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{
"id": "mp-769529",
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"structure_string": "Na10 Mn4 P4 C4 O28\n1.0\n5.227996 0.000000 0.000000\n0.130346 11.223657 0.000000\n0.101285 3.181582 10.783986\nNa Mn P C O\n10 4 4 4 28\ndirect\n0.241491 0.114198 0.125254 Na\n0.750273 0.370630 0.371678 Na\n0.753877 0.627897 0.123819 Na\n0.756015 0.117810 0.629971 Na\n0.242727 0.585786 0.333701 Na\n0.757273 0.414214 0.666299 Na\n0.243985 0.882190 0.370029 Na\n0.249727 0.629370 0.628322 Na\n0.246123 0.372103 0.876181 Na\n0.758509 0.885802 0.874746 Na\n0.777194 0.299581 0.054963 Mn\n0.219194 0.191366 0.447180 Mn\n0.780806 0.808634 0.552820 Mn\n0.222806 0.700419 0.945037 Mn\n0.705217 0.084076 0.331574 P\n0.298873 0.416225 0.163882 P\n0.701127 0.583775 0.836118 P\n0.294783 0.915924 0.668426 P\n0.276097 0.837431 0.088405 C\n0.266168 0.346244 0.593946 C\n0.733832 0.653756 0.406054 C\n0.723903 0.162569 0.911595 C\n0.794640 0.136156 0.194025 O\n0.406451 0.092318 0.336565 O\n0.165128 0.340813 0.087731 O\n0.819291 0.162897 0.411903 O\n0.598616 0.401564 0.148862 O\n0.207027 0.052590 0.620484 O\n0.230157 0.557507 0.118049 O\n0.229994 0.373863 0.303462 O\n0.471554 0.303801 0.553167 O\n0.480782 0.797235 0.045339 O\n0.059874 0.798701 0.049711 O\n0.043125 0.317431 0.560278 O\n0.729385 0.096284 0.838449 O\n0.716824 0.581620 0.334235 O\n0.283176 0.418380 0.665765 O\n0.270615 0.903716 0.161551 O\n0.956875 0.682569 0.439722 O\n0.940126 0.201299 0.950289 O\n0.528446 0.696199 0.446833 O\n0.519218 0.202765 0.954661 O\n0.769843 0.442493 0.881951 O\n0.792973 0.947410 0.379516 O\n0.770006 0.626137 0.696538 O\n0.401384 0.598436 0.851138 O\n0.180709 0.837103 0.588097 O\n0.834872 0.659187 0.912269 O\n0.593549 0.907682 0.663435 O\n0.205360 0.863844 0.805975 O\n",
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"volume_molar": 7.621313842234031,
"formula_full": "Na10 Mn4 P4 C4 O28",
"formula_reduced": "Na5Mn2P2(CO7)2",
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"updated_at": "2021-11-28T01:34:33.662000Z",
"spacegroup": 2
},
{
"id": "mp-569991",
"created_at": "2022-09-04T14:39:22.166447Z",
"structure_string": "Na30 Sn2 Ge16 P2\n1.0\n6.474129 -8.823487 0.000000\n6.474129 8.823487 0.000000\n0.000000 0.000000 11.254978\nNa Sn Ge P\n30 2 16 2\ndirect\n0.543078 0.282104 0.383409 Na\n0.232653 0.064252 0.250000 Na\n0.064252 0.232653 0.250000 Na\n0.456922 0.717896 0.883409 Na\n0.803402 0.989131 0.250000 Na\n0.749144 0.749143 0.503057 Na\n0.717896 0.456922 0.883409 Na\n0.320969 0.941802 0.499223 Na\n0.250857 0.250856 0.003057 Na\n0.941802 0.320969 0.499223 Na\n0.679031 0.058198 0.999223 Na\n0.196598 0.010869 0.750000 Na\n0.749144 0.749143 0.996943 Na\n0.010869 0.196598 0.750000 Na\n0.432633 0.432633 0.750000 Na\n0.058198 0.679031 0.500777 Na\n0.058198 0.679031 0.999223 Na\n0.679031 0.058198 0.500777 Na\n0.989131 0.803402 0.250000 Na\n0.282104 0.543078 0.383409 Na\n0.717896 0.456922 0.616591 Na\n0.282104 0.543078 0.116591 Na\n0.767347 0.935748 0.750000 