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{
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"results": [
{
"id": "mp-1245934",
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"structure_string": "Cd2 C16 N12\n1.0\n5.560531 0.000000 0.000000\n0.000000 7.903148 0.000000\n0.000000 0.000000 10.964924\nCd C N\n2 16 12\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.398653 0.000000 0.745494 C\n0.398653 0.500000 0.754506 C\n0.601347 0.000000 0.254506 C\n0.601347 0.500000 0.245494 C\n0.587064 0.000000 0.660040 C\n0.587064 0.500000 0.839960 C\n0.412936 0.000000 0.339960 C\n0.412936 0.500000 0.160040 C\n0.687580 0.152007 0.618270 C\n0.687580 0.347993 0.881730 C\n0.312420 0.152007 0.381730 C\n0.687580 0.652007 0.881730 C\n0.312420 0.847993 0.381730 C\n0.312420 0.652007 0.118270 C\n0.687580 0.847993 0.618270 C\n0.312420 0.347993 0.118270 C\n0.772981 0.277498 0.581882 N\n0.772981 0.222502 0.918118 N\n0.227019 0.277498 0.418118 N\n0.772981 0.777498 0.918118 N\n0.227019 0.722502 0.418118 N\n0.227019 0.777498 0.081882 N\n0.772981 0.722502 0.581882 N\n0.227019 0.222502 0.081882 N\n0.241962 0.000000 0.816868 N\n0.241962 0.500000 0.683132 N\n0.758038 0.000000 0.183132 N\n0.758038 0.500000 0.316868 N\n",
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"spacegroup": 53
},
{
"id": "mp-756858",
"created_at": "2022-09-04T14:42:17.694231Z",
"structure_string": "Li2 V6 O16\n1.0\n3.645203 0.000000 0.000000\n0.000000 6.835726 0.000000\n0.000000 2.983583 11.638655\nLi V O\n2 6 16\ndirect\n0.000000 0.180262 0.319692 Li\n0.500000 0.528834 0.050718 Li\n0.500000 0.265714 0.798252 V\n0.000000 0.691711 0.464704 V\n0.500000 0.120190 0.077430 V\n0.000000 0.878235 0.916684 V\n0.500000 0.308845 0.536075 V\n0.000000 0.738382 0.200443 V\n0.000000 0.184279 0.827349 O\n0.500000 0.325183 0.956086 O\n0.500000 0.605595 0.459606 O\n0.500000 0.497056 0.724342 O\n0.000000 0.870923 0.323650 O\n0.000000 0.826766 0.556397 O\n0.000000 0.044251 0.076068 O\n0.000000 0.761979 0.815997 O\n0.500000 0.240909 0.182264 O\n0.500000 0.945719 0.932650 O\n0.500000 0.179465 0.436951 O\n0.500000 0.139542 0.673658 O\n0.000000 0.502694 0.276244 O\n0.000000 0.393064 0.540384 O\n0.000000 0.666873 0.048536 O\n0.500000 0.808260 0.172790 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 3.2953489859044103,
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"volume": 290.00745367247936,
"volume_molar": 7.276940447770207,
"formula_full": "Li2 V6 O16",
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"spacegroup": 6
},
{
"id": "mp-6824",
"created_at": "2022-09-04T14:44:56.791164Z",
"structure_string": "Na4 Zr2 Si8 O22\n1.0\n5.123674 5.595621 0.000000\n-5.123674 5.595621 0.000000\n0.000000 1.581434 8.548489\nNa Zr Si O\n4 2 8 22\ndirect\n0.924375 0.075625 0.250000 Na\n0.075625 0.924375 0.750000 Na\n0.605819 0.394181 0.250000 Na\n0.394181 0.605819 0.750000 Na\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.807958 0.663506 0.639273 Si\n0.192042 0.336494 0.360727 Si\n0.663506 0.807958 0.139273 Si\n0.267391 0.833046 0.073083 Si\n0.166954 0.732609 0.426917 Si\n0.732609 0.166954 0.926917 Si\n0.833046 0.267391 0.573083 Si\n0.336494 0.192042 0.860727 Si\n0.372269 0.205817 0.354669 O\n0.794183 0.627731 0.145331 O\n0.627731 0.794183 0.645331 O\n0.205817 0.372269 0.854669 O\n0.372797 0.104076 0.698912 O\n0.895924 0.627203 0.801088 O\n0.627203 0.895924 0.301088 O\n0.104076 0.372797 0.198912 O\n0.286654 0.823643 0.530913 O\n0.176357 0.713346 0.969087 O\n0.713346 0.176357 0.469087 O\n0.823643 0.286654 0.030913 O\n0.473864 0.756066 0.086151 O\n0.243934 0.526136 0.413849 O\n0.840704 0.159296 0.750000 O\n0.159296 0.840704 0.250000 O\n0.041283 0.246399 0.496299 O\n0.753601 0.958717 0.003701 O\n0.958717 0.753601 0.503701 O\n0.246399 0.041283 0.996299 O\n0.756066 0.473864 0.586151 O\n0.526136 0.243934 0.913849 O\n",
