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{
"id": "mp-772264",
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"structure_string": "In8 W4 O24\n1.0\n5.003927 0.000000 0.000000\n0.000000 9.094533 0.000000\n0.000000 0.000000 10.284172\nIn W O\n8 4 24\ndirect\n0.985425 0.368458 0.071256 In\n0.006304 0.309138 0.647074 In\n0.493696 0.690862 0.147074 In\n0.514575 0.631542 0.571256 In\n0.485425 0.131542 0.928744 In\n0.506304 0.190862 0.352926 In\n0.993696 0.809138 0.852926 In\n0.014575 0.868458 0.428744 In\n0.014051 0.994482 0.137871 W\n0.485949 0.005518 0.637871 W\n0.514051 0.505518 0.862129 W\n0.985949 0.494482 0.362129 W\n0.185659 0.656277 0.448986 O\n0.198613 0.515197 0.206789 O\n0.232099 0.849781 0.676171 O\n0.222404 0.849407 0.230399 O\n0.224419 0.351237 0.442748 O\n0.282717 0.039195 0.474899 O\n0.217283 0.960805 0.974899 O\n0.275581 0.648763 0.942748 O\n0.277596 0.150593 0.730399 O\n0.267901 0.150219 0.176171 O\n0.301387 0.484803 0.706789 O\n0.314341 0.343723 0.948986 O\n0.685659 0.843723 0.551014 O\n0.698613 0.984803 0.793211 O\n0.732099 0.650219 0.323829 O\n0.722404 0.650593 0.769601 O\n0.724419 0.148763 0.557252 O\n0.782717 0.460805 0.525101 O\n0.717283 0.539195 0.025101 O\n0.775581 0.851237 0.057252 O\n0.777596 0.349407 0.269601 O\n0.767901 0.349781 0.823829 O\n0.801387 0.015197 0.293211 O\n0.814341 0.156277 0.051014 O\n",
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{
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"structure_string": "Rb1 Hg5 Cl11\n1.0\n7.413628 6.223464 0.000000\n-7.413628 6.223464 0.000000\n0.000000 3.324030 5.843694\nRb Hg Cl\n1 5 11\ndirect\n0.000000 0.000000 0.000000 Rb\n0.352250 0.015356 0.314027 Hg\n0.647750 0.984644 0.685973 Hg\n0.984644 0.647750 0.685973 Hg\n0.015356 0.352250 0.314027 Hg\n0.500000 0.500000 0.000000 Hg\n0.649094 0.649094 0.611147 Cl\n0.350906 0.350906 0.388853 Cl\n0.702017 0.139368 0.305960 Cl\n0.297983 0.860632 0.694040 Cl\n0.860632 0.297983 0.694040 Cl\n0.139368 0.702017 0.305960 Cl\n0.000000 0.000000 0.500000 Cl\n0.582455 0.832058 0.070302 Cl\n0.417545 0.167942 0.929698 Cl\n0.167942 0.417545 0.929698 Cl\n0.832058 0.582455 0.070302 Cl\n",
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"volume": 539.2379314253336,
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"formula_full": "Rb1 Hg5 Cl11",
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{
"id": "mp-19179",
"created_at": "2022-09-04T14:44:14.396623Z",
"structure_string": "Ba4 V2 Si4 O16\n1.0\n8.604984 0.000000 0.000000\n0.000000 8.604984 0.000000\n0.000000 0.000000 5.332793\nBa V Si O\n4 2 4 16\ndirect\n0.171665 0.671665 0.995654 Ba\n0.671665 0.828335 0.995654 Ba\n0.328335 0.171665 0.995654 Ba\n0.828335 0.328335 0.995654 Ba\n0.500000 0.500000 0.538654 V\n0.000000 0.000000 0.538654 V\n0.370527 0.870527 0.519561 Si\n0.870527 0.629473 0.519561 Si\n0.129473 0.370527 0.519561 Si\n0.629473 0.129473 0.519561 Si\n0.500000 0.500000 0.225592 O\n0.000000 0.000000 0.225592 O\n0.793574 0.077399 0.652851 O\n0.206426 0.922601 0.652851 O\n0.922601 0.793574 0.652851 O\n0.077399 0.206426 0.652851 O\n0.422601 0.706426 0.652851 O\n0.706426 0.577399 0.652851 O\n0.293574 0.422601 0.652851 O\n0.577399 0.293574 0.652851 O\n0.500000 0.000000 0.631208 O\n0.000000 0.500000 0.631208 O\n0.629185 0.129185 0.217706 O\n0.129185 0.370815 0.217706 O\n0.870815 0.629185 0.217706 O\n0.370815 0.870815 0.217706 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:39:48.779161Z",
