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{
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{
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{
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},
{
"id": "mp-1222710",
"created_at": "2022-09-04T14:42:25.134175Z",
"structure_string": "Li1 V5 O10\n1.0\n6.915447 2.634762 0.000000\n-6.915447 2.634762 0.000000\n0.000000 2.596296 4.860704\nLi V O\n1 5 10\ndirect\n0.985576 0.014424 0.000000 Li\n0.595873 0.404127 0.000000 V\n0.207898 0.792102 0.000000 V\n0.291285 0.708715 0.500000 V\n0.894836 0.105164 0.500000 V\n0.511543 0.488457 0.500000 V\n0.821124 0.624443 0.208115 O\n0.416407 0.018612 0.193316 O\n0.074643 0.474118 0.285095 O\n0.671666 0.860716 0.307152 O\n0.284879 0.277840 0.280437 O\n0.525882 0.925357 0.714905 O\n0.139284 0.328334 0.692848 O\n0.722160 0.715121 0.719563 O\n0.375557 0.178876 0.791885 O\n0.981388 0.583593 0.806684 O\n",
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"elements": [
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"formula_full": "Li1 V5 O10",
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{
"id": "mp-1032029",
"created_at": "2022-09-04T14:46:16.608827Z",
"structure_string": "Sr1 Mg6 Zn1 O8\n1.0\n8.670666 0.000000 0.000000\n-0.000000 4.519815 0.000000\n0.000000 0.000000 4.519815\nSr Mg Zn O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.237957 -0.000000 0.500000 Mg\n0.762043 0.000000 0.500000 Mg\n0.237957 0.500000 -0.000000 Mg\n0.762043 0.500000 0.000000 Mg\n-0.000000 0.000000 -0.000000 Zn\n0.227763 0.000000 -0.000000 O\n0.772237 -0.000000 0.000000 O\n0.248324 0.500000 0.500000 O\n0.751676 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.09032879301887566,
"volume": 177.13067412133518,
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"formula_full": "Sr1 Mg6 Zn1 O8",
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"formula_anonymous": "ABC6D8",
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{
"id": "mp-1210761",
"created_at": "2022-09-04T14:47:17.067234Z",
"structure_string": "Li2 Ni1 N1\n1.0\n0.000000 0.000000 -3.486911\n-1.914702 -3.316361 0.000000\n-1.914702 3.316361 0.000000\nLi Ni N\n2 1 1\ndirect\n0.000000 0.666667 0.333333 Li\n0.000000 0.333333 0.666667 Li\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Li2 Ni1 N1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:02.023000Z",
"spacegroup": 191
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{
"id": "mp-775194",
"created_at": "2022-09-04T14:48:20.888406Z",
"structure_string": "Li4 Fe6 W2 O16\n1.0\n3.023252 -5.241403 0.000000\n3.023252 5.241403 0.000000\n0.000000 0.000000 9.781050\nLi Fe W O\n4 6 2 16\ndirect\n0.668208 0.331792 0.090879 Li\n0.997374 0.002626 0.012940 Li\n0.002626 0.997374 0.512940 Li\n0.331792 0.668208 0.590879 Li\n0.344313 0.172937 0.784405 Fe\n0.827063 0.655687 0.784405 Fe\n0.831779 0.168221 0.788241 Fe\n0.168221 0.831779 0.288241 Fe\n0.172937 0.344313 0.284405 Fe\n0.655687 0.827063 0.284405 Fe\n0.665249 0.334751 0.512814 W\n0.334751 0.665249 0.012814 W\n0.345788 0.191486 0.413556 O\n0.518186 0.481814 0.655046 O\n0.663694 0.336306 0.889515 O\n0.004702 0.995298 0.701703 O\n0.995298 0.004702 0.201703 O\n0.808514 0.654212 0.413556 O\n0.505280 0.043994 0.643752 O\n0.956006 0.494720 0.643752 O\n0.175947 0.824053 0.910653 O\n0.824053 0.175947 0.410653 O\n0.043994 0.505280 0.143752 O\n0.494720 0.956006 0.143752 O\n0.336306 0.663694 0.389515 O\n0.191486 0.345788 0.913556 O\n0.481814 0.518186 0.155046 O\n0.654212 0.808514 0.913556 O\n",