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},
{
"id": "mp-1213149",
"created_at": "2022-09-04T14:46:54.436831Z",
"structure_string": "Cs2 Yb2 W4 O16\n1.0\n5.344409 0.000000 0.000000\n0.000000 7.447295 0.000000\n0.000000 0.903441 9.406462\nCs Yb W O\n2 2 4 16\ndirect\n0.406840 0.750000 0.500000 Cs\n0.593160 0.250000 0.500000 Cs\n0.470945 0.750000 0.000000 Yb\n0.529055 0.250000 0.000000 Yb\n0.978064 0.511379 0.181134 W\n0.021936 0.488621 0.818866 W\n0.978064 0.988621 0.818866 W\n0.021936 0.011379 0.181134 W\n0.865892 0.256071 0.167107 O\n0.134108 0.743929 0.832893 O\n0.865892 0.243929 0.832893 O\n0.134108 0.756071 0.167107 O\n0.890015 0.949276 0.353377 O\n0.109985 0.050724 0.646623 O\n0.890015 0.550724 0.646623 O\n0.109985 0.449276 0.353377 O\n0.771052 0.970683 0.034573 O\n0.228948 0.029317 0.965427 O\n0.771052 0.529317 0.965427 O\n0.228948 0.470683 0.034573 O\n0.666486 0.601419 0.217015 O\n0.333514 0.398581 0.782985 O\n0.666486 0.898581 0.782985 O\n0.333514 0.101419 0.217015 O\n",
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],
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"volume": 374.39026656727464,
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"formula_full": "Cs2 Yb2 W4 O16",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 13
},
{
"id": "mp-695554",
"created_at": "2022-09-04T14:39:43.888283Z",
"structure_string": "Mg7 V1 Fe1 Mo15 O56\n1.0\n8.510469 0.000000 0.000000\n-0.028281 9.242172 0.000000\n-1.930807 -0.023998 16.120583\nMg V Fe Mo O\n7 1 1 15 56\ndirect\n0.592680 0.506898 0.593609 Mg\n0.340779 0.992070 0.845173 Mg\n0.092664 0.500027 0.096343 Mg\n0.157210 0.006930 0.655863 Mg\n0.845771 0.996712 0.339143 Mg\n0.906895 0.492938 0.907131 Mg\n0.407698 0.493546 0.405026 Mg\n0.036232 0.139778 0.171945 V\n0.663816 0.008379 0.157743 Fe\n0.743390 0.117827 0.947454 Mo\n0.538237 0.138907 0.672711 Mo\n0.504447 0.618545 0.802965 Mo\n0.245307 0.118760 0.445834 Mo\n0.211780 0.639361 0.576837 Mo\n0.287607 0.361087 0.923471 Mo\n0.004193 0.618580 0.302711 Mo\n0.995467 0.381205 0.697193 Mo\n0.961409 0.861061 0.828161 Mo\n0.711979 0.641713 0.078734 Mo\n0.789000 0.360328 0.423051 Mo\n0.754000 0.882117 0.550737 Mo\n0.499459 0.377821 0.196473 Mo\n0.460377 0.861091 0.325703 Mo\n0.256926 0.885808 0.056979 Mo\n0.892995 0.990345 0.909542 O\n0.792807 0.299341 0.930366 O\n0.697895 0.165047 0.747846 O\n0.696150 0.571166 0.847972 O\n0.493543 0.309311 0.627254 O\n0.553139 0.071896 0.900827 O\n0.492728 0.593836 0.693911 O\n0.395350 0.991141 0.406274 O\n0.457005 0.799177 0.823948 O\n0.373944 0.573471 0.523404 O\n0.447376 0.335917 0.998559 O\n0.376161 0.072633 0.726247 O\n0.293890 0.299833 0.426190 O\n0.354973 0.491134 0.842486 O\n0.182733 0.159597 0.247073 O\n0.258020 0.092955 0.554827 O\n0.197209 0.572348 0.346284 O\n0.256388 0.809778 0.622813 O\n0.243328 0.191161 0.877045 O\n0.245919 0.910379 0.947588 O\n0.145208 0.509003 0.657854 O\n0.997935 0.302089 0.124864 O\n0.052662 0.071689 0.402855 O\n0.988970 0.594903 0.193443 O\n0.123675 0.927240 0.774861 O\n0.052227 0.664107 0.501722 O\n0.125443 0.429073 0.976056 O\n0.042908 0.200357 0.676494 O\n0.956286 0.798799 0.323860 O\n0.872877 0.577780 0.025281 O\n0.947916 0.335467 0.498622 O\n0.868893 0.067661 0.220213 O\n0.006647 0.406186 0.806243 O\n0.945860 0.928556 0.596248 O\n0.005810 