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{
"id": "mp-1199335",
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"structure_string": "Sb4 H36 C6 I18 N18\n1.0\n5.713424 -6.925489 0.000000\n5.713424 6.925489 0.000000\n0.000000 0.000000 21.702370\nSb H C I N\n4 36 6 18 18\ndirect\n0.733624 0.266376 0.847310 Sb\n0.266376 0.733624 0.152690 Sb\n0.733624 0.266376 0.652690 Sb\n0.266376 0.733624 0.347310 Sb\n0.200420 0.645860 0.750000 H\n0.645860 0.200420 0.250000 H\n0.799580 0.354140 0.250000 H\n0.354140 0.799580 0.750000 H\n0.334686 0.457134 0.875386 H\n0.457134 0.334686 0.124614 H\n0.334686 0.457134 0.624614 H\n0.457134 0.334686 0.375386 H\n0.665314 0.542866 0.124614 H\n0.542866 0.665314 0.875386 H\n0.665314 0.542866 0.375386 H\n0.542866 0.665314 0.624614 H\n0.159711 0.483041 0.903630 H\n0.483041 0.159711 0.096370 H\n0.159711 0.483041 0.596370 H\n0.483041 0.159711 0.403630 H\n0.840289 0.516959 0.096370 H\n0.516959 0.840289 0.903630 H\n0.840289 0.516959 0.403630 H\n0.516959 0.840289 0.596370 H\n0.281970 0.871037 0.941149 H\n0.871037 0.281970 0.058851 H\n0.281970 0.871037 0.558851 H\n0.871037 0.281970 0.441149 H\n0.718030 0.128963 0.058851 H\n0.128963 0.718030 0.941149 H\n0.718030 0.128963 0.441149 H\n0.128963 0.718030 0.558851 H\n0.127685 0.082957 0.750000 H\n0.082957 0.127685 0.250000 H\n0.872315 0.917043 0.250000 H\n0.917043 0.872315 0.750000 H\n0.311282 0.045950 0.750000 H\n0.045950 0.311282 0.250000 H\n0.688718 0.954050 0.250000 H\n0.954050 0.688718 0.750000 H\n0.326742 0.673258 0.905030 C\n0.673258 0.326742 0.094970 C\n0.326742 0.673258 0.594970 C\n0.673258 0.326742 0.405030 C\n0.143402 0.856598 0.750000 C\n0.856598 0.143402 0.250000 C\n0.639872 0.990049 0.750000 I\n0.990049 0.639872 0.250000 I\n0.360128 0.009951 0.250000 I\n0.009951 0.360128 0.750000 I\n0.550242 0.449758 0.750000 I\n0.449758 0.550242 0.250000 I\n0.828929 0.543473 0.919543 I\n0.543473 0.828929 0.080457 I\n0.828929 0.543473 0.580457 I\n0.543473 0.828929 0.419543 I\n0.171071 0.456527 0.080457 I\n0.456527 0.171071 0.919543 I\n0.171071 0.456527 0.419543 I\n0.456527 0.171071 0.580457 I\n0.909430 0.090570 0.918197 I\n0.090570 0.909430 0.081803 I\n0.909430 0.090570 0.581803 I\n0.090570 0.909430 0.418197 I\n0.240036 0.759964 0.750000 N\n0.759964 0.240036 0.250000 N\n0.268608 0.528168 0.892015 N\n0.528168 0.268608 0.107985 N\n0.268608 0.528168 0.607985 N\n0.528168 0.268608 0.392015 N\n0.731392 0.471832 0.107985 N\n0.471832 0.731392 0.892015 N\n0.731392 0.471832 0.392015 N\n0.471832 0.731392 0.607985 N\n0.238790 0.761210 0.930198 N\n0.761210 0.238790 0.069802 N\n0.238790 0.761210 0.569802 N\n0.761210 0.238790 0.430198 N\n0.197492 0.005980 0.750000 N\n0.005980 0.197492 0.250000 N\n0.802508 0.994020 0.250000 N\n0.994020 0.802508 0.750000 N\n",
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"formula_full": "Sb4 H36 C6 I18 N18",
