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{
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{
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"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.291698 -0.000000 -0.000000\n-1.645848 2.850664 0.000025\n-0.000000 0.000266 34.447399\nMo W Se S\n1 3 6 2\ndirect\n0.333233 0.666467 0.095021 Mo\n0.333336 0.666671 0.467011 W\n0.666653 0.333305 0.280914 W\n0.666779 0.333556 0.659974 W\n0.333438 0.666879 0.709147 Se\n0.666568 0.333135 0.046131 Se\n0.666660 0.333319 0.417795 Se\n0.666556 0.333110 0.143958 Se\n0.666671 0.333342 0.516235 Se\n0.333457 0.666915 0.610741 Se\n0.333323 0.666644 0.325693 S\n0.333327 0.666654 0.236129 S\n",
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{
"id": "jvasp-12495",
"created_at": "2022-09-04T14:38:34.449463Z",
"updated_at": "2022-09-04T14:38:34.449492Z",
"structure_string": "Na3 Hg6 I3 O6\n1.0\n3.370542 -5.837951 -0.000000\n3.370542 5.837951 0.000000\n0.000000 0.000000 10.085276\nNa Hg I O\n3 6 3 6\ndirect\n0.000000 0.000000 0.666667 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.333333 Na\n0.500000 -0.000000 0.167889 Hg\n-0.000000 0.500000 0.834556 Hg\n0.500000 0.500000 0.501223 Hg\n-0.000000 0.500000 0.498778 Hg\n0.500000 -0.000000 0.832112 Hg\n0.500000 0.500000 0.165445 Hg\n0.500000 0.500000 0.833333 I\n0.500000 -0.000000 0.500000 I\n-0.000000 0.500000 0.166667 I\n0.147045 0.852955 0.833333 O\n0.852955 0.147045 0.833333 O\n0.147045 0.294090 0.500000 O\n0.705910 0.852955 0.166667 O\n0.294090 0.147045 0.166667 O\n0.852955 0.705910 0.500000 O\n",
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{
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"structure_string": "Ni8 Mo12 N4\n1.0\n6.656191 0.000000 0.000000\n-0.000000 6.656191 -0.000000\n0.000000 0.000000 6.656191\nNi Mo N\n8 12 4\ndirect\n0.933714 0.566286 0.433714 Ni\n0.183714 0.816286 0.316286 Ni\n0.433714 0.933714 0.566286 Ni\n0.683714 0.683714 0.683714 Ni\n0.816286 0.316286 0.183714 Ni\n0.316286 0.183714 0.816286 Ni\n0.566286 0.433714 0.933714 Ni\n0.066286 0.066286 0.066286 Ni\n0.799028 0.950972 0.375000 Mo\n0.125000 0.200972 0.450972 Mo\n0.375000 0.799028 0.950972 Mo\n0.875000 0.700972 0.049028 Mo\n0.625000 0.299028 0.549028 Mo\n0.700972 0.049028 0.875000 Mo\n0.299028 0.549028 0.625000 Mo\n0.950972 0.375000 0.799028 Mo\n0.450972 0.125000 0.200972 Mo\n0.049028 0.875000 0.700972 Mo\n0.200972 0.450972 0.125000 Mo\n0.549028 0.625000 0.299028 Mo\n0.125000 0.625000 0.875000 N\n0.875000 0.125000 0.625000 N\n0.625000 0.875000 0.125000 N\n0.375000 0.375000 0.375000 N\n",
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{
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"structure_string": "Al4 Se6\n1.0\n6.763729 -0.000000 0.000000\n-3.381864 5.034619 -3.046510\n0.000000 0.015215 7.418078\nAl Se\n4 6\ndirect\n0.638164 0.083379 0.128073 Al\n0.445216 0.083379 0.628074 Al\n0.267331 0.400401 0.116921 Al\n0.133069 0.400401 0.616921 Al\n0.909398 0.988555 0.988357 Se\n0.079158 0.988554 0.488357 Se\n0.593543 0.351217 0.013356 Se\n0.757675 0.351218 0.513356 Se\n0.241955 0.676250 0.003294 Se\n0.434297 0.676251 0.503294 Se\n",
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{
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"updated_at": "2022-09-04T14:38:34.424950Z",
"structure_string": "Y4 Ge10 Ru6\n1.0\n5.462472 -0.000000 1.978594\n2.105500 7.743620 2.716822\n0.020833 -0.016233 8.472143\nY Ge Ru\n4 10 6\ndirect\n0.860429 0.370904 0.908237 Y\n0.639570 0.091762 0.629096 Y\n0.139570 0.629096 0.091762 Y\n0.360429 0.908238 0.370903 Y\n0.542234 0.707765 0.707765 Ge\n0.912917 0.762855 0.411308 Ge\n0.042234 0.707765 0.707765 Ge\n0.587081 0.588692 0.237145 Ge\n0.250000 -0.000000 -0.000000 Ge\n0.750000 -0.000000 -0.000000 Ge\n0.087081 0.237146 0.588691 Ge\n0.412917 0.411309 0.762854 Ge\n0.457765 0.292235 0.292235 Ge\n0.957764 0.292235 0.292234 Ge\n0.749999 0.500000 0.499999 Ru\n0.647405 0.760321 0.944865 Ru\n0.852593 0.055135 0.239679 Ru\n0.147406 0.944866 0.760321 Ru\n0.352594 0.239679 0.055134 Ru\n0.250000 0.500000 0.500000 Ru\n",
