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{
"id": "jvasp-78848",
"created_at": "2022-09-04T14:36:35.706956Z",
"updated_at": "2022-09-04T14:36:35.706982Z",
"structure_string": "Ce1 Se2\n1.0\n2.002469 -3.503614 0.107197\n-4.035422 0.023948 0.107197\n0.070798 0.121179 -24.594474\nCe Se\n1 2\ndirect\n0.070132 0.929867 -0.000000 Ce\n0.761744 0.288076 0.069451 Se\n0.711922 0.238253 0.930548 Se\n",
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{
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"structure_string": "Mg4 Mn4 F20\n1.0\n0.000000 5.017200 0.019349\n9.470827 0.000000 0.000000\n0.000000 -2.655927 -7.301135\nMg Mn F\n4 4 20\ndirect\n0.525481 0.012728 0.219901 Mg\n0.474519 0.512729 0.280099 Mg\n0.474518 0.987272 0.780098 Mg\n0.525480 0.487272 0.719901 Mg\n0.111822 0.759942 0.372012 Mn\n0.888177 0.259942 0.127987 Mn\n0.888177 0.240059 0.627987 Mn\n0.111822 0.740059 0.872012 Mn\n0.131059 0.102904 0.752938 F\n0.192559 0.139369 0.153487 F\n0.807441 0.639370 0.346512 F\n0.807171 0.158374 0.359489 F\n0.192558 0.360631 0.653487 F\n0.192829 0.658374 0.140511 F\n0.868940 0.602904 0.747061 F\n0.807440 0.860631 0.846512 F\n0.868940 0.897096 0.247061 F\n0.638580 0.110936 0.009778 F\n0.361419 0.889064 0.990222 F\n0.638580 0.389064 0.509777 F\n0.807170 0.341626 0.859488 F\n0.361419 0.610936 0.490222 F\n0.415992 0.619604 0.879599 F\n0.584006 0.119604 0.620400 F\n0.584007 0.380396 0.120400 F\n0.415993 0.880396 0.379599 F\n0.131059 0.397096 0.252939 F\n0.192828 0.841627 0.640511 F\n",
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{
"id": "jvasp-86612",
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"updated_at": "2022-09-04T14:35:49.811490Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140350 0.000000 -1.971849\n0.000000 6.613007 0.000000\n-0.016881 0.000000 8.535073\nK Eu Si S\n2 2 2 8\ndirect\n0.772428 0.693716 0.065826 K\n0.227572 0.193716 0.934173 K\n0.270637 0.210634 0.448853 Eu\n0.729363 0.710634 0.551147 Eu\n0.282915 0.677881 0.681715 Si\n0.717086 0.177881 0.318284 Si\n0.914347 0.129307 0.567649 S\n0.087257 0.677758 0.839353 S\n0.477559 0.942542 0.272043 S\n0.518731 0.443733 0.288529 S\n0.085653 0.629308 0.432350 S\n0.481270 0.943733 0.711470 S\n0.912743 0.177758 0.160646 S\n0.522441 0.442541 0.727957 S\n",
"nsites": 14,
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"formula_full": "K2 Eu2 Si2 S8",
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{
"id": "jvasp-21016",
"created_at": "2022-09-04T14:37:44.758481Z",
"updated_at": "2022-09-04T14:37:44.758508Z",
"structure_string": "Zr6 Sn6 Rh6\n1.0\n3.698163 -6.405406 0.000000\n3.698163 6.405406 -0.000000\n0.000000 0.000000 7.310385\nZr Sn Rh\n6 6 6\ndirect\n0.611637 0.017690 0.250000 Zr\n0.982309 0.593946 0.250000 Zr\n0.406053 0.388363 0.250000 Zr\n0.593946 0.982309 0.750000 Zr\n0.017690 0.611637 0.750000 Zr\n0.388363 0.406053 0.750000 Zr\n0.270617 -0.000000 0.500000 Sn\n-0.000000 0.270617 0.000000 Sn\n0.729383 0.729383 0.000000 Sn\n0.729383 0.729383 0.500000 Sn\n-0.000000 0.270617 0.500000 Sn\n0.270617 -0.000000 0.000000 Sn\n0.333332 0.666667 0.035657 Rh\n0.333332 0.666667 0.464343 Rh\n0.666667 0.333332 0.964344 Rh\n0.666667 0.333332 0.535657 Rh\n0.000000 0.000000 0.250000 Rh\n0.000000 0.000000 0.750000 Rh\n",