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"formula_full": "Li4 Fe6 W2 O16",
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{
"id": "mp-29365",
"created_at": "2022-09-04T14:41:59.017410Z",
"structure_string": "Li5 Bi1 O5\n1.0\n2.136932 5.000207 0.000000\n-2.136932 5.000207 0.000000\n0.000000 2.043958 5.698543\nLi Bi O\n5 1 5\ndirect\n0.701754 0.701754 0.647907 Li\n0.989280 0.989280 0.482534 Li\n0.307141 0.307141 0.845781 Li\n0.682770 0.682770 0.123359 Li\n0.281147 0.281147 0.328642 Li\n0.994658 0.994658 0.983714 Bi\n0.845595 0.845595 0.805199 O\n0.496806 0.496806 0.976132 O\n0.161696 0.161696 0.659612 O\n0.829019 0.829019 0.311299 O\n0.142134 0.142134 0.165821 O\n",
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],
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"volume": 121.77903034390049,
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"formula_full": "Li5 Bi1 O5",
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"spacegroup": 8
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{
"id": "mp-768862",
"created_at": "2022-09-04T14:40:10.484998Z",
"structure_string": "Li10 Fe4 P4 C4 O28\n1.0\n8.187859 0.000000 0.000000\n-2.025237 8.028279 0.000000\n-0.596451 -0.576539 8.420888\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.739827 0.496176 0.099342 Li\n0.249463 0.975929 0.095371 Li\n0.889512 0.851933 0.271866 Li\n0.591825 0.111250 0.274142 Li\n0.383273 0.363106 0.277777 Li\n0.408175 0.888750 0.725858 Li\n0.616727 0.636894 0.722223 Li\n0.110488 0.148067 0.728134 Li\n0.260173 0.503824 0.900658 Li\n0.750537 0.024071 0.904629 Li\n0.470051 0.724964 0.320519 Fe\n0.977335 0.232250 0.342607 Fe\n0.022665 0.767750 0.657393 Fe\n0.529949 0.275036 0.679481 Fe\n0.755887 0.517237 0.414251 P\n0.262054 0.015997 0.417802 P\n0.737946 0.984003 0.582198 P\n0.244113 0.482763 0.585749 P\n0.526693 0.780350 0.027352 C\n0.038650 0.263439 0.052588 C\n0.961350 0.736561 0.947412 C\n0.473307 0.219650 0.972648 C\n0.405412 0.657174 0.059161 O\n0.901191 0.154881 0.082928 O\n0.915395 0.710260 0.085802 O\n0.615258 0.877353 0.145622 O\n0.438238 0.189417 0.117049 O\n0.129176 0.346613 0.178536 O\n0.624045 0.556054 0.290083 O\n0.816663 0.377179 0.322185 O\n0.321456 0.891901 0.307643 O\n0.101051 0.045299 0.325080 O\n0.904380 0.679362 0.447456 O\n0.783729 0.053252 0.418265 O\n0.313988 0.532818 0.428851 O\n0.404081 0.179508 0.445452 O\n0.595919 0.820492 0.554548 O\n0.686012 0.467182 0.571149 O\n0.216271 0.946748 0.581735 O\n0.095620 0.320638 0.552544 O\n0.898949 0.954701 0.674920 O\n0.183337 0.622821 0.677815 O\n0.678544 0.108099 0.692357 O\n0.375955 0.443946 0.709917 O\n0.870824 0.653387 0.821464 O\n0.561762 0.810583 0.882951 O\n0.384742 0.122647 0.854378 O\n0.084605 0.289740 0.914198 O\n0.594588 0.342826 0.940839 O\n0.098809 0.845119 0.917072 O\n",
"nsites": 50,
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],
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"formula_full": "Li10 Fe4 P4 C4 O28",
"formula_reduced": "Li5Fe2P2(CO7)2",
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"spacegroup": 2
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{
"id": "mp-1221222",
"created_at": "2022-09-04T14:39:17.708655Z",