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"spacegroup": 63
},
{
"id": "mp-530398",
"created_at": "2022-09-04T14:40:06.051212Z",
"structure_string": "Li13 Mn21 O48\n1.0\n2.918943 5.092405 0.000000\n-2.918943 5.092405 0.000000\n0.000000 0.035458 28.713394\nLi Mn O\n13 21 48\ndirect\n0.832929 0.832929 0.357970 Li\n0.169254 0.169254 0.144789 Li\n0.166388 0.166388 0.333381 Li\n0.158573 0.158573 0.522816 Li\n0.499602 0.499602 0.307560 Li\n0.497715 0.497715 0.684758 Li\n0.666633 0.666633 0.583295 Li\n0.835592 0.835592 0.481827 Li\n0.833784 0.833784 0.856951 Li\n0.174670 0.174670 0.643755 Li\n0.166934 0.166934 0.832843 Li\n0.500370 0.500370 0.808811 Li\n0.834988 0.834988 0.979477 Li\n0.499624 0.499624 0.000692 Mn\n0.664970 0.168490 0.083265 Mn\n0.665685 0.665685 0.083618 Mn\n0.834198 0.834198 0.167846 Mn\n0.001917 0.496029 0.250149 Mn\n0.168490 0.664970 0.083265 Mn\n0.001929 0.001929 0.250174 Mn\n0.330483 0.836436 0.416698 Mn\n0.496029 0.001917 0.250149 Mn\n0.330884 0.330884 0.416543 Mn\n0.499999 0.499999 0.501859 Mn\n0.666705 0.166647 0.583303 Mn\n0.836436 0.330483 0.416698 Mn\n0.833279 0.833279 0.664721 Mn\n0.002892 0.496767 0.749905 Mn\n0.166647 0.666705 0.583303 Mn\n0.002435 0.002435 0.750056 Mn\n0.330663 0.839429 0.916670 Mn\n0.330646 0.330646 0.916581 Mn\n0.496767 0.002892 0.749905 Mn\n0.839429 0.330663 0.916670 Mn\n0.352662 0.352662 0.043876 O\n0.482627 0.482627 0.119197 O\n0.349677 0.790823 0.044213 O\n0.790823 0.349677 0.044213 O\n0.537652 0.984375 0.122705 O\n0.688923 0.688923 0.209927 O\n0.847227 0.847227 0.046994 O\n0.984375 0.537652 0.122705 O\n0.833353 0.833353 0.285173 O\n0.687797 0.124144 0.210367 O\n0.124144 0.687797 0.210367 O\n0.982623 0.982623 0.122747 O\n0.860031 0.320544 0.284474 O\n0.013202 0.013202 0.382086 O\n0.166513 0.166513 0.214216 O\n0.320544 0.860031 0.284474 O\n0.166267 0.166267 0.452377 O\n0.010826 0.473272 0.382287 O\n0.473272 0.010826 0.382287 O\n0.319386 0.319386 0.284653 O\n0.203111 0.646417 0.455724 O\n0.347948 0.347948 0.543848 O\n0.499613 0.499613 0.381719 O\n0.646417 0.203111 0.455724 O\n0.490403 0.490403 0.617710 O\n0.333704 0.792575 0.540643 O\n0.792575 0.333704 0.540643 O\n0.646251 0.646251 0.457059 O\n0.687024 0.687024 0.709584 O\n0.540701 0.999610 0.625986 O\n0.842879 0.842879 0.548903 O\n0.999610 0.540701 0.625986 O\n0.833737 0.833737 0.784934 O\n0.686849 0.130249 0.710919 O\n0.130249 0.686849 0.710919 O\n0.985299 0.985299 0.622762 O\n0.860122 0.322404 0.784463 O\n0.013299 0.013299 0.882140 O\n0.166981 0.166981 0.714208 O\n0.322404 0.860122 0.784463 O\n0.167140 0.167140 0.951786 O\n0.012090 0.475066 0.882309 O\n0.320065 0.320065 0.784663 O\n0.475066 0.012090 0.882309 O\n0.205438 0.647636 0.956698 O\n0.500148 0.500148 0.881917 O\n0.647636 0.205438 0.956698 O\n0.647109 0.647109 0.957306 O\n",
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"elements": [
