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{
"id": "mp-755265",
"created_at": "2022-09-04T14:39:59.322757Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n2.846898 4.887236 0.000000\n-2.846898 4.887236 0.000000\n0.000000 3.128158 4.917429\nLi Mn Co O\n2 1 3 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.238727 0.729672 0.797759 O\n0.729672 0.238727 0.797759 O\n0.729943 0.729943 0.795412 O\n0.232338 0.232338 0.790073 O\n0.767662 0.767662 0.209927 O\n0.270057 0.270057 0.204588 O\n0.270328 0.761273 0.202241 O\n0.761273 0.270328 0.202241 O\n",
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},
{
"id": "mp-1201766",
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"structure_string": "Na2 Cu2 H56 C2 S12 N8 O28\n1.0\n15.644135 0.000000 0.000000\n0.000000 6.718798 0.000000\n0.000000 6.063126 10.994284\nNa Cu H C S N O\n2 2 56 2 12 8 28\ndirect\n0.878695 0.198557 0.044479 Na\n0.121305 0.198557 0.544479 Na\n0.694422 0.498522 0.500226 Cu\n0.305578 0.498522 0.000226 Cu\n0.910795 0.606143 0.798821 H\n0.089205 0.606143 0.298821 H\n0.955945 0.633945 0.914641 H\n0.044055 0.633945 0.414641 H\n0.917131 0.865839 0.788287 H\n0.082869 0.865839 0.288287 H\n0.006956 0.731370 0.777857 H\n0.993044 0.731370 0.277857 H\n0.729407 0.043906 0.295463 H\n0.270593 0.043906 0.795463 H\n0.728186 0.293805 0.297333 H\n0.271814 0.293805 0.797333 H\n0.732251 0.046020 0.430671 H\n0.267749 0.046020 0.930671 H\n0.640281 0.122593 0.345880 H\n0.359719 0.122593 0.845880 H\n0.605790 0.862660 0.029628 H\n0.394210 0.862660 0.529628 H\n0.691298 0.982503 0.062394 H\n0.308702 0.982503 0.562394 H\n0.656716 0.091422 0.916693 H\n0.343284 0.091422 0.416693 H\n0.596800 0.119209 0.021055 H\n0.403200 0.119209 0.521055 H\n0.656490 0.872678 0.643540 H\n0.343510 0.872678 0.143540 H\n0.562591 0.000750 0.645305 H\n0.437409 0.000750 0.145305 H\n0.560145 0.761009 0.633451 H\n0.439855 0.761009 0.133451 H\n0.590763 0.747645 0.766166 H\n0.409237 0.747645 0.266166 H\n0.066927 0.289984 0.973660 H\n0.933073 0.289984 0.473660 H\n0.985046 0.994925 0.902683 H\n0.014954 0.994925 0.402683 H\n0.084765 0.923211 0.982031 H\n0.915235 0.923211 0.482031 H\n0.076988 0.166014 0.833388 H\n0.923012 0.166014 0.333388 H\n0.936149 0.561866 0.124884 H\n0.063851 0.561866 0.624884 H\n0.020228 0.444881 0.117867 H\n0.979772 0.444881 0.617867 H\n0.725607 0.523909 0.950791 H\n0.274393 0.523909 0.450791 H\n0.778546 0.548642 0.047243 H\n0.221454 0.548642 0.547243 H\n0.793826 0.768830 0.627025 H\n0.206174 0.768830 0.127025 H\n0.791857 0.004031 0.628350 H\n0.208143 0.004031 0.128350 H\n0.464605 0.316718 0.844350 H\n0.535395 0.316718 0.344350 H\n0.485177 0.197448 0.766430 H\n0.514823 0.197448 0.266430 H\n0.043379 0.064218 0.920182 C\n0.956621 0.064218 0.420182 C\n0.577802 0.603559 0.389377 S\n0.422198 0.603559 0.889377 S\n0.691032 0.320656 0.701324 