Na\n0.941802 0.320969 0.000777 Na\n0.456922 0.717896 0.616591 Na\n0.250857 0.250856 0.496943 Na\n0.935748 0.767347 0.750000 Na\n0.320969 0.941802 0.000777 Na\n0.543078 0.282104 0.116591 Na\n0.567367 0.567367 0.250000 Na\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.504841 0.011272 0.250000 Ge\n0.196275 0.696694 0.750000 Ge\n0.696694 0.196275 0.750000 Ge\n0.809203 0.517058 0.363759 Ge\n0.482942 0.190797 0.636241 Ge\n0.190797 0.482942 0.636241 Ge\n0.495159 0.988728 0.750000 Ge\n0.190797 0.482942 0.863759 Ge\n0.988728 0.495159 0.750000 Ge\n0.517058 0.809203 0.363759 Ge\n0.482942 0.190797 0.863759 Ge\n0.809203 0.517058 0.136241 Ge\n0.303306 0.803725 0.250000 Ge\n0.011272 0.504841 0.250000 Ge\n0.517058 0.809203 0.136241 Ge\n0.803725 0.303306 0.250000 Ge\n0.343846 0.343846 0.250000 P\n0.656154 0.656154 0.750000 P\n",
"nsites": 50,
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"elements": [
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"Ge",
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],
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"formula_full": "Na30 Sn2 Ge16 P2",
"formula_reduced": "Na15SnGe8P",
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"updated_at": "2021-11-28T01:34:39.754000Z",
"spacegroup": 63
},
{
"id": "mp-695243",
"created_at": "2022-09-04T14:39:29.897436Z",
"structure_string": "Na4 Sr2 La4 Ti10 O30\n1.0\n2.765280 19.732726 0.000000\n-2.765280 19.732726 0.000000\n0.000000 0.755279 5.471905\nNa Sr La Ti O\n4 2 4 10 30\ndirect\n0.748799 0.051595 0.598708 Na\n0.152586 0.447469 0.198540 Na\n0.552531 0.847414 0.801460 Na\n0.948405 0.251201 0.401292 Na\n0.350091 0.649909 0.000000 Sr\n0.851679 0.148321 0.500000 Sr\n0.054225 0.346706 0.307861 La\n0.449457 0.752154 0.903477 La\n0.247846 0.550543 0.096523 La\n0.653294 0.945775 0.692139 La\n0.003766 0.298357 0.854619 Ti\n0.399488 0.702899 0.452011 Ti\n0.799377 0.099663 0.049500 Ti\n0.202774 0.497756 0.646701 Ti\n0.605417 0.895903 0.253828 Ti\n0.701643 0.996234 0.145381 Ti\n0.104097 0.394583 0.746172 Ti\n0.502244 0.797226 0.353299 Ti\n0.900337 0.200623 0.950500 Ti\n0.297101 0.600512 0.547989 Ti\n0.036738 0.869551 0.785693 O\n0.385388 0.614612 0.500000 O\n0.423021 0.286842 0.369572 O\n0.073130 0.830656 0.279323 O\n0.797456 0.000544 0.101604 O\n0.312874 0.175748 0.037231 O\n0.824252 0.687126 0.962769 O\n0.473495 0.233116 0.876792 O\n0.005394 0.394706 0.794133 O\n0.202046 0.397193 0.701996 O\n0.713158 0.576979 0.630428 O\n0.367463 0.123614 0.530566 O\n0.226433 0.083560 0.566107 O\n0.876386 0.632537 0.469434 O\n0.406544 0.794013 0.393520 O\n0.602807 0.797954 0.298004 O\n0.130449 0.963262 0.214307 O\n0.766884 0.526505 0.123208 O\n0.629801 0.479735 0.168323 O\n0.276324 0.033349 0.071343 O\n0.817897 0.182103 0.000000 O\n0.999456 0.202544 0.898396 O\n0.520265 0.370199 0.831677 O\n0.169344 0.926870 0.720677 O\n0.666234 0.443006 0.681628 O\n0.205987 0.593456 0.606480 O\n0.916440 0.773567 0.433893 O\n0.556994 0.333766 0.318372 O\n0.605294 0.994606 0.205867 O\n0.966651 0.723676 0.928657 O\n",