"nsites": 18,
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{
"id": "jvasp-86014",
"created_at": "2022-09-04T14:36:20.528861Z",
"updated_at": "2022-09-04T14:36:20.528894Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140417 0.000000 -1.971804\n0.000000 6.612869 0.000000\n-0.016940 0.000000 8.534699\nK Eu Si S\n2 2 2 8\ndirect\n0.772367 0.693698 0.065778 K\n0.227633 0.193698 0.934223 K\n0.270653 0.210641 0.448845 Eu\n0.729348 0.710641 0.551156 Eu\n0.282882 0.677881 0.681721 Si\n0.717118 0.177881 0.318279 Si\n0.914360 0.129333 0.567664 S\n0.087218 0.677740 0.839367 S\n0.477582 0.942533 0.272040 S\n0.518768 0.443743 0.288522 S\n0.085641 0.629333 0.432336 S\n0.481232 0.943743 0.711478 S\n0.912783 0.177740 0.160634 S\n0.522418 0.442533 0.727960 S\n",
"nsites": 14,
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"density": 3.331344593507054,
"density_atomic": 0.04042303669741491,
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"formula_full": "K2 Eu2 Si2 S8",
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{
"id": "jvasp-58393",
"created_at": "2022-09-04T14:37:33.678092Z",
"updated_at": "2022-09-04T14:37:33.678113Z",
"structure_string": "Yb4 Mg2 S8\n1.0\n6.826523 -0.000000 3.941294\n2.275508 6.436107 3.941294\n0.000000 0.000000 7.882590\nYb Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Yb\n0.500000 -0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 -0.000001 Yb\n0.875000 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.252081 0.252081 0.743755 S\n0.747918 0.747919 0.747918 S\n0.747918 0.747919 0.256244 S\n0.252081 0.743755 0.252081 S\n0.252081 0.252081 0.252081 S\n0.256245 0.747919 0.747918 S\n0.747918 0.256245 0.747918 S\n0.743755 0.252081 0.252081 S\n",
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"volume": 346.3313066738595,
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"formula_full": "Yb4 Mg2 S8",
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"spacegroup": 227
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{
"id": "jvasp-119028",
"created_at": "2022-09-04T14:38:51.238832Z",
"updated_at": "2022-09-04T14:38:51.238861Z",
"structure_string": "Pr4 Zn10 Pb2\n1.0\n8.701868 -0.022627 0.000000\n-7.528570 4.363903 0.000000\n-0.000000 -0.000000 9.159704\nPr Zn Pb\n4 10 2\ndirect\n0.205237 0.794762 0.250000 Pr\n0.794762 0.205237 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.815040 0.184959 0.391137 Zn\n0.184959 0.815040 0.608862 Zn\n0.815040 0.184959 0.108862 Zn\n0.184959 0.815040 0.891137 Zn\n0.659083 0.340916 0.485688 Zn\n0.340916 0.659083 0.514311 Zn\n0.659083 0.340916 0.014311 Zn\n0.340916 0.659083 0.985688 Zn\n0.391688 0.608311 0.250000 Zn\n0.608311 0.391688 0.750000 Zn\n0.553730 0.446269 0.250000 Pb\n0.446269 0.553730 0.750000 Pb\n",
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],
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{
"id": "jvasp-97732",
"created_at": "2022-09-04T14:35:43.150286Z",
"updated_at": "2022-09-04T14:35:43.150316Z",