S\n0.308968 0.320656 0.201324 S\n0.823374 0.567468 0.417851 S\n0.176626 0.567468 0.917851 S\n0.475984 0.505568 0.508793 S\n0.524016 0.505568 0.008793 S\n0.817175 0.265762 0.755665 S\n0.182825 0.265762 0.255665 S\n0.812497 0.722655 0.232480 S\n0.187503 0.722655 0.732480 S\n0.948011 0.709652 0.820843 N\n0.051989 0.709652 0.320843 N\n0.707761 0.125382 0.342659 N\n0.292239 0.125382 0.842659 N\n0.638125 0.013334 0.007128 N\n0.361875 0.013334 0.507128 N\n0.592375 0.846355 0.671708 N\n0.407625 0.846355 0.171708 N\n0.477257 0.628607 0.580296 O\n0.522743 0.628607 0.080296 O\n0.398242 0.565348 0.430673 O\n0.601758 0.565348 0.930673 O\n0.479864 0.254669 0.592174 O\n0.520136 0.254669 0.092174 O\n0.861048 0.491710 0.707166 O\n0.138952 0.491710 0.207166 O\n0.858875 0.132979 0.702644 O\n0.141125 0.132979 0.202644 O\n0.817552 0.139959 0.889498 O\n0.182448 0.139959 0.389498 O\n0.763431 0.579957 0.193597 O\n0.236569 0.579957 0.693597 O\n0.901555 0.761518 0.182114 O\n0.098445 0.761518 0.682114 O\n0.769725 0.948506 0.187734 O\n0.230275 0.948506 0.687734 O\n0.016859 0.202652 0.972240 O\n0.983141 0.202652 0.472240 O\n0.960668 0.469774 0.090207 O\n0.039332 0.469774 0.590207 O\n0.784152 0.510090 0.981276 O\n0.215848 0.510090 0.481276 O\n0.763614 0.915886 0.593702 O\n0.236386 0.915886 0.093702 O\n0.469729 0.165885 0.849096 O\n0.530271 0.165885 0.349096 O\n",
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"elements": [
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"volume_molar": 6.326569856807643,
"formula_full": "Na2 Cu2 H56 C2 S12 N8 O28",
"formula_reduced": "NaCuH28CS6(N2O7)2",
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"energy": -581.71513342,
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"updated_at": "2021-11-28T01:34:44.477000Z",
"spacegroup": 7
},
{
"id": "mp-761108",
"created_at": "2022-09-04T14:39:59.373255Z",
"structure_string": "Bi4 O4 F4\n1.0\n0.000000 4.586267 5.635845\n3.935348 0.000000 5.635845\n3.935348 4.586267 0.000000\nBi O F\n4 4 4\ndirect\n0.073318 0.925776 0.330271 Bi\n0.324224 0.176682 0.579364 Bi\n0.670636 0.330271 0.925776 Bi\n0.919729 0.579364 0.176682 Bi\n0.738660 0.998057 0.257861 O\n0.005422 0.257861 0.998057 O\n0.992139 0.244578 0.511340 O\n0.251943 0.511340 0.244578 O\n0.008923 0.740844 0.752479 F\n0.509156 0.241077 0.752246 F\n0.497754 0.752479 0.740844 F\n0.497521 0.752246 0.241077 F\n",
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},
{
"id": "mp-727466",
"created_at": "2022-09-04T14:39:59.328580Z",