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"volume": 597.1655457457111,
"volume_molar": 7.192429947005784,
"formula_full": "Na4 Sr2 La4 Ti10 O30",
"formula_reduced": "Na2SrLa2Ti5O15",
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"spacegroup": 5
},
{
"id": "mp-1218943",
"created_at": "2022-09-04T14:46:08.605495Z",
"structure_string": "Sr10 Cu5 Mo3 W2 O30\n1.0\n-5.494925 0.000813 0.000001\n-2.747868 2.747636 -4.241914\n2.750311 -19.227921 -12.723731\nSr Cu Mo W O\n10 5 3 2 30\ndirect\n0.349922 0.350070 0.050062 Sr\n0.549994 0.549919 0.649935 Sr\n0.750222 0.750041 0.250346 Sr\n0.949791 0.949905 0.849494 Sr\n0.149995 0.150061 0.450140 Sr\n0.649778 0.649959 0.949654 Sr\n0.850006 0.850081 0.550065 Sr\n0.050078 0.049930 0.149938 Sr\n0.250005 0.249939 0.749860 Sr\n0.450209 0.450095 0.350506 Sr\n0.700000 0.700000 0.100000 Cu\n0.900066 0.899894 0.699974 Cu\n0.100140 0.099722 0.300483 Cu\n0.299860 0.300278 0.899517 Cu\n0.499934 0.500106 0.500026 Cu\n0.799845 0.800261 0.399972 Mo\n0.200000 0.200000 0.600000 Mo\n0.600155 0.599739 0.800028 Mo\n0.999247 0.001072 0.999727 W\n0.400753 0.398928 0.200273 W\n0.862098 0.321667 0.045891 O\n0.062250 0.521379 0.645934 O\n0.262397 0.721241 0.245979 O\n0.462705 0.920518 0.845852 O\n0.662076 0.121618 0.445889 O\n0.137603 0.678759 0.954021 O\n0.337750 0.878621 0.554066 O\n0.537902 0.078333 0.154109 O\n0.737924 0.278382 0.754112 O\n0.937295 0.479482 0.354148 O\n0.483999 0.574712 0.141719 O\n0.884543 0.974857 0.341784 O\n0.284224 0.374785 0.541754 O\n0.684426 0.774653 0.741770 O\n0.084103 0.175171 0.941563 O\n0.916001 0.825288 0.058281 O\n0.315897 0.224829 0.258437 O\n0.715574 0.625347 0.458230 O\n0.115776 0.025215 0.658246 O\n0.515457 0.425143 0.858216 O\n0.627913 0.120885 0.959720 O\n0.028083 0.520142 0.159907 O\n0.428373 0.920772 0.359807 O\n0.828424 0.320456 0.559833 O\n0.228436 0.720324 0.759818 O\n0.371917 0.879858 0.040093 O\n0.772087 0.279115 0.240280 O\n0.171564 0.679676 0.440182 O\n0.571576 0.079544 0.640167 O\n0.971627 0.479228 0.840193 O\n",
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"formula_full": "Sr10 Cu5 Mo3 W2 O30",
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{
"id": "mp-1223591",
"created_at": "2022-09-04T14:46:03.410449Z",
"structure_string": "K2 Ga2 As6 H14 O26\n1.0\n4.697746 0.000000 -0.374476\n0.000000 8.722105 0.000000\n0.057415 0.000000 14.221633\nK Ga As H O\n2 2 6 14 26\ndirect\n0.126764 0.006813 0.512550 K\n0.626764 0.993187 0.012550 K\n0.251367 0.229690 0.748881 Ga\n0.751367 0.770310 0.248881 Ga\n0.710112 0.353843 0.604150 As\n0.294856 0.656712 0.394238 As\n0.794856 0.343288 0.894238 As\n0.210112 0.646157 0.104150 As\n0.750008 0.973478 0.748728 As\n0.250008 0.026522 0.248728 As\n0.413721 0.325869 0.469834 H\n0.598109 0.665447 0.527815 H\n0.098109 0.334553 0.027815 H\n0.913721 0.674131 0.969834 H\n0.354670 0.589647 0.711389 H\n0.645568 0.408762 0.288232 H\n0.145568 0.591238 0.788232 H\n0.854670 0.410353 0.211389 H\n0.485323 0.778658 0.808501 H\n0.512978 0.223389 0.190623 H\n0.012978 