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"structure_string": "Sr1 Si1 H2\n1.0\n-0.000000 3.077862 3.077862\n3.077862 -0.000000 3.077862\n3.077862 3.077862 -0.000000\nSr Si H\n1 1 2\ndirect\n0.499999 0.499999 0.499999 Sr\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
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{
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"updated_at": "2022-09-04T14:38:34.418796Z",
"structure_string": "Na8 Sn2 O6\n1.0\n5.501886 -0.021977 1.922908\n1.900626 5.542001 0.664268\n0.002713 -0.010988 8.824778\nNa Sn O\n8 2 6\ndirect\n0.522806 0.252623 0.932284 Na\n0.963490 0.219010 0.086692 Na\n0.600175 0.694113 0.717756 Na\n0.317930 0.194114 0.282244 Na\n0.755028 0.248833 0.507587 Na\n0.262615 0.748833 0.492414 Na\n0.050181 0.719010 0.913309 Na\n0.455090 0.752624 0.067717 Na\n0.864675 0.747823 0.288530 Sn\n0.153204 0.247824 0.711470 Sn\n0.049964 0.971611 0.323540 O\n0.373503 0.471611 0.676461 O\n0.177812 0.511424 0.132439 O\n0.310250 0.011424 0.867562 O\n0.703112 0.962059 0.125061 O\n0.828172 0.462058 0.874940 O\n",
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{
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{
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"structure_string": "K12 Mg2 O8\n1.0\n4.241311 -7.346166 -0.000000\n4.241311 7.346166 0.000000\n0.000000 0.000000 6.583061\nK Mg O\n12 2 8\ndirect\n0.071169 0.535585 0.679808 K\n0.142959 0.285917 0.000620 K\n0.857041 0.142959 0.500620 K\n0.142959 0.857041 0.000620 K\n0.714083 0.857041 0.000620 K\n0.857041 0.714083 0.500620 K\n0.285917 0.142959 0.500620 K\n0.928831 0.464415 0.179808 K\n0.535585 0.464415 0.179808 K\n0.464415 0.535585 0.679808 K\n0.535585 0.071169 0.179808 K\n0.464415 0.928831 0.679808 K\n0.333333 0.666667 0.283452 Mg\n0.666667 0.333333 0.783452 Mg\n0.402323 0.201162 0.883970 O\n0.333333 0.666667 0.977555 O\n0.666667 0.333333 0.477555 O\n0.798838 0.597677 0.883970 O\n0.597677 0.798838 0.383970 O\n0.201161 0.798838 0.383970 O\n0.798838 0.201161 0.883970 O\n0.201162 0.402323 0.383970 O\n",
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{
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"structure_string": "Li4 Cu2 F10\n1.0\n2.924130 -0.002470 -0.001821\n0.006480 7.173438 -0.000002\n0.005609 0.000304 8.487794\nLi Cu F\n4 2 10\ndirect\n0.504121 0.430705 0.141206 Li\n0.504123 0.930644 0.357961 Li\n0.504235 0.067690 0.641186 Li\n0.504196 0.567736 0.857974 Li\n0.004214 0.999244 0.999601 Cu\n0.004187 0.499189 0.499595 Cu\n0.004152 0.499195 0.999579 F\n0.504192 0.163936 0.063186 F\n0.004198 0.898245 0.203985 F\n0.004176 0.398250 0.295190 F\n0.504168 0.663893 0.436031 F\n0.004161 -0.000854 0.499589 F\n0.504235 0.334482 0.563155 F\n0.004220 0.600154 0.703988 F\n0.004262 0.100186 0.795192 F\n0.504281 0.834533 0.936050 F\n",
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{
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"updated_at": "2022-09-04T14:38:34.405465Z",
"structure_string": "Er4 Si4 Pd8\n1.0\n5.514620 0.000000 0.000000\n-0.000000 6.976656 0.000000\n0.000000 0.000000 7.277331\nEr Si Pd\n4 4 8\ndirect\n0.142043 0.750000 0.527746 Er\n0.642043 0.250000 0.972254 Er\n0.857957 0.250000 0.472254 Er\n0.357957 0.750000 0.027746 Er\n0.857581 0.750000 0.879511 Si\n0.357581 0.250000 0.620489 Si\n0.142419 0.250000 0.120489 Si\n0.642419 0.750000 0.379511 Si\n0.908204 0.949275 0.180679 Pd\n0.408204 0.050726 0.319321 Pd\n0.091796 0.449275 0.819321 Pd\n0.591796 0.550726 0.680679 Pd\n0.091796 0.050726 0.819321 Pd\n0.591796 0.949275 0.680679 Pd\n0.908204 0.550726 0.180679 Pd\n0.408204 0.449275 0.319321 Pd\n",
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}