"structure_string": "Mo12 N8 O40\n1.0\n7.739813 0.000000 0.000000\n0.000000 9.557192 0.000000\n0.000000 0.000000 13.608227\nMo N O\n12 8 40\ndirect\n0.002698 0.144224 0.908913 Mo\n0.497302 0.355776 0.408913 Mo\n0.502698 0.855776 0.091087 Mo\n0.997302 0.644224 0.591087 Mo\n0.997302 0.855776 0.091087 Mo\n0.502698 0.644224 0.591087 Mo\n0.497302 0.144224 0.908913 Mo\n0.002698 0.355776 0.408913 Mo\n0.750000 0.353309 0.610701 Mo\n0.750000 0.146691 0.110701 Mo\n0.250000 0.646691 0.389299 Mo\n0.250000 0.853309 0.889299 Mo\n0.750000 0.536097 0.920026 N\n0.750000 0.963903 0.420026 N\n0.250000 0.463903 0.079974 N\n0.250000 0.036097 0.579974 N\n0.250000 0.394323 0.745851 N\n0.250000 0.105677 0.245851 N\n0.750000 0.605677 0.254149 N\n0.750000 0.894323 0.754149 N\n0.750000 0.171383 0.598008 O\n0.750000 0.328617 0.098008 O\n0.250000 0.828617 0.401992 O\n0.250000 0.671383 0.901992 O\n0.750000 0.374966 0.738338 O\n0.750000 0.125034 0.238338 O\n0.250000 0.625034 0.261662 O\n0.250000 0.874966 0.761662 O\n0.750000 0.588209 0.577990 O\n0.750000 0.911791 0.077990 O\n0.250000 0.411791 0.422010 O\n0.250000 0.088209 0.922010 O\n0.515550 0.407039 0.570257 O\n0.984450 0.092961 0.070257 O\n0.015550 0.592961 0.429743 O\n0.484450 0.907039 0.929743 O\n0.484450 0.592961 0.429743 O\n0.015550 0.907039 0.929743 O\n0.984450 0.407039 0.570257 O\n0.515550 0.092961 0.070257 O\n0.488527 0.629272 0.718133 O\n0.011473 0.870728 0.218133 O\n0.988527 0.370728 0.281867 O\n0.511473 0.129272 0.781867 O\n0.511473 0.370728 0.281867 O\n0.988527 0.129272 0.781867 O\n0.011473 0.629272 0.718133 O\n0.488527 0.870728 0.218133 O\n0.250000 0.635739 0.562180 O\n0.250000 0.864261 0.062180 O\n0.750000 0.364261 0.437820 O\n0.750000 0.135739 0.937820 O\n0.540622 0.820915 0.571008 O\n0.959378 0.679085 0.071008 O\n0.040622 0.179085 0.428992 O\n0.459378 0.320915 0.928992 O\n0.459378 0.179085 0.428992 O\n0.040622 0.320915 0.928992 O\n0.959378 0.820915 0.571008 O\n0.540622 0.679085 0.071008 O\n",
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{
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"structure_string": "Na20 Zr11 Si10 P8 O72\n1.0\n9.171326 0.000000 0.000000\n4.573506 7.969540 0.000000\n0.052528 0.005673 23.243036\nNa Zr Si P O\n20 11 10 8 72\ndirect\n0.168487 0.316818 0.891446 Na\n0.550995 0.362744 0.778842 Na\n0.802746 0.333265 0.682478 Na\n0.490020 0.687486 0.904497 Na\n0.529021 0.675902 0.568060 Na\n0.856972 0.555295 0.768523 Na\n0.180716 0.682495 0.832342 Na\n0.812234 0.982189 0.940986 Na\n0.818695 0.018517 0.582240 Na\n0.864371 0.008519 0.237630 Na\n0.072009 0.071574 0.768714 Na\n0.194157 0.970196 0.415102 Na\n0.244977 0.011015 0.040325 Na\n0.521402 0.032590 0.493682 Na\n0.119089 0.320128 0.623180 Na\n0.139899 0.350415 0.249654 Na\n0.514321 0.281231 0.061125 Na\n0.845937 0.336370 0.160548 Na\n0.182670 0.669339 0.333675 Na\n0.803372 0.677207 0.086356 Na\n0.173359 0.658163 0.986699 Zr\n0.163927 0.666901 0.475443 Zr\n0.164624 0.662941 0.688566 Zr\n0.508927 0.997075 0.644263 Zr\n0.494920 0.998285 0.849292 Zr\n0.494803 0.004661 0.151153 Zr\n0.502639 0.987048 0.355377 Zr\n0.828774 0.338028 0.316101 Zr\n0.828297 0.335150 0.515177 Zr\n0.838261 0.322070 0.013761 Zr\n0.167674 0.668123 