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{
"id": "jvasp-40165",
"created_at": "2022-09-04T14:38:07.913981Z",
"updated_at": "2022-09-04T14:38:07.914003Z",
"structure_string": "Cu4 H12 N4 Cl4\n1.0\n-4.180805 4.180805 4.180805\n-4.180805 -4.180805 -4.180805\n4.180805 -4.180805 4.180805\nCu H N Cl\n4 12 4 4\ndirect\n0.000000 0.243549 0.000000 Cu\n0.499999 0.499999 0.243549 Cu\n0.756450 0.256450 0.256450 Cu\n0.743549 0.000000 0.499999 Cu\n0.134903 0.969470 0.988653 H\n0.646249 0.511345 0.980816 H\n0.488654 0.634903 0.969470 H\n0.853750 0.834568 0.865095 H\n0.019183 0.530528 0.665431 H\n0.365096 0.353750 0.834568 H\n0.165431 0.519182 0.530528 H\n0.030529 0.665431 0.519182 H\n0.480816 0.146249 0.511345 H\n0.334568 0.865095 0.353750 H\n0.011346 0.980816 0.146249 H\n0.469471 0.988653 0.634903 H\n0.499999 0.499999 0.980359 N\n0.000000 0.980359 0.000000 N\n0.480359 0.000000 0.499999 N\n0.019640 0.519639 0.519639 N\n0.499999 0.499999 0.536689 Cl\n0.000000 0.536689 0.000000 Cl\n0.036689 0.000000 0.499999 Cl\n0.463310 0.963310 0.963310 Cl\n",
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{
"id": "jvasp-28702",
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{
"id": "jvasp-9765",
"created_at": "2022-09-04T14:38:03.534232Z",
"updated_at": "2022-09-04T14:38:03.534242Z",
"structure_string": "Li3 Cd3 B3 O9\n1.0\n4.186701 -7.251580 0.000000\n4.186701 7.251580 -0.000000\n0.000000 -0.000000 3.267125\nLi Cd B O\n3 3 3 9\ndirect\n0.291047 0.007309 0.500001 Li\n0.716262 0.708953 0.500001 Li\n0.992691 0.283737 0.500001 Li\n0.631160 0.995642 0.000000 Cd\n0.004358 0.635519 0.000000 Cd\n0.364481 0.368839 0.000000 Cd\n0.666667 0.333333 0.500001 B\n0.333333 0.666667 0.500001 B\n0.000000 0.000000 0.000000 B\n0.857161 0.414828 0.500001 O\n0.188359 0.061773 0.000000 O\n0.938227 0.126587 0.000000 O\n0.873412 0.811641 0.000000 O\n0.246842 0.475377 0.500001 O\n0.228535 0.753158 0.500001 O\n0.524623 0.771465 0.500001 O\n0.585171 0.442333 0.500001 O\n0.557667 0.142838 0.500001 O\n",
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"density_atomic": 0.09073444140708774,
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},
{
"id": "jvasp-24307",
"created_at": "2022-09-04T14:38:06.237428Z",
"updated_at": "2022-09-04T14:38:06.237455Z",
"structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n",
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},
{
"id": "jvasp-10077",
"created_at": "2022-09-04T14:38:06.665944Z",
"updated_at": "2022-09-04T14:38:06.665963Z",
"structure_string": "Zr2 Tl2 Cu2 S6\n1.0\n3.735856 0.000000 0.000000\n-1.867928 7.048835 0.000000\n0.000000 -0.000000 9.814151\nZr Tl Cu S\n2 2 2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.255911 0.511824 0.250000 Tl\n0.744089 0.488176 0.750000 Tl\n0.460412 0.920825 0.750000 Cu\n0.539588 0.079175 0.250000 Cu\n0.376127 0.752253 0.549088 S\n0.623874 0.247746 0.450912 S\n0.623874 0.247746 0.049088 S\n0.061687 0.123374 0.750000 S\n0.938314 0.876625 0.250000 S\n0.376127 0.752253 0.950912 S\n",
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{
