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{
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"structure_string": "As4 Pb6 O16\n1.0\n6.235729 0.000000 0.000000\n0.000000 6.955679 -2.871833\n0.000000 -0.020066 9.362112\nAs Pb O\n4 6 16\ndirect\n0.018233 0.196947 0.402264 As\n0.518233 0.303052 0.097736 As\n0.481767 0.696947 0.902264 As\n0.981767 0.803052 0.597736 As\n0.416626 0.092600 0.710765 Pb\n0.000000 0.000000 0.000000 Pb\n0.583374 0.907399 0.289235 Pb\n0.083374 0.592601 0.210765 Pb\n0.500000 0.500000 0.500000 Pb\n0.916626 0.407399 0.789235 Pb\n0.971262 0.958205 0.281938 O\n0.466928 0.815105 0.778745 O\n0.966928 0.684894 0.721255 O\n0.528738 0.458205 0.781938 O\n0.028738 0.041795 0.718062 O\n0.471262 0.541795 0.218062 O\n0.204382 0.736596 0.475977 O\n0.242326 0.234544 0.516676 O\n0.795618 0.263404 0.524023 O\n0.295618 0.236595 0.975977 O\n0.742326 0.265455 0.983324 O\n0.033072 0.315105 0.278745 O\n0.257674 0.734544 0.016676 O\n0.757674 0.765455 0.483324 O\n0.704382 0.763404 0.024023 O\n0.533073 0.184895 0.221255 O\n",
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{
"id": "jvasp-96077",
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"structure_string": "K12 Pb4 O10\n1.0\n6.357996 -0.020753 0.664292\n0.109437 7.470440 1.471097\n-0.008186 -0.025274 12.495587\nK Pb O\n12 4 10\ndirect\n0.781015 0.701710 0.124766 K\n0.588796 0.867219 0.625940 K\n0.411204 0.132782 0.374060 K\n0.218985 0.298291 0.875234 K\n0.435440 0.609904 0.364773 K\n0.564561 0.390096 0.635228 K\n0.920242 0.407940 0.384289 K\n0.079759 0.592060 0.615711 K\n0.315826 0.950149 0.122717 K\n0.684174 0.049852 0.877283 K\n0.304481 0.484735 0.123597 K\n0.695519 0.515266 0.876403 K\n0.915370 0.873001 0.355346 Pb\n0.237098 0.788747 0.865368 Pb\n0.762903 0.211254 0.134632 Pb\n0.084631 0.127000 0.644655 Pb\n0.646288 0.946705 0.244271 O\n0.353712 0.053296 0.755729 O\n0.516236 0.243799 0.024111 O\n0.483764 0.756202 0.975889 O\n0.746163 0.673840 0.480771 O\n0.253837 0.326161 0.519229 O\n0.622256 0.385212 0.242835 O\n0.377745 0.614789 0.757165 O\n0.084016 0.693395 0.258013 O\n0.915984 0.306606 0.741987 O\n",
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{
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"structure_string": "Zn2 H8 C4 O12\n1.0\n5.209607 -0.000000 1.793026\n2.559194 5.625834 1.029031\n0.075055 0.023285 8.246655\nZn H C O\n2 8 4 12\ndirect\n0.435761 0.749999 0.750000 Zn\n0.564239 0.250000 0.250000 Zn\n0.180377 0.190408 0.641564 H\n0.647772 0.311516 0.650719 H\n0.110008 0.188483 0.849281 H\n0.352228 0.688483 0.349281 H\n0.819623 0.809591 0.358436 H\n0.487648 0.690408 0.141564 H\n0.889992 0.811516 0.150719 H\n0.512351 0.309591 0.858436 H\n0.116993 0.248128 0.149717 C\n0.985163 0.748127 0.649717 C\n0.883007 0.751870 0.850283 C\n0.014836 0.251871 0.350283 C\n0.818767 0.746092 0.575962 O\n0.049377 0.752578 0.925191 O\n0.359176 0.246093 0.075962 O\n0.227148 0.747419 0.574809 O\n0.640823 0.753905 0.924038 O\n0.772852 0.252579 0.425191 O\n0.374660 0.625121 0.240082 O\n0.739863 0.874878 0.259918 O\n0.260136 0.125121 0.740082 O\n0.950623 0.247420 0.074809 O\n0.181232 0.253906 0.424038 O\n0.625340 0.374878 0.759918 O\n",
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{