0.187384 Zr\n0.521281 0.341276 0.915589 Si\n0.229480 0.294786 0.742494 Si\n0.476490 0.725603 0.747720 Si\n0.878448 0.663787 0.580987 Si\n0.138544 0.018543 0.914353 Si\n0.536750 0.629903 0.416817 Si\n0.830247 0.042084 0.418986 Si\n0.205955 0.994518 0.257193 Si\n0.874233 0.970692 0.087672 Si\n0.156560 0.382034 0.094468 Si\n0.842011 0.628843 0.915649 P\n0.789230 0.982809 0.739687 P\n0.166931 0.958261 0.578207 P\n0.459198 0.380935 0.580861 P\n0.125012 0.332920 0.411500 P\n0.498388 0.289208 0.251627 P\n0.794878 0.704638 0.249341 P\n0.463790 0.660237 0.087118 P\n0.037815 0.134787 0.974109 O\n0.307897 0.193979 0.803355 O\n0.557666 0.153088 0.896745 O\n0.647979 0.305426 0.973752 O\n0.368201 0.483925 0.634984 O\n0.320729 0.452842 0.936940 O\n0.543834 0.450608 0.867460 O\n0.054841 0.307885 0.722852 O\n0.639288 0.534243 0.475629 O\n0.629059 0.540497 0.737098 O\n0.289952 0.740865 0.742404 O\n0.867224 0.491953 0.570484 O\n0.805517 0.522655 0.960681 O\n0.189693 0.820267 0.927710 O\n0.923783 0.533875 0.860914 O\n0.474444 0.809257 0.810425 O\n0.214207 0.482094 0.749874 O\n0.486405 0.845777 0.696408 O\n0.990199 0.631675 0.639477 O\n0.965806 0.673752 0.946123 O\n0.687328 0.811923 0.300626 O\n0.677749 0.796181 0.906230 O\n0.685050 0.824766 0.581295 O\n0.317552 0.022832 0.912894 O\n0.976995 0.702159 0.529186 O\n0.675061 0.964850 0.784424 O\n0.348166 0.652424 0.416241 O\n0.967252 0.823369 0.745729 O\n0.987060 0.872288 0.145620 O\n0.005197 0.859047 0.419424 O\n0.666185 0.023003 0.406284 O\n0.728055 0.977332 0.676924 O\n0.184876 0.828214 0.247059 O\n0.135819 0.862876 0.626850 O\n0.480858 0.202366 0.578751 O\n0.198331 0.861019 0.520260 O\n0.806625 0.137418 0.481103 O\n0.512452 0.820218 0.416580 O\n0.859902 0.150357 0.367781 O\n0.796777 0.142947 0.744944 O\n0.297770 0.978290 0.318797 O\n0.322528 0.979906 0.588165 O\n0.008511 0.137249 0.575165 O\n0.021443 0.090188 0.860264 O\n0.015208 0.163179 0.253568 O\n0.639952 0.361143 0.580328 O\n0.320896 0.019499 0.207848 O\n0.019306 0.306188 0.458476 O\n0.689206 0.981323 0.094092 O\n0.301563 0.173352 0.412433 O\n0.316526 0.187128 0.097830 O\n0.360641 0.205377 0.688465 O\n0.986797 0.379612 0.074286 O\n0.038152 0.354468 0.352226 O\n0.471675 0.190722 0.300144 O\n0.826837 0.522056 0.251120 O\n0.529853 0.189494 0.194316 O\n0.117218 0.481291 0.156970 O\n0.842742 0.162644 0.083120 O\n0.211160 0.484991 0.051045 O\n0.139890 0.489966 0.423491 O\n0.659768 0.301755 0.260452 O\n0.337921 0.464236 0.248082 O\n0.359416 0.480558 0.527035 O\n0.967763 0.700563 0.252111 O\n0.374338 0.623037 0.137419 O\n0.643623 0.511401 0.080241 O\n0.645729 0.522678 0.360834 O\n0.361251 0.698192 0.031393 O\n0.474055 0.820929 0.100867 O\n0.704943 0.790516 0.192627 O\n0.973767 0.861811 0.031575 O\n",
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{
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