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"created_at": "2022-09-04T14:38:10.299391Z",
"updated_at": "2022-09-04T14:38:10.299421Z",
"structure_string": "Na9 Li9 C9 O27\n1.0\n7.203083 -12.476105 0.000000\n7.203083 12.476104 -0.000000\n-0.000000 -0.000000 3.274060\nNa Li C O\n9 9 9 27\ndirect\n0.094324 0.870216 0.500000 Na\n0.426815 0.547445 0.500000 Na\n0.805775 0.549042 0.500000 Na\n0.775891 0.905676 0.500000 Na\n0.129783 0.224108 0.500000 Na\n0.452554 0.879369 0.500000 Na\n0.450957 0.256732 0.500000 Na\n0.743267 0.194224 0.500000 Na\n0.120631 0.573185 0.500000 Na\n0.579535 0.475287 0.000000 Li\n0.179606 0.430922 0.000000 Li\n0.875678 0.772589 0.000000 Li\n0.569077 0.748683 0.000000 Li\n0.524713 0.104248 0.000000 Li\n0.895751 0.420464 0.000000 Li\n0.896911 0.124321 0.000000 Li\n0.251316 0.820394 0.000000 Li\n0.227411 0.103088 0.000000 Li\n0.654759 0.991311 0.000000 C\n0.666667 0.333333 0.000000 C\n0.336551 0.345240 0.000000 C\n0.681828 0.668232 0.500000 C\n0.333333 0.666667 0.000000 C\n0.986403 0.318172 0.500000 C\n0.008689 0.663448 0.000000 C\n0.331768 0.013596 0.500000 C\n0.000000 0.000000 0.000000 C\n0.088453 0.091732 0.000000 O\n0.087954 0.389020 0.500000 O\n0.433376 0.084385 0.500000 O\n0.419562 0.659860 0.000000 O\n0.651008 0.566624 0.500000 O\n0.249580 0.351233 0.000000 O\n0.747502 0.077909 0.000000 O\n0.908267 0.996719 0.000000 O\n0.956619 0.216789 0.500000 O\n0.761845 0.417093 0.000000 O\n0.003280 0.911547 0.000000 O\n0.330407 0.252498 0.000000 O\n0.655248 0.238154 0.000000 O\n0.648767 0.898347 0.000000 O\n0.610980 0.698933 0.500000 O\n0.301066 0.912046 0.500000 O\n0.915615 0.348991 0.500000 O\n0.783211 0.739831 0.500000 O\n0.260169 0.043380 0.500000 O\n0.922091 0.669593 0.000000 O\n0.002864 0.570471 0.000000 O\n0.340139 0.759702 0.000000 O\n0.582906 0.344752 0.000000 O\n0.101652 0.750419 0.000000 O\n0.567608 0.997136 0.000000 O\n0.240298 0.580437 0.000000 O\n0.429528 0.432392 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:53.538064Z",
"updated_at": "2022-09-04T14:36:53.538085Z",
"structure_string": "Zr1 Sc1 Mn1 Ni3\n1.0\n4.283119 -0.000000 -2.479719\n-1.423741 4.039563 2.479719\n-0.023775 0.016829 4.897824\nZr Sc Mn Ni\n1 1 1 3\ndirect\n0.997323 0.002676 0.991971 Zr\n0.251248 0.748751 0.753745 Sc\n0.625198 0.374801 0.875595 Mn\n0.625020 0.374979 0.376228 Ni\n0.625020 0.873812 0.376228 Ni\n0.126187 0.374979 0.376228 Ni\n",
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{
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"created_at": "2022-09-04T14:36:51.612018Z",
"updated_at": "2022-09-04T14:36:51.612037Z",
"structure_string": "Ba2 Na2 B2 O6\n1.0\n5.528362 0.002760 0.755211\n2.684356 4.832911 0.755211\n0.013624 0.008022 6.169039\nBa Na B O\n2 2 2 6\ndirect\n0.833867 0.833866 0.242816 Ba\n0.166133 0.166133 0.757184 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.832006 0.832006 0.751375 B\n0.167994 0.167994 0.248625 B\n0.888635 0.316331 0.210560 O\n0.683668 0.111364 0.789440 O\n0.111365 0.683668 0.789440 O\n0.316332 0.888635 0.210560 O\n0.701687 0.701687 0.680635 O\n0.298313 0.298313 0.319365 O\n",