0.690728 0.873355 O\n0.854467 0.491285 0.342352 O\n0.744364 0.089085 0.056046 O\n0.753652 0.813297 0.126784 O\n0.743486 0.190361 0.376738 O\n0.803576 0.428220 0.652623 O\n0.742281 0.907479 0.441609 O\n0.802336 0.835742 0.752773 O\n0.645130 0.508959 0.157716 O\n0.706315 0.701297 0.572097 O\n0.622578 0.928903 0.270816 O\n0.552834 0.666713 0.003979 O\n0.625807 0.427487 0.475246 O\n0.554648 0.196660 0.176404 O\n0.605352 0.008737 0.591622 O\n0.509170 0.403953 0.304782 O\n0.454242 0.934151 0.101222 O\n0.507910 0.691168 0.370580 O\n0.309026 0.422858 0.151330 O\n0.301406 0.833873 0.251152 O\n0.208095 0.703827 0.076346 O\n0.111129 0.010347 0.094367 O\n",
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"formula_full": "Mg7 V1 Fe1 Mo15 O56",
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"energy": -643.77708882,
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"spacegroup": 1
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{
"id": "mp-1047325",
"created_at": "2022-09-04T14:40:27.582107Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n1.457122 -4.807528 0.000000\n1.457122 4.807528 0.000000\n0.000000 0.000000 10.143881\nTi Zn O\n4 2 8\ndirect\n0.127101 0.872899 0.069697 Ti\n0.872899 0.127101 0.930303 Ti\n0.127101 0.872899 0.430303 Ti\n0.872899 0.127101 0.569697 Ti\n0.617808 0.382192 0.750000 Zn\n0.382192 0.617808 0.250000 Zn\n0.774878 0.225122 0.386099 O\n0.225122 0.774878 0.613901 O\n0.225122 0.774878 0.886099 O\n0.774878 0.225122 0.113901 O\n0.036991 0.963009 0.250000 O\n0.963009 0.036991 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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],
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"volume": 142.11891364802597,
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"formula_full": "Ti4 Zn2 O8",
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{
"id": "mp-776472",
"created_at": "2022-09-04T14:43:42.862835Z",
"structure_string": "Li3 Mn4 B4 O12\n1.0\n5.227086 0.000000 0.000000\n0.308006 6.167576 0.000000\n0.247354 1.313683 7.781329\nLi Mn B O\n3 4 4 12\ndirect\n0.910198 0.534412 0.147889 Li\n0.426781 0.018961 0.638829 Li\n0.088415 0.466574 0.842391 Li\n0.403567 0.747462 0.001192 Mn\n0.895508 0.257715 0.494266 Mn\n0.097633 0.752338 0.491142 Mn\n0.599106 0.227747 0.013201 Mn\n0.100018 0.107189 0.167340 B\n0.401308 0.407406 0.336636 B\n0.594775 0.576411 0.672174 B\n0.902914 0.910443 0.828948 B\n0.984407 0.263055 0.043843 O\n0.982677 0.041761 0.327962 O\n0.338872 0.016228 0.136416 O\n0.538230 0.475672 0.183715 O\n0.508525 0.271330 0.471979 O\n0.141934 0.480955 0.345252 O\n0.854857 0.504149 0.643974 O\n0.480991 0.735985 0.556263 O\n0.471649 0.494560 0.827582 O\n0.647855 0.984526 0.850935 O\n0.038666 0.996841 0.680493 O\n0.008589 0.745534 0.948838 O\n",
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{
"id": "mp-1103967",
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"structure_string": "Mn1 Re2 O10\n1.0\n0.191880 0.000000 -5.664239\n0.000000 -5.830872 0.000000\n-7.393401 2.915436 2.910752\nMn Re O\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.300681 0.634287 0.268574 Re\n0.699319 0.365713 0.731426 Re\n0.273120 0.813969 0.130565 O\n0.273120 0.316596 0.130565 O\n0.726880 0.186031 0.869435 O\n0.726880 0.683404 0.869435 O\n0.595145 0.726269 0.452538 O\n0.404855 0.273731 0.547462 O\n0.100783 0.907143 0.814286 O\n0.899217 0.092857 0.185714 O\n0.056805 0.673253 0.346506 O\n0.943195 0.326747 0.653494 O\n",
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{
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