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"structure_string": "Li8 Sn2 B4 O12\n1.0\n3.431616 0.000000 0.000000\n0.000000 8.831281 0.000000\n0.000000 0.000000 9.243509\nLi Sn B O\n8 2 4 12\ndirect\n0.500001 0.807271 0.979310 Li\n0.000000 0.992144 0.808147 Li\n0.500001 0.492144 0.691853 Li\n0.000000 0.307271 0.520690 Li\n0.000000 0.692729 0.479310 Li\n0.500001 0.507856 0.308147 Li\n0.000000 0.007856 0.191853 Li\n0.500001 0.192729 0.020690 Li\n0.000000 0.500000 0.000000 Sn\n0.500001 0.000000 0.500000 Sn\n0.500001 0.760539 0.229918 B\n0.000000 0.260539 0.270082 B\n0.500001 0.239461 0.770082 B\n0.000000 0.739461 0.729918 B\n0.000000 0.225462 0.123542 O\n0.500001 0.361521 0.867620 O\n0.000000 0.774538 0.876458 O\n0.500001 0.094560 0.825676 O\n0.000000 0.594560 0.674325 O\n0.500001 0.274538 0.623542 O\n0.000000 0.861521 0.632380 O\n0.000000 0.138479 0.367620 O\n0.500001 0.725462 0.376458 O\n0.000000 0.405440 0.325676 O\n0.500001 0.905440 0.174324 O\n0.500001 0.638479 0.132380 O\n",
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{
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"updated_at": "2022-09-04T14:36:07.735879Z",
"structure_string": "Te2 C8 Cl4 F12\n1.0\n6.912290 0.032679 -1.330658\n-1.038431 6.833922 -1.330658\n0.041449 0.048454 8.952861\nTe C Cl F\n2 8 4 12\ndirect\n0.428496 0.571504 0.750000 Te\n0.571504 0.428496 0.250000 Te\n0.571088 0.977752 0.702581 C\n0.153764 0.586662 0.817205 C\n0.413337 0.846236 0.682794 C\n0.977753 0.571088 0.202581 C\n0.428912 0.022247 0.297419 C\n0.846237 0.413337 0.182794 C\n0.022247 0.428911 0.797419 C\n0.586663 0.153763 0.317205 C\n0.241069 0.416413 0.475820 Cl\n0.758931 0.583586 0.524179 Cl\n0.583587 0.758931 0.024179 Cl\n0.416413 0.241068 0.975820 Cl\n0.144362 0.567573 0.151672 F\n0.748594 0.959234 0.773936 F\n0.251406 0.040765 0.226063 F\n0.040766 0.251406 0.726063 F\n0.959235 0.748594 0.273937 F\n0.880051 0.237725 0.109360 F\n0.432427 0.855638 0.348328 F\n0.567573 0.144361 0.651671 F\n0.237725 0.880051 0.609360 F\n0.762275 0.119949 0.390639 F\n0.855639 0.432426 0.848328 F\n0.119949 0.762274 0.890639 F\n",
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"structure_string": "B2 S4 N4 O2 F14\n1.0\n0.000000 5.764193 -0.006583\n7.688898 0.000000 0.000000\n0.000000 -2.710954 -7.694776\nB S N O F\n2 4 4 2 14\ndirect\n0.632487 0.750000 0.167534 B\n0.367513 0.250000 0.832467 B\n0.195910 0.750000 0.860040 S\n0.804090 0.250000 0.139960 S\n0.319643 0.750000 0.560921 S\n0.680358 0.250000 0.439079 S\n0.865216 0.250000 0.343704 N\n0.134785 0.750000 0.656296 N\n0.439258 0.750000 0.977355 N\n0.560742 0.250000 0.022645 N\n0.575949 0.750000 0.638230 O\n0.424052 0.250000 0.361770 O\n0.234588 0.600760 0.428536 F\n0.593962 0.599507 0.253610 F\n0.406038 0.099507 0.746390 F\n0.406038 0.400493 0.746390 F\n0.593962 0.900493 0.253610 F\n0.765412 0.100760 0.571464 F\n0.019649 0.899267 0.874261 F\n0.234588 0.899240 0.428536 F\n0.019649 0.600734 0.874261 F\n0.980351 0.100733 0.125739 F\n0.980351 0.399267 0.125739 F\n0.865494 0.750000 0.152212 F\n0.765412 0.399240 0.571464 F\n0.134506 0.250000 0.847789 F\n",
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{
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],
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"formula_full": "Mg6 As4 O16",
"formula_reduced": "Mg3(AsO4)2",
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"spacegroup": 14
},
{
"id": "jvasp-59073",
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"updated_at": "2022-09-04T14:36:57.420266Z",
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}