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{
"id": "mp-1173602",
"created_at": "2022-09-04T14:39:23.714983Z",
"structure_string": "Na4 Mg12 Si16 H4 O48\n1.0\n10.596464 0.820183 1.575050\n0.620157 8.597391 4.769076\n-0.530749 -0.041107 10.305008\nNa Mg Si H O\n4 12 16 4 48\ndirect\n0.000000 0.500000 0.000000 Na\n0.249918 0.729009 0.541792 Na\n0.500000 0.500000 0.000000 Na\n0.750082 0.270991 0.458208 Na\n0.000000 0.000000 0.000000 Mg\n0.004364 0.820179 0.360051 Mg\n0.249980 0.087779 0.824426 Mg\n0.249947 0.254820 0.489878 Mg\n0.250058 0.909846 0.180336 Mg\n0.500000 0.000000 0.000000 Mg\n0.504119 0.180792 0.639789 Mg\n0.495881 0.819208 0.360211 Mg\n0.749942 0.090154 0.819664 Mg\n0.750053 0.745180 0.510122 Mg\n0.750020 0.912221 0.175574 Mg\n0.995636 0.179821 0.639949 Mg\n0.112998 0.122970 0.339896 Si\n0.112305 0.458662 0.654481 Si\n0.133946 0.636451 0.170512 Si\n0.134832 0.806972 0.827962 Si\n0.366110 0.192645 0.171228 Si\n0.364925 0.364917 0.828594 Si\n0.387089 0.537244 0.339081 Si\n0.387582 0.887096 0.654073 Si\n0.612418 0.112904 0.345927 Si\n0.612911 0.462756 0.660919 Si\n0.635075 0.635083 0.171406 Si\n0.633890 0.807355 0.828772 Si\n0.865168 0.193028 0.172038 Si\n0.866054 0.363549 0.829488 Si\n0.887695 0.541338 0.345519 Si\n0.887002 0.877030 0.660104 Si\n0.125040 0.207324 0.998127 H\n0.374776 0.794829 0.997970 H\n0.625224 0.205171 0.002030 H\n0.874960 0.792676 0.001873 H\n0.017067 0.538051 0.241207 O\n0.112225 0.134521 0.490952 O\n0.021551 0.772179 0.756158 O\n0.147937 0.107040 0.998619 O\n0.105422 0.802549 0.172945 O\n0.102743 0.611317 0.498942 O\n0.145104 0.289056 0.652928 O\n0.140782 0.660878 0.999305 O\n0.102879 0.975552 0.825815 O\n0.229915 0.225271 0.247540 O\n0.138286 0.955097 0.340327 O\n0.226812 0.464760 0.752738 O\n0.270416 0.528047 0.245975 O\n0.358746 0.339501 0.000083 O\n0.354884 0.058088 0.652831 O\n0.273047 0.782847 0.752268 O\n0.394656 0.024438 0.173016 O\n0.352096 0.894200 0.998651 O\n0.361901 0.704307 0.340294 O\n0.387606 0.374564 0.489865 O\n0.397017 0.198814 0.825798 O\n0.483111 0.220447 0.241676 O\n0.397107 0.889997 0.498440 O\n0.478246 0.471481 0.757015 O\n0.521754 0.528519 0.242985 O\n0.602893 0.110003 0.501560 O\n0.516889 0.779553 0.758324 O\n0.647904 0.105800 0.001349 O\n0.602983 0.801186 0.174202 O\n0.612394 0.625436 0.510135 O\n0.638099 0.295693 0.659706 O\n0.641254 0.660499 0.999917 O\n0.605344 0.975562 0.826984 O\n0.726953 0.217153 0.247732 O\n0.645116 0.941912 0.347169 O\n0.729584 0.471953 0.754025 O\n0.773188 0.535240 0.247262 O\n0.859218 0.339122 0.000695 O\n0.861714 0.044903 0.659673 O\n0.770085 0.774729 0.752460 O\n0.897121 0.024448 0.174185 O\n0.852063 0.892960 0.001381 O\n0.854896 0.710944 0.347072 O\n0.897257 0.388683 0.501058 O\n0.894578 0.197451 0.827055 O\n0.978449 0.227821 0.243842 O\n0.887775 0.865479 0.509048 O\n0.982933 0.461949 0.758793 O\n",
"nsites": 84,
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"elements": [
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],
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"formula_full": "Na4 Mg12 Si16 H4 O48",
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"updated_at": "2021-11-28T01:34:27.119000Z",
"spacegroup": 15
},
{
"id": "mp-1023257",
"created_at": "2022-09-04T14:39:23.721860Z",
