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{
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{
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},
{
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"formula_full": "Mn2 V1 Si1",
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"spacegroup": 225
},
{
"id": "mp-706336",
"created_at": "2022-09-04T14:40:54.213667Z",
"structure_string": "Na8 Be4 Si12 Sn2 H8 O40\n1.0\n3.745698 10.456672 0.000000\n-3.745698 10.456672 0.000000\n0.000000 5.584596 10.783742\nNa Be Si Sn H O\n8 4 12 2 8 40\ndirect\n0.204248 0.309728 0.266946 Na\n0.690272 0.795752 0.233054 Na\n0.795752 0.690272 0.733054 Na\n0.309728 0.204248 0.766946 Na\n0.209195 0.684616 0.197392 Na\n0.315384 0.790805 0.302608 Na\n0.790805 0.315384 0.802608 Na\n0.684616 0.209195 0.697392 Na\n0.603076 0.396924 0.250000 Be\n0.396924 0.603076 0.750000 Be\n0.916466 0.083534 0.250000 Be\n0.083534 0.916466 0.750000 Be\n0.656837 0.549006 0.002310 Si\n0.450994 0.343163 0.497690 Si\n0.343163 0.450994 0.997690 Si\n0.549006 0.656837 0.502310 Si\n0.859757 0.373713 0.304452 Si\n0.626287 0.140243 0.195548 Si\n0.140243 0.626287 0.695548 Si\n0.373713 0.859757 0.804452 Si\n0.934274 0.856830 0.993970 Si\n0.143170 0.065726 0.506030 Si\n0.065726 0.143170 0.006030 Si\n0.856830 0.934274 0.493970 Si\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.964668 0.657801 0.399216 H\n0.342199 0.035332 0.100784 H\n0.035332 0.342199 0.600784 H\n0.657801 0.964668 0.899216 H\n0.174536 0.455991 0.413222 H\n0.544009 0.825464 0.086778 H\n0.825464 0.544009 0.586778 H\n0.455991 0.174536 0.913222 H\n0.435047 0.478670 0.366824 O\n0.521330 0.564953 0.133176 O\n0.564953 0.521330 0.633176 O\n0.478670 0.435047 0.866824 O\n0.860067 0.773580 0.994781 O\n0.226420 0.139933 0.505219 O\n0.139933 0.226420 0.005219 O\n0.773580 0.860067 0.494781 O\n0.926701 0.472256 0.192979 O\n0.527744 0.073299 0.307021 O\n0.073299 0.527744 0.807021 O\n0.472256 0.926701 0.692979 O\n0.999814 0.918751 0.368332 O\n0.081249 0.000186 0.131668 O\n0.000186 0.081249 0.631668 O\n0.918751 0.999814 0.868332 O\n0.155133 0.674235 0.027459 O\n0.325765 0.844867 0.472541 O\n0.844867 0.325765 0.972541 O\n0.674235 0.155133 0.527459 O\n0.734339 0.637153 0.984282 O\n0.362847 0.265661 0.515718 O\n0.265661 0.362847 0.015718 O\n0.637153 0.734339 0.484282 O\n0.084788 0.552158 0.352547 O\n0.447842 0.915212 0.147453 O\n0.915212 0.447842 0.647453 O\n0.552158 0.084788 0.852547 O\n0.813650 0.294854 0.261377 O\n0.705146 0.186350 0.238623 O\n0.186350 0.705146 0.738623 O\n0.294854 0.813650 0.761377 O\n0.662142 0.543907 0.385615 O\n0.456093 0.337858 0.114385 O\n0.337858 0.456093 0.614385 O\n0.543907 0.662142 0.885615 O\n0.036706 0.197028 0.383491 O\n0.802972 0.963294 0.116509 O\n0.963294 0.802972 0.616509 O\n0.197028 0.036706 0.883491 O\n",
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"formula_full": "Na8 Be4 Si12 Sn2 H8 O40",
"formula_reduced": "Na4Be2Si6Sn(HO5)4",
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{
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"structure_string": "Sc10 V5 O25\n1.0\n-3.933115 3.933115 7.379260\n3.933115 -3.933115 7.379260\n3.933115 3.933115 -7.379260\nSc V O\n10 5 25\ndirect\n0.061785 0.561785 0.500000 Sc\n0.438215 0.938215 0.500000 Sc\n0.945935 0.695307 0.158182 Sc\n0.537125 0.787753 0.841818 Sc\n0.212247 0.054065 0.749372 Sc\n0.304693 0.462875 0.250628 Sc\n0.898967 0.207027 0.954194 Sc\n0.252833 0.944773 0.045806 Sc\n0.055227 0.101033 0.308060 Sc\n0.792973 0.747167 0.691940 Sc\n0.623864 0.316566 0.107994 V\n0.208572 0.515870 0.892006 V\n0.484130 0.376136 0.692702 V\n0.683434 0.791428 0.307298 