 0.471240 0.750000 O\n0.873518 0.803168 0.911023 O\n0.873518 0.803168 0.588978 O\n",
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"density": 2.9754138771433705,
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"volume": 223.2219764286856,
"volume_molar": 8.401713517368417,
"formula_full": "Cr4 O12",
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"spacegroup": 62
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{
"id": "jvasp-111625",
"created_at": "2022-09-04T14:38:50.607324Z",
"updated_at": "2022-09-04T14:38:50.607347Z",
"structure_string": "Tb10 Pt6\n1.0\n8.439372 0.000000 -0.000000\n-4.219686 7.308711 -0.000000\n0.000000 0.000000 6.198571\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.753972 0.753972 0.750000 Tb\n0.246028 0.000000 0.750000 Tb\n-0.000000 0.246028 0.750000 Tb\n0.246028 0.246028 0.250000 Tb\n0.753972 0.000000 0.250000 Tb\n-0.000000 0.753972 0.250000 Tb\n0.393039 0.393039 0.750000 Pt\n0.606960 0.000000 0.750000 Pt\n-0.000000 0.606961 0.750000 Pt\n0.606960 0.606961 0.250000 Pt\n0.393039 0.000000 0.250000 Pt\n-0.000000 0.393039 0.250000 Pt\n",
"nsites": 16,
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"formula_full": "Tb10 Pt6",
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},
{
"id": "jvasp-122092",
"created_at": "2022-09-04T14:38:53.338472Z",
"updated_at": "2022-09-04T14:38:53.338506Z",
"structure_string": "U4 Co8 Sn4\n1.0\n3.695814 0.000000 0.000000\n0.000000 10.072592 0.000000\n0.000000 0.000000 7.178441\nU Co Sn\n4 8 4\ndirect\n0.749999 0.880153 0.637342 U\n0.250000 0.119847 0.362658 U\n0.250000 0.619847 0.137342 U\n0.749999 0.380153 0.862658 U\n0.749999 0.660965 0.904495 Co\n0.250000 0.339035 0.095505 Co\n0.250000 0.839035 0.404495 Co\n0.749999 0.160965 0.595505 Co\n0.749999 0.657488 0.366687 Co\n0.250000 0.342512 0.633313 Co\n0.250000 0.842512 0.866687 Co\n0.749999 0.157488 0.133313 Co\n0.749999 0.894133 0.139800 Sn\n0.250000 0.105867 0.860199 Sn\n0.250000 0.605866 0.639800 Sn\n0.749999 0.394133 0.360199 Sn\n",
"nsites": 16,
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{
"id": "jvasp-121315",
"created_at": "2022-09-04T14:38:50.125888Z",
"updated_at": "2022-09-04T14:38:50.125915Z",
"structure_string": "Li4 Mn3 Co1 O8\n1.0\n2.836684 0.132196 -0.021309\n-0.266295 5.763017 -0.077624\n0.062273 -0.050098 8.082644\nLi Mn Co O\n4 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500016 0.757153 0.245158 Li\n0.499983 0.242847 0.754841 Li\n-0.000000 -0.000000 0.500000 Li\n0.499977 0.256466 0.250763 Mn\n0.000000 0.500000 0.500000 Mn\n0.500022 0.743535 0.749236 Mn\n0.000000 0.000000 0.000000 Co\n0.500198 0.766909 0.987795 O\n0.000194 0.021338 0.241175 O\n0.000224 0.508795 0.743844 O\n0.500221 0.263510 0.494131 O\n0.499801 0.233092 0.012204 O\n-0.000223 0.491205 0.256156 O\n-0.000193 0.978663 0.758825 O\n0.499778 0.736491 0.505869 O\n",
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"volume": 132.4141444743756,
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{
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"created_at": "2022-09-04T14:38:50.314548Z",
"updated_at": "2022-09-04T14:38:50.314579Z",
