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{
"id": "mp-759934",
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"structure_string": "K8 Li4 Mn4 P4 C4 O28\n1.0\n0.110373 7.111280 -5.347970\n0.108005 -7.110310 -5.346761\n-9.873932 -0.001217 -5.241930\nK Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.247314 0.764529 0.737016 K\n0.747473 0.264569 0.737071 K\n0.014601 0.997070 0.736860 K\n0.514625 0.497147 0.736892 K\n0.252584 0.735492 0.262919 K\n0.752599 0.235424 0.262910 K\n0.485460 0.503016 0.263013 K\n0.985299 0.002806 0.263135 K\n0.223154 0.473156 0.995256 Li\n0.723164 0.973123 0.995292 Li\n0.276824 0.026868 0.004752 Li\n0.776863 0.526854 0.004753 Li\n0.178630 0.428467 0.625520 Mn\n0.321710 0.071898 0.374353 Mn\n0.678427 0.928206 0.625643 Mn\n0.821515 0.570988 0.374666 Mn\n0.978136 0.728082 0.577181 P\n0.478041 0.227970 0.577322 P\n0.521900 0.771977 0.422706 P\n0.021859 0.271932 0.422754 P\n0.032201 0.282183 0.931807 C\n0.532248 0.782243 0.931863 C\n0.467799 0.217836 0.068089 C\n0.967742 0.717768 0.068166 C\n0.978316 0.728167 0.947648 O\n0.478418 0.228176 0.947590 O\n0.521607 0.771865 0.052360 O\n0.021631 0.271895 0.052328 O\n0.923799 0.173736 0.909327 O\n0.423836 0.673779 0.909298 O\n0.576182 0.326260 0.090661 O\n0.076179 0.826225 0.090680 O\n0.159997 0.409733 0.832381 O\n0.659993 0.909750 0.832383 O\n0.340003 0.090303 0.167545 O\n0.840014 0.590197 0.167620 O\n0.524479 0.774599 0.561331 O\n0.024595 0.274696 0.561312 O\n0.975346 0.725243 0.438659 O\n0.475535 0.225498 0.438647 O\n0.136254 0.886169 0.546950 O\n0.636139 0.385921 0.547332 O\n0.363750 0.613985 0.452786 O\n0.863712 0.113888 0.452943 O\n0.817935 0.747668 0.659324 O\n0.317821 0.247565 0.659367 O\n0.997495 0.567815 0.659532 O\n0.497274 0.067598 0.659589 O\n0.502620 0.932345 0.340394 O\n0.002500 0.432238 0.340429 O\n0.682080 0.752352 0.340632 O\n0.182078 0.252460 0.340577 O\n",
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{
"id": "mp-1211049",
"created_at": "2022-09-04T14:42:24.094393Z",
"structure_string": "Na8 Cr8 H8 O28\n1.0\n10.510192 0.000000 0.000000\n0.000000 6.341794 0.000000\n0.000000 0.253309 13.520701\nNa Cr H O\n8 8 8 28\ndirect\n0.838141 0.351984 0.230326 Na\n0.338141 0.648016 0.769674 Na\n0.322102 0.321522 0.011319 Na\n0.822102 0.678478 0.988681 Na\n0.339400 0.931733 0.234510 Na\n0.839400 0.068267 0.765490 Na\n0.878713 0.832726 0.471815 Na\n0.378713 0.167274 0.528185 Na\n0.507421 0.436447 0.332847 Cr\n0.007421 0.563553 0.667153 Cr\n0.493069 0.847213 0.005422 Cr\n0.993069 0.152787 0.994578 Cr\n0.994062 0.856471 0.191370 Cr\n0.494062 0.143529 0.808630 Cr\n0.552399 0.661137 0.542163 Cr\n0.052399 0.338863 0.457837 Cr\n0.715297 0.972406 0.313531 H\n0.215297 0.027594 0.686469 H\n0.723160 0.675378 0.797191 H\n0.223160 0.324622 0.202809 H\n0.234678 0.844453 0.427818 H\n0.734678 0.155547 0.572182 H\n0.682816 0.334161 0.065963 H\n0.182816 0.665839 0.934037 H\n0.901911 