"structure_string": "Ti2 P8 H16 N4 O26\n1.0\n5.158909 0.000000 0.000000\n1.230943 7.952235 0.000000\n1.830044 1.382537 14.988519\nTi P H N O\n2 8 16 4 26\ndirect\n0.961015 0.055817 0.760691 Ti\n0.038985 0.944183 0.239309 Ti\n0.537243 0.899089 0.657477 P\n0.177591 0.329304 0.211265 P\n0.822409 0.670696 0.788735 P\n0.615044 0.778266 0.142830 P\n0.811617 0.590810 0.309072 P\n0.384956 0.221734 0.857170 P\n0.188383 0.409190 0.690928 P\n0.462757 0.100911 0.342523 P\n0.264021 0.654023 0.033237 H\n0.585651 0.288770 0.066868 H\n0.745927 0.457372 0.052884 H\n0.735979 0.345977 0.966763 H\n0.030779 0.684062 0.530604 H\n0.185253 0.717471 0.425798 H\n0.254073 0.542628 0.947116 H\n0.921545 0.261170 0.049057 H\n0.351374 0.723194 0.514972 H\n0.814747 0.282529 0.574202 H\n0.969221 0.315938 0.469396 H\n0.096714 0.872012 0.492361 H\n0.414349 0.711230 0.933132 H\n0.648626 0.276806 0.485028 H\n0.903286 0.127988 0.507639 H\n0.078455 0.738830 0.950943 H\n0.251256 0.664159 0.965602 N\n0.168044 0.746549 0.491012 N\n0.748744 0.335841 0.034398 N\n0.831956 0.253451 0.508988 N\n0.985228 0.284089 0.701048 O\n0.759229 0.034225 0.332246 O\n0.639603 0.631815 0.226666 O\n0.361999 0.169453 0.429867 O\n0.243389 0.454286 0.136312 O\n0.432604 0.252914 0.260370 O\n0.024096 0.592918 0.708713 O\n0.057523 0.178217 0.186915 O\n0.708075 0.695850 0.058622 O\n0.014772 0.715911 0.298952 O\n0.942477 0.821783 0.813085 O\n0.567396 0.747086 0.739630 O\n0.781638 0.913289 0.162284 O\n0.756611 0.545714 0.863688 O\n0.698258 0.032048 0.683411 O\n0.360397 0.368185 0.773334 O\n0.321059 0.854834 0.149731 O\n0.291925 0.304150 0.941378 O\n0.678941 0.145166 0.850269 O\n0.301742 0.967952 0.316589 O\n0.638001 0.830547 0.570133 O\n0.652669 0.571587 0.396128 O\n0.975904 0.407082 0.291287 O\n0.240771 0.965775 0.667754 O\n0.347331 0.428413 0.603872 O\n0.218362 0.086711 0.837716 O\n",
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"formula_full": "Ti2 P8 H16 N4 O26",
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"spacegroup": 2
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{
"id": "mp-1227181",
"created_at": "2022-09-04T14:47:28.439239Z",
"structure_string": "Ca2 La2 Ga6 S12 O2\n1.0\n9.382908 0.000000 0.000000\n0.000000 6.087397 0.000000\n0.000000 0.015007 9.378525\nCa La Ga S O\n2 2 6 12 2\ndirect\n0.348245 0.514456 0.596575 Ca\n0.848245 0.485544 0.403425 Ca\n0.650759 0.513459 0.898708 La\n0.150759 0.486541 0.101292 La\n0.500420 0.000044 0.253143 Ga\n0.000420 0.999956 0.746857 Ga\n0.126165 0.069460 0.378446 Ga\n0.626165 0.930540 0.621554 Ga\n0.872601 0.071311 0.124886 Ga\n0.372601 0.928689 0.875114 Ga\n0.134018 0.705385 0.382696 S\n0.634018 0.294615 0.617304 S\n0.865396 0.706512 0.114521 S\n0.365396 0.293488 0.885479 S\n0.167106 0.749533 0.818113 S\n0.667106 0.250467 0.181887 S\n0.832630 0.749212 0.682589 S\n0.332630 0.250788 0.317411 S\n0.067817 0.251279 0.582163 S\n0.567817 0.748721 0.417837 S\n0.932352 0.250087 0.916710 S\n0.432352 0.749913 0.083290 S\n0.502490 0.776792 0.752892 O\n0.002490 0.223208 0.247108 O\n",