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"volume": 853.6170404791101,
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{
"id": "mp-759221",
"created_at": "2022-09-04T14:39:31.035635Z",
"structure_string": "Li6 Fe8 P6 H24 O38\n1.0\n9.215816 -5.418078 0.000000\n9.215816 5.418078 0.000000\n6.030469 0.000000 8.827246\nLi Fe P H O\n6 8 6 24 38\ndirect\n0.677773 0.063920 0.940828 Li\n0.563920 0.177773 0.440828 Li\n0.940828 0.677773 0.063920 Li\n0.440828 0.563920 0.177773 Li\n0.177773 0.440828 0.563920 Li\n0.063920 0.940828 0.677773 Li\n0.978000 0.007758 0.305992 Fe\n0.805992 0.507758 0.478000 Fe\n0.507758 0.478000 0.805992 Fe\n0.002857 0.002857 0.002857 Fe\n0.502857 0.502857 0.502857 Fe\n0.007758 0.305992 0.978000 Fe\n0.478000 0.805992 0.507758 Fe\n0.305992 0.978000 0.007758 Fe\n0.838019 0.301666 0.806614 P\n0.801666 0.338019 0.306614 P\n0.338019 0.306614 0.801666 P\n0.806614 0.838019 0.301666 P\n0.301666 0.806614 0.838019 P\n0.306614 0.801666 0.338019 P\n0.757450 0.002074 0.690781 H\n0.807773 0.140864 0.629060 H\n0.456338 0.032196 0.220177 H\n0.640864 0.307773 0.129060 H\n0.956338 0.720177 0.532196 H\n0.502074 0.257450 0.190781 H\n0.307773 0.129060 0.640864 H\n0.896466 0.596227 0.675012 H\n0.396466 0.175012 0.096227 H\n0.720177 0.532196 0.956338 H\n0.257450 0.190781 0.502074 H\n0.175012 0.096227 0.396466 H\n0.596227 0.675012 0.896466 H\n0.690781 0.757450 0.002074 H\n0.032196 0.220177 0.456338 H\n0.675012 0.896466 0.596227 H\n0.096227 0.396466 0.175012 H\n0.629060 0.807773 0.140864 H\n0.220177 0.456338 0.032196 H\n0.190781 0.502074 0.257450 H\n0.532196 0.956338 0.720177 H\n0.140864 0.629060 0.807773 H\n0.129060 0.640864 0.307773 H\n0.002074 0.690781 0.757450 H\n0.960329 0.145013 0.807507 O\n0.816265 0.039407 0.706077 O\n0.788375 0.182898 0.345326 O\n0.923394 0.381632 0.150827 O\n0.853775 0.321942 0.429766 O\n0.821942 0.353775 0.929766 O\n0.881632 0.423394 0.650827 O\n0.682898 0.288375 0.845326 O\n0.470355 0.131337 0.148310 O\n0.970355 0.648310 0.631337 O\n0.381632 0.150827 0.923394 O\n0.539407 0.316265 0.206077 O\n0.845326 0.682898 0.288375 O\n0.645013 0.460329 0.307507 O\n0.460329 0.307507 0.645013 O\n0.929766 0.821942 0.353775 O\n0.316265 0.206077 0.539407 O\n0.648310 0.631337 0.970355 O\n0.079476 0.079476 0.079476 O\n0.579476 0.579476 0.579476 O\n0.131337 0.148310 0.470355 O\n0.706077 0.816265 0.039407 O\n0.321942 0.429766 0.853775 O\n0.807507 0.960329 0.145013 O\n0.182898 0.345326 0.788375 O\n0.423394 0.650827 0.881632 O\n0.650827 0.881632 0.423394 O\n0.148310 0.470355 0.131337 O\n0.631337 0.970355 0.648310 O\n0.307507 0.645013 0.460329 O\n0.206077 0.539407 0.316265 O\n0.429766 0.853775 0.321942 O\n0.345326 0.788375 0.182898 O\n0.288375 0.845326 0.682898 O\n0.353775 0.929766 0.821942 O\n0.039407 0.706077 0.816265 O\n0.145013 0.807507 0.960329 O\n0.150827 0.923394 0.381632 O\n",