"structure_string": "Na3 Ti8 O16\n1.0\n2.977759 0.000000 0.000000\n0.000000 9.292278 0.000000\n0.000000 0.020117 10.802731\nNa Ti O\n3 8 16\ndirect\n0.500000 0.757302 0.346417 Na\n0.000000 0.742544 0.846923 Na\n0.000000 0.242765 0.653174 Na\n0.500000 0.433502 0.384405 Ti\n0.500000 0.942894 0.111429 Ti\n0.000000 0.562088 0.610156 Ti\n0.000000 0.064666 0.891592 Ti\n0.500000 0.416133 0.902217 Ti\n0.500000 0.919170 0.602414 Ti\n0.000000 0.581660 0.104221 Ti\n0.000000 0.084832 0.393086 Ti\n0.500000 0.207428 0.849794 O\n0.500000 0.707629 0.648269 O\n0.000000 0.793158 0.147298 O\n0.000000 0.293272 0.360268 O\n0.500000 0.112075 0.520358 O\n0.500000 0.613716 0.980478 O\n0.000000 0.886795 0.480363 O\n0.000000 0.388412 0.013705 O\n0.500000 0.421843 0.570368 O\n0.500000 0.921040 0.927523 O\n0.000000 0.577360 0.428576 O\n0.000000 0.074337 0.070267 O\n0.500000 0.016615 0.284090 O\n0.500000 0.526593 0.219091 O\n0.000000 0.977492 0.717403 O\n0.000000 0.477930 0.782395 O\n",
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"volume": 298.91334322512085,
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"formula_full": "Na3 Ti8 O16",
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{
"id": "mp-780877",
"created_at": "2022-09-04T14:40:19.966883Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n5.856288 0.000000 0.000000\n-1.688144 8.085293 0.000000\n-1.954791 -4.034908 7.949748\nLi Mn B O\n4 6 6 18\ndirect\n0.109075 0.780723 0.104260 Li\n0.890925 0.219277 0.895740 Li\n0.238710 0.555560 0.561359 Li\n0.761290 0.444440 0.438641 Li\n0.068386 0.819513 0.475085 Mn\n0.931614 0.180487 0.524915 Mn\n0.304830 0.550611 0.221912 Mn\n0.398419 0.148512 0.115544 Mn\n0.695170 0.449389 0.778088 Mn\n0.601581 0.851488 0.884456 Mn\n0.952274 0.213837 0.211719 B\n0.047726 0.786163 0.788281 B\n0.256091 0.520707 0.870920 B\n0.378503 0.128824 0.432491 B\n0.621497 0.871176 0.567509 B\n0.743909 0.479293 0.129080 B\n0.980637 0.681323 0.616229 O\n0.963569 0.627491 0.217086 O\n0.896160 0.745698 0.878588 O\n0.019363 0.318677 0.383771 O\n0.103840 0.254302 0.121412 O\n0.036431 0.372509 0.782914 O\n0.390497 0.729234 0.480644 O\n0.240788 0.092102 0.530415 O\n0.329110 0.629647 0.039556 O\n0.294818 0.032029 0.263594 O\n0.398986 0.565854 0.776535 O\n0.277791 0.921297 0.879033 O\n0.609503 0.270766 0.519356 O\n0.601014 0.434146 0.223465 O\n0.670890 0.370353 0.960444 O\n0.759212 0.907898 0.469585 O\n0.722209 0.078703 0.120967 O\n0.705182 0.967971 0.736406 O\n",
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"volume": 376.41901260975095,
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{
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"structure_string": "V8 Cu16 H8 O40\n1.0\n6.117549 0.000000 0.000000\n0.000000 8.591785 0.000000\n0.000000 0.000000 15.165821\nV Cu H O\n8 16 8 40\ndirect\n0.250000 0.813432 0.079369 V\n0.750000 0.471973 0.154046 V\n0.250000 0.971973 0.345954 V\n0.750000 0.313432 0.420631 V\n0.250000 0.686568 0.579369 V\n0.750000 0.028027 0.654046 V\n0.250000 0.528027 0.845954 V\n0.750000 0.186568 0.920631 V\n0.250000 0.414622 0.073212 Cu\n0.505264 0.130150 0.137797 Cu\n0.994736 0.130150 0.137797 Cu\n0.750000 0.849625 0.215394 Cu\n0.250000 0.349625 0.284606 Cu\n0.005264 0.630150 0.362203 Cu\n0.494736 0.630150 0.362203 Cu\n0.750000 0.914622 0.426788 Cu\n0.250000 0.085378 0.573212 Cu\n0.505264 0.369850 0.637797 Cu\n0.994736 0.369850 0.637797 Cu\n0.750000 0.650375 0.715394 Cu\n0.250000 0.150375 0.784606 Cu\n0.005264 0.869850 0.862203 Cu\n0.494736 0.869850 0.862203 Cu\n0.750000 0.585378 