0.668446 0.150060 O\n0.401911 0.331554 0.849940 O\n0.412979 0.614615 0.285442 O\n0.912979 0.385385 0.714558 O\n0.653848 0.479945 0.296273 O\n0.153848 0.520055 0.703727 O\n0.959318 0.098929 0.123223 O\n0.459318 0.901071 0.876777 O\n0.644462 0.876697 0.024417 O\n0.144462 0.123303 0.975583 O\n0.984363 0.376284 0.350428 O\n0.484363 0.623716 0.649572 O\n0.508225 0.883678 0.490487 O\n0.008225 0.116322 0.509513 O\n0.960298 0.799997 0.697018 O\n0.460298 0.200003 0.302982 O\n0.002388 0.552428 0.534685 O\n0.502388 0.447572 0.465315 O\n0.142569 0.797316 0.174332 O\n0.642569 0.202684 0.825668 O\n0.966054 0.895994 0.307596 O\n0.466054 0.104006 0.692404 O\n0.706927 0.659102 0.552547 O\n0.206927 0.340898 0.447453 O\n0.913244 0.986492 0.926535 O\n0.413244 0.013508 0.073465 O\n0.451157 0.605631 0.031465 O\n0.951157 0.394369 0.968535 O\n",
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{
"id": "mp-772547",
"created_at": "2022-09-04T14:42:17.489734Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.816774 0.000000 0.000000\n-0.046558 8.966373 0.000000\n-0.020036 -0.039588 10.331538\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.252349 0.083072 0.121288 Na\n0.251906 0.083725 0.618881 Na\n0.001290 0.257606 0.375996 Na\n0.001767 0.259582 0.876296 Na\n0.498342 0.259131 0.876407 Na\n0.501801 0.741846 0.124893 Na\n0.998316 0.741451 0.124710 Na\n0.501908 0.741146 0.622961 Na\n0.998224 0.741042 0.622609 Na\n0.750298 0.916767 0.879401 Na\n0.490737 0.266650 0.379556 Li\n0.745920 0.917855 0.377841 Li\n0.749022 0.360626 0.113187 Mn\n0.747685 0.360353 0.608834 Mn\n0.249684 0.639907 0.387938 Mn\n0.250132 0.637875 0.889600 Mn\n0.253100 0.409272 0.150486 P\n0.249784 0.410503 0.646258 P\n0.746304 0.591459 0.350545 P\n0.750023 0.588458 0.851285 P\n0.748324 0.059384 0.137880 C\n0.749172 0.055366 0.627550 C\n0.256100 0.943941 0.368403 C\n0.250067 0.939852 0.867847 C\n0.267644 0.088542 0.358806 O\n0.249116 0.083957 0.857170 O\n0.749624 0.117596 0.022404 O\n0.748422 0.108895 0.510608 O\n0.744859 0.146537 0.238892 O\n0.748153 0.145852 0.727321 O\n0.067099 0.318082 0.111230 O\n0.433505 0.318101 0.104850 O\n0.064769 0.318709 0.606211 O\n0.431207 0.318323 0.601826 O\n0.262016 0.424195 0.301844 O\n0.736567 0.431535 0.409566 O\n0.252890 0.427411 0.797071 O\n0.750415 0.430715 0.912425 O\n0.250167 0.568108 0.091228 O\n0.748716 0.572920 0.200180 O\n0.249845 0.568942 0.586808 O\n0.749403 0.570208 0.700707 O\n0.567978 0.689438 0.390635 O\n0.931663 0.681438 0.393179 O\n0.567356 0.680712 0.892444 O\n0.933646 0.681258 0.892495 O\n0.249666 0.860229 0.264864 O\n0.250441 0.855438 0.764872 O\n0.250141 0.880177 0.481195 O\n0.250744 0.877660 0.981500 O\n0.750822 0.915633 0.153502 O\n0.750864 0.912519 0.645519 O\n",
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"formula_reduced": "Na5LiMn2P2(CO7)2",
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{
"id": "mp-1200917",
"created_at": "2022-09-04T14:42:15.010834Z",