V\n0.750000 0.250000 0.500000 V\n0.749084 0.591074 0.346555 O\n0.244520 0.402530 0.653445 O\n0.597470 0.250916 0.841990 O\n0.408926 0.755480 0.158010 O\n0.048729 0.496532 0.228687 O\n0.267844 0.820042 0.771313 O\n0.179958 0.951271 0.447802 O\n0.503468 0.732155 0.552198 O\n0.891201 0.281861 0.227663 O\n0.054198 0.663537 0.772337 O\n0.336463 0.108799 0.390661 O\n0.718139 0.945802 0.609339 O\n0.361573 0.361573 0.000000 O\n0.638427 0.638427 0.000000 O\n0.826480 0.826480 0.000000 O\n0.173520 0.173520 0.000000 O\n0.000000 0.000000 0.000000 O\n0.515211 0.063945 0.925231 O\n0.138714 0.589980 0.074769 O\n0.410020 0.484789 0.548734 O\n0.936055 0.861286 0.451266 O\n0.656445 0.395680 0.411817 O\n0.983863 0.244628 0.588183 O\n0.755372 0.343555 0.739234 O\n0.604320 0.016137 0.260766 O\n",
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"formula_full": "Sc10 V5 O25",
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{
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"created_at": "2022-09-04T14:48:07.375058Z",
"structure_string": "Na2 Gd2 Ti4 O12\n1.0\n5.381403 0.000000 0.000000\n0.000000 5.534026 0.000000\n0.000000 0.000000 7.666145\nNa Gd Ti O\n2 2 4 12\ndirect\n0.495521 0.721135 0.500000 Na\n0.995521 0.278865 0.000000 Na\n0.015442 0.188933 0.500000 Gd\n0.515442 0.811067 0.000000 Gd\n0.512158 0.262615 0.752544 Ti\n0.012158 0.737385 0.252544 Ti\n0.512158 0.262615 0.247456 Ti\n0.012158 0.737385 0.747456 Ti\n0.924317 0.771173 0.500000 O\n0.591499 0.270819 0.500000 O\n0.091499 0.729181 0.000000 O\n0.424317 0.228827 0.000000 O\n0.198684 0.452780 0.701565 O\n0.275768 0.966101 0.289066 O\n0.775768 0.033899 0.210934 O\n0.698684 0.547220 0.798435 O\n0.775768 0.033899 0.789066 O\n0.698684 0.547220 0.201565 O\n0.198684 0.452780 0.298435 O\n0.275768 0.966101 0.710934 O\n",
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{
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{
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"structure_string": "Ca1 Dy1 Co4 O12\n1.0\n0.000000 3.694949 3.723776\n0.000000 -3.694949 3.723776\n7.466731 0.000000 0.000000\nCa Dy Co O\n1 1 4 12\ndirect\n0.488411 0.488411 0.500000 Ca\n0.017767 0.017767 0.000000 Dy\n0.504137 0.996367 0.746634 Co\n0.504137 0.996367 0.253366 Co\n0.996367 0.504137 0.253366 Co\n0.996367 0.504137 0.746634 Co\n0.726417 0.273364 0.752091 O\n0.273364 0.726417 0.752091 O\n0.273364 0.726417 0.247909 O\n0.726417 0.273364 0.247909 O\n0.789271 0.789271 0.790541 O\n0.221587 0.221587 0.730526 O\n0.221587 0.221587 0.269474 O\n0.789271 0.789271 0.209459 O\n0.454604 0.019835 0.000000 O\n0.528445 0.967151 0.500000 O\n0.019835 0.454604 0.000000 O\n0.967151 0.528445 0.500000 O\n",
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{
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"structure_string": "Rb2 Li4 Cr4 B6 O18\n1.0\n5.295324 0.000000 0.000000\n0.000000 5.672682 0.000000\n0.000000 0.535257 12.920431\nRb Li Cr B O\n2 4 4 6 18\ndirect\n0.752797 0.000000 0.750000 Rb\n0.247203 0.000000 0.250000 Rb\n0.900578 0.511750 0.854165 Li\n0.900578 0.488250 0.645835 Li\n0.099422 0.511750 0.354165 Li\n0.099422 0.488250 0.145835 Li\n0.354454 0.733182 0.529066 Cr\n0.645546 0.733182 0.029066 Cr\n0.354454 0.266818 0.970934 Cr\n0.645546 0.266818 0.470934 Cr\n0.196533 0.784431 0.960199 B\n0.803467 0.784431 0.460199 B\n0.392553 0.500000 0.750000 B\n0.607447 0.500000 0.250000 B\n0.196533 0.215569 0.539801 B\n0.803467 0.215569 0.039801 B\n0.386958 0.929213 0.919657 O\n0.613042 0.929213 0.419657 O\n0.947211 0.806617 0.940014 O\n0.052789 0.806617 0.440014 O\n0.708297 0.608940 0.530866 O\n0.291703 0.608940 0.030866 O\n0.245576 0.592352 0.665955 O\n0.754424 0.592352 0.165955 O\n0.649254 0.500000 0.750000 O\n0.350746 0.500000 0.250000 O\n0.245576 0.407648 0.834045 O\n0.754424 0.407648 0.334045 O\n0.708297 0.391060 0.969134 O\n0.291703 0.391060 0.469134 O\n0.947211 0.193383 0.559986 O\n0.052789 0.193383 0.059986 O\n0.386958 0.070787 0.580343 O\n0.613042 0.070787 0.080343 O\n",