"structure_string": "Ca2 Mg12 Ti2\n1.0\n5.151489 0.000000 0.000000\n0.000000 6.767981 0.000000\n0.000000 0.000000 11.113764\nCa Mg Ti\n2 12 2\ndirect\n0.500000 0.500000 0.337100 Ca\n0.500000 0.000000 0.837100 Ca\n0.500000 0.749346 0.083330 Mg\n0.500000 0.250654 0.083330 Mg\n0.000000 0.730666 0.913769 Mg\n0.000000 0.269334 0.913769 Mg\n0.000000 0.500000 0.157909 Mg\n0.000000 0.500000 0.671072 Mg\n0.500000 0.249346 0.583330 Mg\n0.500000 0.750654 0.583330 Mg\n0.000000 0.230666 0.413769 Mg\n0.000000 0.769334 0.413769 Mg\n0.000000 0.000000 0.657909 Mg\n0.000000 0.000000 0.171072 Mg\n0.500000 0.500000 0.839725 Ti\n0.500000 0.000000 0.339725 Ti\n",
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"elements": [
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"formula_full": "Ca2 Mg12 Ti2",
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{
"id": "mp-1199306",
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"structure_string": "Co4 H64 C16 S16 N32 Cl8\n1.0\n13.579297 0.000000 0.000000\n0.000000 13.579297 0.000000\n0.000000 0.000000 9.463172\nCo H C S N Cl\n4 64 16 16 32 8\ndirect\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.750000 Co\n0.400715 0.903275 0.298306 H\n0.599285 0.096725 0.298306 H\n0.596725 0.900715 0.798306 H\n0.403275 0.099285 0.798306 H\n0.099285 0.596725 0.201694 H\n0.900715 0.403275 0.201694 H\n0.903275 0.599285 0.701694 H\n0.096725 0.400715 0.701694 H\n0.328702 0.852658 0.162324 H\n0.671298 0.147342 0.162324 H\n0.647342 0.828702 0.662324 H\n0.352658 0.171298 0.662324 H\n0.171298 0.647342 0.337676 H\n0.828702 0.352658 0.337676 H\n0.852658 0.671298 0.837676 H\n0.147342 0.328702 0.837676 H\n0.250733 0.951752 0.003873 H\n0.749267 0.048248 0.003873 H\n0.548248 0.750733 0.503873 H\n0.451752 0.249267 0.503873 H\n0.249267 0.548248 0.496127 H\n0.750733 0.451752 0.496127 H\n0.951752 0.749267 0.996127 H\n0.048248 0.250733 0.996127 H\n0.250660 0.080502 0.026259 H\n0.749340 0.919498 0.026259 H\n0.419498 0.750660 0.526259 H\n0.580502 0.249340 0.526259 H\n0.249340 0.419498 0.473741 H\n0.750660 0.580502 0.473741 H\n0.080502 0.749340 0.973741 H\n0.919498 0.250660 0.973741 H\n0.914543 0.059933 0.254112 H\n0.085457 0.940067 0.254112 H\n0.440067 0.414543 0.754112 H\n0.559933 0.585457 0.754112 H\n0.585457 0.440067 0.245888 H\n0.414543 0.559933 0.245888 H\n0.059933 0.085457 0.745888 H\n0.940067 0.914543 0.745888 H\n0.857324 0.138028 0.376957 H\n0.142676 0.861972 0.376957 H\n0.361972 0.357324 0.876957 H\n0.638028 0.642676 0.876957 H\n0.642676 0.361972 0.123043 H\n0.357324 0.638028 0.123043 H\n0.138028 0.142676 0.623043 H\n0.861972 0.857324 0.623043 H\n0.946016 0.253955 0.502550 H\n0.053984 0.746045 0.502550 H\n0.246045 0.446016 0.002550 H\n0.753955 0.553984 0.002550 H\n0.553984 0.246045 0.997450 H\n0.446016 0.753955 0.997450 H\n0.253955 0.053984 0.497450 H\n0.746045 0.946016 0.497450 H\n0.065041 0.282468 0.445370 H\n0.934959 0.717532 0.445370 H\n0.217532 0.565041 0.945370 H\n0.782468 0.434959 0.945370 H\n0.434959 0.217532 0.054630 H\n0.565041 0.782468 0.054630 H\n0.282468 0.934959 0.554630 H\n0.717532 0.065041 0.554630 H\n0.326496 0.003685 0.177018 C\n0.673504 0.996315 0.177018 C\n0.496315 0.826496 0.677018 C\n0.503685 0.173504 0.677018 C\n0.173504 0.496315 0.322982 C\n0.826496 0.503685 0.322982 C\n0.003685 0.673504 0.822982 C\n0.996315 0.326496 0.822982 C\n0.002615 0.168620 0.338992 C\n0.997385 0.831380 0.338992 C\n0.331380 0.502615 0.838992 C\n0.668620 0.497385 0.838992 C\n0.497385 0.331380 0.161008 C\n0.502615 0.668620 0.161008 C\n0.168620 0.997385 0.661008 C\n0.831380 0.002615 0.661008 C\n0.361271 0.104430 0.275434 S\n0.638729 0.895570 