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{
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"structure_string": "Li4 P12 W8 O48\n1.0\n8.990055 0.000000 0.000000\n0.000000 8.677243 0.000000\n0.000000 8.480089 12.314482\nLi P W O\n4 12 8 48\ndirect\n0.781279 0.987672 0.323846 Li\n0.281279 0.012328 0.176154 Li\n0.718721 0.987672 0.823846 Li\n0.218721 0.012328 0.676154 Li\n0.251070 0.457855 0.007870 P\n0.382062 0.747711 0.648063 P\n0.110392 0.033454 0.356414 P\n0.610392 0.966546 0.143586 P\n0.882062 0.252289 0.851937 P\n0.751070 0.542145 0.492130 P\n0.248930 0.457855 0.507870 P\n0.117938 0.747711 0.148063 P\n0.389608 0.033454 0.856414 P\n0.889608 0.966546 0.643586 P\n0.617938 0.252289 0.351937 P\n0.748930 0.542145 0.992130 P\n0.531965 0.370347 0.881819 W\n0.962424 0.142139 0.113690 W\n0.031965 0.629653 0.618181 W\n0.462424 0.857861 0.386310 W\n0.537576 0.142139 0.613690 W\n0.968035 0.370347 0.381819 W\n0.037576 0.857861 0.886310 W\n0.468035 0.629653 0.118181 W\n0.868402 0.390044 0.059283 O\n0.885079 0.809286 0.625144 O\n0.584069 0.096275 0.332664 O\n0.684859 0.520158 0.903676 O\n0.368078 0.477109 0.929170 O\n0.213911 0.718270 0.667264 O\n0.425238 0.819913 0.531243 O\n0.988648 0.078583 0.269222 O\n0.178078 0.261035 0.068094 O\n0.261770 0.010830 0.315636 O\n0.063706 0.846847 0.459605 O\n0.476665 0.572977 0.725681 O\n0.976665 0.427023 0.774319 O\n0.563706 0.153153 0.040395 O\n0.761770 0.989170 0.184364 O\n0.678078 0.738965 0.431906 O\n0.925238 0.180087 0.968757 O\n0.488648 0.921417 0.230778 O\n0.713911 0.281730 0.832736 O\n0.868078 0.522891 0.570830 O\n0.184859 0.479842 0.596324 O\n0.385079 0.190714 0.874856 O\n0.084069 0.903725 0.167336 O\n0.368402 0.609956 0.440717 O\n0.631598 0.390044 0.559283 O\n0.915931 0.096275 0.832664 O\n0.614921 0.809286 0.125144 O\n0.815141 0.520158 0.403676 O\n0.131922 0.477109 0.429170 O\n0.286089 0.718270 0.167264 O\n0.511352 0.078583 0.769222 O\n0.074762 0.819913 0.031243 O\n0.321922 0.261035 0.568094 O\n0.238230 0.010830 0.815636 O\n0.436294 0.846847 0.959605 O\n0.023335 0.572977 0.225681 O\n0.523335 0.427023 0.274319 O\n0.936294 0.153153 0.540395 O\n0.738230 0.989170 0.684364 O\n0.821922 0.738965 0.931906 O\n0.011352 0.921417 0.730778 O\n0.574762 0.180087 0.468757 O\n0.786089 0.281730 0.332736 O\n0.631922 0.522891 0.070830 O\n0.315141 0.479842 0.096324 O\n0.415931 0.903725 0.667336 O\n0.114921 0.190714 0.374856 O\n0.131598 0.609956 0.940717 O\n",
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{
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"structure_string": "Na4 P2 S6\n1.0\n5.664254 3.396567 0.000000\n-5.664254 3.396567 0.000000\n0.000000 2.214425 7.274615\nNa P S\n4 2 6\ndirect\n0.337387 0.662613 0.000000 Na\n0.662613 0.337387 0.000000 Na\n0.184101 0.815899 0.500000 Na\n0.815899 0.184101 0.500000 Na\n0.053977 0.053977 0.842086 P\n0.946023 0.946023 0.157914 P\n0.794946 0.794946 0.757151 S\n0.205054 0.205054 0.242849 S\n0.373257 0.072512 0.769076 S\n0.072512 0.373257 0.769076 S\n0.626743 0.927488 0.230924 S\n0.927488 0.626743 0.230924 S\n",
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{
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"updated_at": "2021-11-28T01:36:56.585000Z",
"spacegroup": 11
}
]
}