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{
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{
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"structure_string": "Na2 Ti4 Ga10 O24\n1.0\n3.027446 0.000000 0.000000\n0.000000 9.463644 0.000000\n0.000000 0.000000 15.936393\nNa Ti Ga O\n2 4 10 24\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.728658 0.357182 Ti\n0.500000 0.271342 0.642818 Ti\n0.500000 0.771342 0.857182 Ti\n0.500000 0.228658 0.142818 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.491404 0.800437 Ga\n0.000000 0.008596 0.300437 Ga\n0.000000 0.508596 0.199563 Ga\n0.500000 0.194521 0.852889 Ga\n0.500000 0.805479 0.147111 Ga\n0.000000 0.991404 0.699563 Ga\n0.500000 0.694521 0.647111 Ga\n0.500000 0.305479 0.352889 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.393556 0.553570 O\n0.000000 0.138235 0.908232 O\n0.500000 0.107989 0.356241 O\n0.000000 0.359131 0.703581 O\n0.500000 0.392011 0.856241 O\n0.500000 0.607989 0.143759 O\n0.500000 0.106444 0.053570 O\n0.000000 0.861765 0.091768 O\n0.000000 0.638235 0.591768 O\n0.000000 0.859131 0.796419 O\n0.000000 0.140869 0.203581 O\n0.000000 0.143835 0.604749 O\n0.500000 0.613331 0.754956 O\n0.000000 0.856165 0.395251 O\n0.000000 0.640869 0.296419 O\n0.000000 0.643835 0.895251 O\n0.500000 0.893556 0.946430 O\n0.500000 0.113331 0.745044 O\n0.500000 0.606444 0.446430 O\n0.500000 0.886669 0.254956 O\n0.000000 0.361765 0.408232 O\n0.500000 0.386669 0.245044 O\n0.000000 0.356165 0.104749 O\n0.500000 0.892011 0.643759 O\n",
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{
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"structure_string": "Li4 Mn4 P8 H4 O28\n1.0\n12.915499 0.000000 0.000000\n0.000000 5.232379 0.000000\n0.000000 3.865689 8.107605\nLi Mn P H O\n4 4 8 4 28\ndirect\n0.514521 0.687025 0.123045 Li\n0.014521 0.312975 0.376955 Li\n0.985479 0.687025 0.623045 Li\n0.485479 0.312975 0.876955 Li\n0.874103 0.378861 0.013717 Mn\n0.374103 0.621139 0.486283 Mn\n0.625897 0.378861 0.513717 Mn\n0.125897 0.621139 0.986283 Mn\n0.544270 0.092920 0.249315 P\n0.044270 0.907080 0.250685 P\n0.831858 0.696880 0.272232 P\n0.331858 0.303120 0.227768 P\n0.668142 0.696880 0.772232 P\n0.168142 0.303120 0.727768 P\n0.955730 0.092920 0.749315 P\n0.455730 0.907080 0.750685 P\n0.681001 0.012972 0.111979 H\n0.181001 0.987028 0.388021 H\n0.818999 0.012972 0.611979 H\n0.318999 0.987028 0.888021 H\n0.026210 0.186768 0.100520 O\n0.598947 0.033092 0.108134 O\n0.795020 0.967219 0.123747 O\n0.435300 0.201268 0.150631 O\n0.257592 0.400295 0.085398 O\n0.092230 0.664270 0.226412 O\n0.877956 0.466623 0.230726 O\n0.377956 0.533377 0.269274 O\n0.935300 0.798732 0.349369 O\n0.295020 0.032781 0.376253 O\n0.592230 0.335730 0.273588 O\n0.098947 0.966908 0.391866 O\n0.526210 0.813232 0.399480 O\n0.757592 0.599705 0.414602 O\n0.242408 0.400295 0.585398 O\n0.473790 0.186768 0.600520 O\n0.901053 0.033092 0.608134 O\n0.407770 0.664270 0.726412 O\n0.704980 0.967219 0.623747 O\n0.064700 0.201268 0.650631 O\n0.622044 0.466623 0.730726 O\n0.122044 0.533377 0.769274 O\n0.907770 0.335730 0.773588 O\n0.742408 0.599705 0.914602 O\n0.564700 0.798732 0.849369 O\n0.204980 0.032781 0.876253 O\n0.401053 0.966908 0.891866 O\n0.973790 0.813232 0.899480 O\n",
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]
}