"structure_string": "La4 Mg4 Si8\n1.0\n4.297805 -0.000000 -0.498734\n-0.057875 4.297415 -0.498734\n-0.002158 -0.002188 18.748781\nLa Mg Si\n4 4 8\ndirect\n0.548130 0.798131 0.596261 La\n0.298131 0.048131 0.096261 La\n0.701869 0.951870 0.903739 La\n0.451870 0.201869 0.403739 La\n0.375078 0.625079 0.250156 Mg\n0.874923 0.124922 0.249844 Mg\n0.125077 0.875079 0.750156 Mg\n0.624922 0.374922 0.749844 Mg\n0.014241 0.264241 0.528483 Si\n0.235758 0.485759 0.971517 Si\n0.172580 0.422581 0.845162 Si\n0.077419 0.327419 0.654838 Si\n0.985759 0.735759 0.471517 Si\n0.764242 0.514242 0.028483 Si\n0.827419 0.577420 0.154839 Si\n0.922581 0.672581 0.345162 Si\n",
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{
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"created_at": "2022-09-04T14:36:36.777873Z",
"updated_at": "2022-09-04T14:36:36.777888Z",
"structure_string": "Sr4 Li4 Bi4\n1.0\n4.910787 -0.000000 0.000000\n0.000000 8.178515 0.000000\n0.000000 0.000000 8.621142\nSr Li Bi\n4 4 4\ndirect\n0.750001 0.496337 0.707691 Sr\n0.250000 0.503662 0.292309 Sr\n0.750001 0.996337 0.792308 Sr\n0.250000 0.003662 0.207691 Sr\n0.750001 0.339662 0.075616 Li\n0.250000 0.660338 0.924384 Li\n0.750001 0.839662 0.424384 Li\n0.250000 0.160338 0.575616 Li\n0.750001 0.723857 0.093627 Bi\n0.250000 0.276143 0.906373 Bi\n0.750001 0.223857 0.406373 Bi\n0.250000 0.776142 0.593627 Bi\n",
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{
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"created_at": "2022-09-04T14:36:20.877700Z",
"updated_at": "2022-09-04T14:36:20.877711Z",
"structure_string": "Rb2 Al1 In1 Br6\n1.0\n6.825459 -0.000000 3.940680\n2.275153 6.435105 3.940680\n-0.000000 0.000000 7.881361\nRb Al In Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.774149 0.225851 0.225851 Br\n0.225851 0.225851 0.774149 Br\n0.225851 0.774149 0.774149 Br\n0.225851 0.774149 0.225851 Br\n0.774149 0.225851 0.774149 Br\n0.774149 0.774149 0.225851 Br\n",
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{
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"created_at": "2022-09-04T14:38:12.308226Z",
"updated_at": "2022-09-04T14:38:12.308237Z",
"structure_string": "Te4 Pb4 O12\n1.0\n5.366830 0.000000 0.000000\n-0.000000 5.366830 -0.000000\n-0.000000 0.000000 12.018337\nTe Pb O\n4 4 12\ndirect\n0.252863 0.256932 0.487694 Te\n0.256932 0.747137 0.237694 Te\n0.747137 0.743068 0.987695 Te\n0.743068 0.252863 0.737695 Te\n0.751294 0.243570 0.252223 Pb\n0.243570 0.248706 0.002223 Pb\n0.248706 0.756430 0.752223 Pb\n0.756430 0.751294 0.502223 Pb\n0.605978 0.978746 0.088385 O\n0.978746 0.394022 0.838385 O\n0.877822 0.521757 0.096349 O\n0.122178 0.478243 0.596349 O\n0.021253 0.605978 0.338385 O\n0.521757 0.122178 0.846350 O\n0.119713 0.066478 0.200548 O\n0.478243 0.877822 0.346349 O\n0.880287 0.933522 0.700548 O\n0.394022 0.021253 0.588385 O\n0.066478 0.880287 0.950548 O\n0.933522 0.119713 0.450548 O\n",
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{
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"structure_string": "K4 I4\n1.0\n-0.000000 4.846843 0.000000\n0.000000 0.000000 8.509034\n8.392757 0.000000 0.000000\nK I\n4 4\ndirect\n0.250000 0.500006 0.750069 K\n0.250000 0.000007 0.749931 K\n0.749999 0.499993 0.249931 K\n0.749999 -0.000007 0.250069 K\n0.250000 0.749892 0.416620 I\n0.250000 0.249892 0.083380 I\n0.749999 0.250108 0.583380 I\n0.749999 0.750108 0.916620 I\n",
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]
}