0.926788 Cu\n0.250000 0.144856 0.002096 H\n0.250000 0.613379 0.221172 H\n0.750000 0.113379 0.278828 H\n0.750000 0.644856 0.497904 H\n0.250000 0.355144 0.502096 H\n0.250000 0.886621 0.721172 H\n0.750000 0.386621 0.778828 H\n0.750000 0.855144 0.997904 H\n0.750000 0.172723 0.032521 O\n0.750000 0.545124 0.050783 O\n0.250000 0.184551 0.063101 O\n0.250000 0.620631 0.115357 O\n0.010130 0.903508 0.121193 O\n0.489870 0.903508 0.121193 O\n0.506919 0.355188 0.171772 O\n0.993081 0.355188 0.171772 O\n0.750000 0.077309 0.215061 O\n0.750000 0.628864 0.227911 O\n0.250000 0.128864 0.272089 O\n0.250000 0.577309 0.284939 O\n0.006919 0.855188 0.328228 O\n0.493081 0.855188 0.328228 O\n0.510130 0.403508 0.378807 O\n0.989870 0.403508 0.378807 O\n0.750000 0.120631 0.384643 O\n0.750000 0.684551 0.436899 O\n0.250000 0.045124 0.449217 O\n0.250000 0.672723 0.467479 O\n0.750000 0.327277 0.532521 O\n0.750000 0.954876 0.550783 O\n0.250000 0.315449 0.563101 O\n0.250000 0.879369 0.615357 O\n0.010130 0.596492 0.621193 O\n0.489870 0.596492 0.621193 O\n0.506919 0.144812 0.671772 O\n0.993081 0.144812 0.671772 O\n0.750000 0.422691 0.715061 O\n0.750000 0.871136 0.727911 O\n0.250000 0.371136 0.772089 O\n0.250000 0.922691 0.784939 O\n0.006919 0.644812 0.828228 O\n0.493081 0.644812 0.828228 O\n0.510130 0.096492 0.878807 O\n0.989870 0.096492 0.878807 O\n0.750000 0.379369 0.884643 O\n0.750000 0.815449 0.936899 O\n0.250000 0.454876 0.949217 O\n0.250000 0.827277 0.967479 O\n",
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},
{
"id": "mp-773725",
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"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.637303 0.000000 0.000000\n0.055670 8.642310 0.000000\n0.010902 0.319673 10.036434\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.749216 0.913671 0.123493 Na\n0.500263 0.248519 0.624017 Na\n0.763331 0.918349 0.627659 Li\n0.972119 0.733262 0.389130 Li\n0.528638 0.733776 0.390124 Li\n0.976280 0.731530 0.883389 Li\n0.522964 0.733637 0.882614 Li\n0.472432 0.268401 0.114700 Li\n0.029351 0.269737 0.113774 Li\n0.020836 0.266934 0.614447 Li\n0.243226 0.083807 0.370356 Li\n0.237338 0.086598 0.872635 Li\n0.248920 0.647786 0.113281 Mn\n0.250338 0.646193 0.610944 Mn\n0.755274 0.351257 0.383301 Mn\n0.751845 0.354311 0.888670 Mn\n0.749096 0.584747 0.144227 P\n0.754903 0.594538 0.643551 P\n0.250918 0.408044 0.351583 P\n0.245809 0.411700 0.854542 P\n0.249502 0.962163 0.135795 C\n0.240758 0.957111 0.638940 C\n0.750834 0.038449 0.371365 C\n0.752721 0.047098 0.860756 C\n0.749114 0.889834 0.353863 O\n0.750800 0.897445 0.845874 O\n0.247044 0.920012 0.012879 O\n0.248176 0.920205 0.515022 O\n0.248552 0.857904 0.232629 O\n0.254551 0.849935 0.733545 O\n0.933523 0.675254 0.088037 O\n0.563868 0.676573 0.088825 O\n0.933697 0.697554 0.594712 O\n0.565792 0.682869 0.590145 O\n0.750653 0.584670 0.300258 O\n0.246352 0.577825 0.400244 O\n0.750690 0.585308 0.799884 O\n0.249837 0.581083 0.902522 O\n0.747750 0.412499 0.103118 O\n0.244487 0.417204 0.195401 O\n0.769461 0.426811 0.593813 O\n0.230868 0.420171 0.699362 O\n0.440082 0.315681 0.397361 O\n0.071478 0.309358 0.405607 O\n0.434579 0.315697 0.899306 O\n0.067259 0.315832 0.913298 O\n0.755672 0.134013 0.268902 O\n0.758333 0.138672 0.755606 O\n0.748485 0.091273 0.490905 O\n0.749490 0.106918 0.976992 O\n0.252627 0.107721 0.165369 O\n0.219869 0.100061 0.673224 O\n",
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}