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{
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"created_at": "2022-09-04T14:36:51.791770Z",
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"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503249 -0.000000 0.000000\n-1.751624 3.033902 -0.000020\n0.000001 -0.000232 37.816482\nTe Mo W Se\n6 2 2 2\ndirect\n0.333336 0.666671 0.331604 Te\n0.666630 0.333258 0.043954 Te\n0.666663 0.333324 0.424985 Te\n0.666643 0.333285 0.140986 Te\n0.666662 0.333322 0.522050 Te\n0.333325 0.666649 0.234078 Te\n0.333303 0.666604 0.092428 Mo\n0.333329 0.666656 0.473523 Mo\n0.666664 0.333327 0.282837 W\n0.666707 0.333413 0.654129 W\n0.333375 0.666750 0.696986 Se\n0.333370 0.666740 0.611190 Se\n",
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{
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"created_at": "2022-09-04T14:36:54.053378Z",
"updated_at": "2022-09-04T14:36:54.053405Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.291124 -0.000002 0.000076\n-1.645565 2.850194 -0.000100\n0.000792 -0.000760 34.388898\nMo W Se S\n2 2 6 2\ndirect\n0.333320 0.666677 0.091672 Mo\n0.666666 0.333322 0.284184 Mo\n0.333344 0.666681 0.470300 W\n0.666672 0.333329 0.656761 W\n0.333324 0.666691 0.333200 Se\n0.333321 0.666681 0.706025 Se\n0.666662 0.333308 0.042693 Se\n0.666646 0.333383 0.140716 Se\n0.333342 0.666620 0.235150 Se\n0.333353 0.666634 0.607449 Se\n0.666697 0.333333 0.425436 S\n0.666650 0.333337 0.515162 S\n",
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{
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"created_at": "2022-09-04T14:36:49.163159Z",
"updated_at": "2022-09-04T14:36:49.163194Z",
"structure_string": "Li2 Cu2 C2 O6\n1.0\n3.550881 0.020596 -0.381706\n-0.623539 -4.456754 0.310720\n0.861091 0.669024 -8.556231\nLi Cu C O\n2 2 2 6\ndirect\n0.839821 0.189104 0.634423 Li\n0.160139 0.810833 0.365465 Li\n-0.000020 0.499967 0.999938 Cu\n0.499972 -0.000022 0.999938 Cu\n0.214962 0.769630 0.716177 C\n0.784999 0.230306 0.283700 C\n0.058281 0.524655 0.779788 O\n0.149362 0.812505 0.583583 O\n0.439023 0.977855 0.790185 O\n0.941683 0.475278 0.220085 O\n0.850585 0.187433 0.416299 O\n0.560939 0.022071 0.209694 O\n",
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{
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"created_at": "2022-09-04T14:36:52.654471Z",
"updated_at": "2022-09-04T14:36:52.654485Z",
"structure_string": "Li2 V2 B2 O6\n1.0\n4.496961 -0.000720 0.015497\n-2.116734 4.731081 -0.029819\n-1.917283 -1.618170 5.494222\nLi V B O\n2 2 2 6\ndirect\n0.443271 0.377906 0.663864 Li\n0.556730 0.622094 0.336136 Li\n0.201803 0.760270 0.750130 V\n0.798198 0.239729 0.249870 V\n0.792991 0.101830 0.746285 B\n0.207010 0.898169 0.253715 B\n0.975569 0.291617 0.637828 O\n0.626990 0.195358 0.873228 O\n0.718713 0.806294 0.708481 O\n0.281289 0.193705 0.291519 O\n0.373011 0.804641 0.126772 O\n0.024433 0.708383 0.362171 O\n",
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}