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{
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"structure_string": "Cs2 Fe10 Mo14 O56\n1.0\n21.834876 0.000000 0.000000\n0.000000 7.060692 0.000000\n0.000000 1.823774 8.629584\nCs Fe Mo O\n2 10 14 56\ndirect\n0.250000 0.494819 0.031250 Cs\n0.750000 0.505181 0.968750 Cs\n0.098617 0.648041 0.341351 Fe\n0.598617 0.351959 0.658649 Fe\n0.901383 0.351959 0.658649 Fe\n0.401383 0.648041 0.341351 Fe\n0.250000 0.045351 0.688759 Fe\n0.750000 0.954649 0.311241 Fe\n0.502415 0.974879 0.188700 Fe\n0.002415 0.025121 0.811300 Fe\n0.497585 0.025121 0.811300 Fe\n0.997585 0.974879 0.188700 Fe\n0.142354 0.987252 0.030304 Mo\n0.642354 0.012748 0.969696 Mo\n0.857646 0.012748 0.969696 Mo\n0.357646 0.987252 0.030304 Mo\n0.108364 0.118645 0.449847 Mo\n0.608364 0.881355 0.550153 Mo\n0.891636 0.881355 0.550153 Mo\n0.391636 0.118645 0.449847 Mo\n0.250000 0.585551 0.563303 Mo\n0.750000 0.414449 0.436697 Mo\n0.542340 0.471040 0.248534 Mo\n0.042340 0.528960 0.751466 Mo\n0.457660 0.528960 0.751466 Mo\n0.957660 0.471040 0.248534 Mo\n0.145115 0.739074 0.142610 O\n0.645115 0.260926 0.857390 O\n0.854885 0.260926 0.857390 O\n0.354885 0.739074 0.142610 O\n0.185289 0.001855 0.852548 O\n0.685289 0.998145 0.147452 O\n0.814711 0.998145 0.147452 O\n0.314711 0.001855 0.852548 O\n0.061488 0.043430 0.994226 O\n0.561488 0.956570 0.005774 O\n0.938512 0.956570 0.005774 O\n0.438512 0.043430 0.994226 O\n0.174765 0.139474 0.140874 O\n0.674765 0.860526 0.859126 O\n0.825235 0.860526 0.859126 O\n0.325235 0.139474 0.140874 O\n0.099074 0.364903 0.345081 O\n0.599074 0.635097 0.654919 O\n0.900926 0.635097 0.654919 O\n0.400926 0.364903 0.345081 O\n0.185306 0.073498 0.517419 O\n0.685306 0.926502 0.482581 O\n0.814694 0.926502 0.482581 O\n0.314694 0.073498 0.517419 O\n0.062203 0.091700 0.616278 O\n0.562203 0.908300 0.383722 O\n0.937797 0.908300 0.383722 O\n0.437797 0.091700 0.616278 O\n0.080148 0.943758 0.335676 O\n0.580148 0.056242 0.664324 O\n0.919852 0.056242 0.664324 O\n0.419852 0.943758 0.335676 O\n0.250000 0.339627 0.673168 O\n0.750000 0.660373 0.326832 O\n0.250000 0.750787 0.693942 O\n0.750000 0.249213 0.306058 O\n0.317088 0.627835 0.444467 O\n0.817088 0.372165 0.555533 O\n0.682912 0.372165 0.555533 O\n0.182912 0.627835 0.444467 O\n0.483236 0.668590 0.225283 O\n0.983236 0.331410 0.774717 O\n0.516764 0.331410 0.774717 O\n0.016764 0.668590 0.225283 O\n0.516820 0.264310 0.178296 O\n0.016820 0.735690 0.821704 O\n0.483180 0.735690 0.821704 O\n0.983180 0.264310 0.178296 O\n0.609329 0.556459 0.152697 O\n0.109329 0.443541 0.847303 O\n0.390671 0.443541 0.847303 O\n0.890671 0.556459 0.152697 O\n0.559945 0.394680 0.452028 O\n0.059945 0.605320 0.547972 O\n0.440055 0.605320 0.547972 O\n0.940055 0.394680 0.452028 O\n",
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{
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