0.776611 0.690623 H\n0.985323 0.221342 0.308501 H\n0.026077 0.497861 0.485253 H\n0.526077 0.502139 0.985253 H\n0.536409 0.251927 0.507556 O\n0.458983 0.742471 0.496046 O\n0.958983 0.257529 0.996046 O\n0.036409 0.748073 0.007556 O\n0.248773 0.663687 0.749375 O\n0.748773 0.336313 0.249375 O\n0.634936 0.851251 0.836894 O\n0.374103 0.145751 0.160850 O\n0.874103 0.854249 0.660850 O\n0.134936 0.148749 0.336894 O\n0.478762 0.393318 0.689590 O\n0.527944 0.606266 0.312990 O\n0.027944 0.393734 0.812990 O\n0.978762 0.606682 0.189590 O\n0.976260 0.226559 0.635881 O\n0.021486 0.780292 0.365525 O\n0.521486 0.219708 0.865525 O\n0.476260 0.773441 0.135881 O\n0.468671 0.063104 0.689498 O\n0.518914 0.930029 0.309668 O\n0.018914 0.069971 0.809668 O\n0.968671 0.936896 0.189498 O\n0.825661 0.522470 0.559661 O\n0.167644 0.479262 0.431603 O\n0.667644 0.520738 0.931603 O\n0.325661 0.477530 0.059661 O\n",
"nsites": 50,
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"formula_full": "K2 Ga2 As6 H14 O26",
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{
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"structure_string": "Ca2 B4 H24 O20\n1.0\n6.587907 0.000000 0.000000\n0.000000 8.010537 0.000000\n0.000000 1.982078 7.776968\nCa B H O\n2 4 24 20\ndirect\n0.969911 0.000000 0.250000 Ca\n0.030089 0.000000 0.750000 Ca\n0.274910 0.816234 0.067980 B\n0.725090 0.183766 0.932020 B\n0.274910 0.183766 0.432020 B\n0.725090 0.816234 0.567980 B\n0.666508 0.367198 0.426122 H\n0.904240 0.378111 0.404158 H\n0.904240 0.621889 0.095842 H\n0.095760 0.621889 0.595842 H\n0.333492 0.632802 0.573878 H\n0.232791 0.353441 0.584525 H\n0.165721 0.337767 0.197124 H\n0.666508 0.632802 0.073878 H\n0.095760 0.378111 0.904158 H\n0.476558 0.784247 0.743730 H\n0.232791 0.646559 0.915475 H\n0.834279 0.662233 0.802876 H\n0.834279 0.337767 0.697124 H\n0.340538 0.082509 0.986632 H\n0.767209 0.646559 0.415475 H\n0.476558 0.215753 0.756270 H\n0.165721 0.662233 0.302876 H\n0.523442 0.215753 0.256270 H\n0.659462 0.917491 0.013368 H\n0.767209 0.353441 0.084525 H\n0.659462 0.082509 0.486632 H\n0.523442 0.784247 0.243730 H\n0.333492 0.367198 0.926122 H\n0.340538 0.917491 0.513368 H\n0.746394 0.772714 0.400152 O\n0.774508 0.995452 0.965790 O\n0.210572 0.422577 0.961072 O\n0.253606 0.772714 0.900152 O\n0.774508 0.004548 0.534210 O\n0.746394 0.227286 0.099848 O\n0.484817 0.774190 0.127947 O\n0.225492 0.995452 0.465790 O\n0.115775 0.730404 0.190383 O\n0.515183 0.225810 0.872053 O\n0.210572 0.577423 0.538928 O\n0.789428 0.577423 0.038928 O\n0.115775 0.269596 0.309617 O\n0.884225 0.730404 0.690383 O\n0.484817 0.225810 0.372053 O\n0.515183 0.774190 0.627947 O\n0.789428 0.422577 0.461072 O\n0.253606 0.227286 0.599848 O\n0.884225 0.269596 0.809617 O\n0.225492 0.004548 0.034210 O\n",
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"formula_full": "Ca2 B4 H24 O20",
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{
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{
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}