"structure_string": "Sm4 Bi4 W8 O36\n1.0\n0.000000 0.000000 -3.936701\n0.000000 -5.813268 0.000000\n-33.341769 0.000000 0.000000\nSm Bi W O\n4 4 8 36\ndirect\n0.738959 0.250000 0.333777 Sm\n0.761041 0.250000 0.833777 Sm\n0.261041 0.750000 0.666223 Sm\n0.238959 0.750000 0.166223 Sm\n0.716980 0.750000 0.525918 Bi\n0.783020 0.750000 0.025918 Bi\n0.283020 0.250000 0.474082 Bi\n0.216980 0.250000 0.974082 Bi\n0.271177 0.750000 0.293202 W\n0.228823 0.750000 0.793202 W\n0.728823 0.250000 0.706798 W\n0.771177 0.250000 0.206798 W\n0.766372 0.750000 0.421595 W\n0.733628 0.750000 0.921595 W\n0.233628 0.250000 0.578405 W\n0.266372 0.250000 0.078405 W\n0.743086 0.521357 0.471167 O\n0.756914 0.978643 0.971167 O\n0.256914 0.021357 0.528833 O\n0.243086 0.478643 0.028833 O\n0.256914 0.478643 0.528833 O\n0.243086 0.021357 0.028833 O\n0.743086 0.978643 0.471167 O\n0.756914 0.521357 0.971167 O\n0.741814 0.504080 0.387879 O\n0.758186 0.995920 0.887879 O\n0.258186 0.004080 0.612121 O\n0.241814 0.495920 0.112121 O\n0.258186 0.495920 0.612121 O\n0.241814 0.004080 0.112121 O\n0.741814 0.995920 0.387879 O\n0.758186 0.504080 0.887879 O\n0.238211 0.026200 0.320884 O\n0.261789 0.473800 0.820884 O\n0.761789 0.526200 0.679116 O\n0.738211 0.973800 0.179116 O\n0.761789 0.973800 0.679116 O\n0.738211 0.526200 0.179116 O\n0.238211 0.473800 0.320884 O\n0.261789 0.026200 0.820884 O\n0.247607 0.750000 0.428077 O\n0.252393 0.750000 0.928077 O\n0.752393 0.250000 0.571923 O\n0.747607 0.250000 0.071923 O\n0.736272 0.250000 0.260638 O\n0.763728 0.250000 0.760638 O\n0.263728 0.750000 0.739362 O\n0.236272 0.750000 0.239362 O\n0.747775 0.750000 0.297480 O\n0.752225 0.750000 0.797480 O\n0.252225 0.250000 0.702520 O\n0.247775 0.250000 0.202520 O\n",
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{
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"structure_string": "Na12 Mg4 C8 Cl4 O24\n1.0\n0.000000 7.091562 7.091562\n7.091562 0.000000 7.091562\n7.091562 7.091562 0.000000\nNa Mg C Cl O\n12 4 8 4 24\ndirect\n0.725369 0.725369 0.274631 Na\n0.274631 0.725369 0.725369 Na\n0.725369 0.274631 0.274631 Na\n0.725369 0.274631 0.725369 Na\n0.274631 0.274631 0.725369 Na\n0.975369 0.524631 0.975369 Na\n0.975369 0.524631 0.524631 Na\n0.524631 0.975369 0.975369 Na\n0.524631 0.975369 0.524631 Na\n0.975369 0.975369 0.524631 Na\n0.274631 0.725369 0.274631 Na\n0.524631 0.524631 0.975369 Na\n0.125000 0.625000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.908358 0.908358 0.274926 C\n0.908358 0.908358 0.908358 C\n0.274926 0.908358 0.908358 C\n0.908358 0.274926 0.908358 C\n0.341642 0.341642 0.975074 C\n0.341642 0.341642 0.341642 C\n0.975074 0.341642 0.341642 C\n0.341642 0.975074 0.341642 C\n0.625000 0.125000 0.625000 Cl\n0.125000 0.625000 0.625000 Cl\n0.625000 0.625000 0.625000 Cl\n0.625000 0.625000 0.125000 Cl\n0.016096 0.942739 0.764323 O\n0.276842 0.764323 0.942739 O\n0.764323 0.942739 0.276842 