"structure_string": "V10 Si3 Ge3\n1.0\n7.081371 -0.002399 6.294962\n5.638036 4.287014 0.813439\n-0.001418 0.004213 7.108400\nV Si Ge\n10 3 3\ndirect\n0.769014 0.422648 0.577351 V\n0.229583 0.579498 0.420500 V\n0.729639 0.924693 0.075305 V\n0.267932 0.073662 0.926337 V\n0.924695 0.729636 0.270362 V\n0.073664 0.267931 0.732068 V\n0.422650 0.769012 0.230986 V\n0.579500 0.229582 0.770417 V\n0.754156 0.250170 0.245844 V\n0.250172 0.754155 0.749828 V\n0.665528 0.665526 0.334473 Si\n0.164404 0.834710 0.165288 Si\n0.834712 0.164402 0.835597 Si\n0.249776 0.249776 0.250224 Ge\n0.749777 0.749775 0.750223 Ge\n0.334810 0.334809 0.665190 Ge\n",
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{
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"created_at": "2022-09-04T14:38:49.517896Z",
"updated_at": "2022-09-04T14:38:49.517924Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.322355 -0.030380 -1.289524\n-1.923083 5.051172 -1.375390\n0.089112 -0.010583 7.163459\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.164410 0.833225 0.779851 Ca\n0.835589 0.166775 0.220150 Ca\n0.500000 0.500000 0.000000 Ti\n0.179486 0.816210 0.249815 Si\n0.820513 0.183791 0.750186 Si\n0.500000 0.500000 0.500000 Sn\n0.226826 0.111988 0.401761 O\n0.111188 0.259489 0.925907 O\n0.773173 0.888013 0.598240 O\n0.888812 0.740511 0.074094 O\n0.580843 0.422020 0.239012 O\n0.419156 0.577980 0.760989 O\n0.594399 0.181682 0.870436 O\n0.174986 0.611359 0.380314 O\n0.405600 0.818318 0.129565 O\n0.825013 0.388641 0.619687 O\n",
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{
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"created_at": "2022-09-04T14:38:52.955110Z",
"updated_at": "2022-09-04T14:38:52.955129Z",
"structure_string": "Dy10 Pt6\n1.0\n8.416315 -0.000000 0.000000\n-4.208157 7.288743 0.000000\n-0.000000 -0.000000 6.152054\nDy Pt\n10 6\ndirect\n0.666667 0.333333 0.500000 Dy\n0.333333 0.666666 0.500000 Dy\n0.333333 0.666666 -0.000000 Dy\n0.666667 0.333333 -0.000000 Dy\n0.754374 0.754373 0.250000 Dy\n0.245626 0.000000 0.250000 Dy\n-0.000000 0.245626 0.250000 Dy\n0.245626 0.245626 0.750000 Dy\n0.754374 0.000000 0.750000 Dy\n-0.000000 0.754373 0.750000 Dy\n0.393475 0.393475 0.250000 Pt\n0.606526 0.000000 0.250000 Pt\n-0.000000 0.606525 0.250000 Pt\n0.606525 0.606525 0.750000 Pt\n0.393475 0.000000 0.750000 Pt\n-0.000000 0.393475 0.750000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:50.654210Z",
"updated_at": "2022-09-04T14:38:50.654228Z",
"structure_string": "Sr12 Hg4\n1.0\n7.378806 -0.000000 0.000000\n0.000000 8.472345 0.000000\n-0.000000 -0.000000 10.881500\nSr Hg\n12 4\ndirect\n0.337666 0.679260 0.062078 Sr\n0.162334 0.179260 0.437922 Sr\n0.662334 0.320740 0.562078 Sr\n0.837666 0.820741 0.937922 Sr\n0.662334 0.320740 0.937922 Sr\n0.837666 0.820741 0.562078 Sr\n0.337666 0.679260 0.437922 Sr\n0.162334 0.179260 0.062078 Sr\n0.863037 0.530972 0.250000 Sr\n0.636963 0.030972 0.250000 Sr\n0.136963 0.469028 0.750000 Sr\n0.363037 0.969028 0.750000 Sr\n0.052909 0.881363 0.250000 Hg\n0.447091 0.381362 0.250000 Hg\n0.947092 0.118638 0.750000 Hg\n0.552909 0.618638 0.750000 Hg\n",
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}
]
}