0.275434 S\n0.395570 0.861271 0.775434 S\n0.604430 0.138729 0.775434 S\n0.138729 0.395570 0.224566 S\n0.861271 0.604430 0.224566 S\n0.104430 0.638729 0.724566 S\n0.895570 0.361271 0.724566 S\n0.102393 0.142666 0.233309 S\n0.897607 0.857334 0.233309 S\n0.357334 0.602393 0.733309 S\n0.642666 0.397607 0.733309 S\n0.397607 0.357334 0.266691 S\n0.602393 0.642666 0.266691 S\n0.142666 0.897607 0.766691 S\n0.857334 0.102393 0.766691 S\n0.353257 0.912864 0.217079 N\n0.646743 0.087136 0.217079 N\n0.587136 0.853257 0.717079 N\n0.412864 0.146743 0.717079 N\n0.146743 0.587136 0.282921 N\n0.853257 0.412864 0.282921 N\n0.912864 0.646743 0.782921 N\n0.087136 0.353257 0.782921 N\n0.271471 0.012167 0.060340 N\n0.728529 0.987833 0.060340 N\n0.487833 0.771471 0.560340 N\n0.512167 0.228529 0.560340 N\n0.228529 0.487833 0.439660 N\n0.771471 0.512167 0.439660 N\n0.012167 0.728529 0.939660 N\n0.987833 0.271471 0.939660 N\n0.919098 0.117184 0.322973 N\n0.080902 0.882816 0.322973 N\n0.382816 0.419098 0.822973 N\n0.617184 0.580902 0.822973 N\n0.580902 0.382816 0.177027 N\n0.419098 0.617184 0.177027 N\n0.117184 0.080902 0.677027 N\n0.882816 0.919098 0.677027 N\n0.004367 0.239150 0.437621 N\n0.995633 0.760850 0.437621 N\n0.260850 0.504367 0.937621 N\n0.739150 0.495633 0.937621 N\n0.495633 0.260850 0.062379 N\n0.504367 0.739150 0.062379 N\n0.239150 0.995633 0.562379 N\n0.760850 0.004367 0.562379 N\n0.251115 0.241098 0.981434 Cl\n0.748885 0.758902 0.981434 Cl\n0.258902 0.751115 0.481434 Cl\n0.741098 0.248885 0.481434 Cl\n0.248885 0.258902 0.518566 Cl\n0.751115 0.741098 0.518566 Cl\n0.241098 0.748885 0.018566 Cl\n0.758902 0.251115 0.018566 Cl\n",
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"formula_full": "Co4 H64 C16 S16 N32 Cl8",
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{
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"structure_string": "La8 Cu6 Mo2 O24\n1.0\n10.947179 0.000000 0.000000\n0.000000 6.939946 0.000000\n0.000000 0.011050 7.991519\nLa Cu Mo O\n8 6 2 24\ndirect\n0.498439 0.762450 0.630055 La\n0.997859 0.248779 0.879513 La\n0.001561 0.762450 0.630055 La\n0.998439 0.237550 0.369945 La\n0.002141 0.751221 0.120487 La\n0.497859 0.751221 0.120487 La\n0.501561 0.237550 0.369945 La\n0.502141 0.248779 0.879513 La\n0.250000 0.109805 0.090771 Cu\n0.750000 0.884403 0.343276 Cu\n0.250000 0.115597 0.656724 Cu\n0.250000 0.544077 0.873316 Cu\n0.750000 0.455923 0.126684 Cu\n0.750000 0.890195 0.909229 Cu\n0.250000 0.579196 0.377572 Mo\n0.750000 0.420804 0.622428 Mo\n0.250000 0.715425 0.576179 O\n0.073621 0.580151 0.376515 O\n0.584439 0.415694 0.125533 O\n0.917577 0.916043 0.371759 O\n0.416550 0.085026 0.122453 O\n0.417577 0.083957 0.628241 O\n0.084439 0.584306 0.874467 O\n0.750000 0.688216 0.619742 O\n0.750000 0.284575 0.423821 O\n0.916550 0.914974 0.877547 O\n0.250000 0.311784 0.380258 O\n0.583450 0.914974 0.877547 O\n0.926379 0.419849 0.623485 O\n0.750000 0.289868 0.824067 O\n0.083450 0.085026 0.122453 O\n0.250000 0.262616 0.875007 O\n0.082423 0.083957 0.628241 O\n0.426379 0.580151 0.376515 O\n0.573621 0.419849 0.623485 O\n0.415561 0.584306 0.874467 O\n0.582423 0.916043 0.371759 O\n0.915561 0.415694 0.125533 O\n0.250000 0.710132 0.175933 O\n0.750000 0.737384 0.124993 O\n",
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{
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{
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{
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