O\n0.942739 0.016096 0.276842 O\n0.942739 0.764323 0.016096 O\n0.764323 0.016096 0.942739 O\n0.276842 0.942739 0.016096 O\n0.016096 0.764323 0.276842 O\n0.764323 0.276842 0.016096 O\n0.942739 0.276842 0.764323 O\n0.233904 0.485677 0.973158 O\n0.973158 0.307261 0.233904 O\n0.485677 0.233904 0.307261 O\n0.973158 0.233904 0.485677 O\n0.307261 0.485677 0.233904 O\n0.307261 0.233904 0.973158 O\n0.485677 0.307261 0.973158 O\n0.973158 0.485677 0.307261 O\n0.016096 0.276842 0.942739 O\n0.233904 0.307261 0.485677 O\n0.307261 0.973158 0.485677 O\n0.485677 0.973158 0.233904 O\n0.233904 0.973158 0.307261 O\n0.276842 0.016096 0.764323 O\n",
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{
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"structure_string": "Ni12 Te8 O32\n1.0\n0.000000 0.000000 -4.969017\n-6.454674 -11.262252 0.000000\n-6.489737 11.281692 0.000000\nNi Te O\n12 8 32\ndirect\n0.528812 0.431279 0.357819 Ni\n0.529251 0.931307 0.567885 Ni\n0.536385 0.640035 0.071403 Ni\n0.530484 0.925564 0.358000 Ni\n0.527471 0.636815 0.568298 Ni\n0.536532 0.430831 0.070833 Ni\n0.028812 0.568721 0.642181 Ni\n0.029251 0.068693 0.432115 Ni\n0.036385 0.359965 0.928597 Ni\n0.030484 0.074436 0.642000 Ni\n0.027471 0.363185 0.431702 Ni\n0.036532 0.569168 0.929167 Ni\n0.472802 0.138982 0.861350 Te\n0.472366 0.723072 0.862564 Te\n0.468529 0.140617 0.283985 Te\n0.972802 0.861018 0.138650 Te\n0.972366 0.276928 0.137436 Te\n0.968529 0.859383 0.716015 Te\n0.638556 0.665587 0.332701 Te\n0.138556 0.334413 0.667299 Te\n0.234260 0.205416 0.795168 O\n0.233026 0.589981 0.795015 O\n0.208467 0.202547 0.405165 O\n0.734260 0.794584 0.204832 O\n0.733026 0.410019 0.204985 O\n0.708467 0.797453 0.594835 O\n0.211767 0.323494 0.052800 O\n0.202110 0.731647 0.681570 O\n0.204767 0.947960 0.274112 O\n0.212159 0.729217 0.053130 O\n0.203829 0.950154 0.679411 O\n0.203125 0.323999 0.272675 O\n0.711767 0.676506 0.947200 O\n0.702110 0.268353 0.318430 O\n0.704767 0.052040 0.725888 O\n0.712159 0.270783 0.946870 O\n0.703829 0.049846 0.320589 O\n0.703125 0.676001 0.727325 O\n0.918223 0.402091 0.596526 O\n0.919243 0.194688 0.596631 O\n0.920953 0.403292 0.806481 O\n0.418223 0.597909 0.403474 O\n0.419243 0.805312 0.403369 O\n0.420953 0.596708 0.193519 O\n0.333412 0.479138 0.520474 O\n0.336271 0.042168 0.520677 O\n0.340373 0.478864 0.957621 O\n0.833412 0.520862 0.479526 O\n0.836271 0.957832 0.479323 O\n0.840373 0.521136 0.042379 O\n0.383826 0.058872 0.126080 O\n0.883826 0.941128 0.873920 O\n",
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"volume": 866.9172990957021,
"volume_molar": 10.039803850833344,
"formula_full": "Ag16 Te4 N8 O24",
"formula_reduced": "Ag4Te(NO3)2",
"formula_anonymous": "AB2C4D6",
"energy": -267.88183509,
"energy_per_atom": -5.151573751730769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.70583509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.358000Z",
"spacegroup": 198
}
]
}