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{
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{
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"formula_full": "Li14 Mn2 O8 F4",
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"spacegroup": 1
},
{
"id": "mp-766204",
"created_at": "2022-09-04T14:45:03.449086Z",
"structure_string": "Zn4 P4 H20 C8 N16 O12\n1.0\n8.401859 0.000000 0.000000\n0.000000 9.391936 0.000000\n0.000000 2.464831 9.578056\nZn P H C N O\n4 4 20 8 16 12\ndirect\n0.605620 0.459621 0.323170 Zn\n0.894380 0.959621 0.323170 Zn\n0.105620 0.040379 0.676830 Zn\n0.394380 0.540379 0.676830 Zn\n0.836272 0.209937 0.479776 P\n0.336272 0.290063 0.520224 P\n0.663728 0.709937 0.479776 P\n0.163728 0.790063 0.520224 P\n0.165019 0.323432 0.094852 H\n0.021480 0.308707 0.221810 H\n0.334981 0.823432 0.094852 H\n0.415989 0.163554 0.274553 H\n0.522681 0.998169 0.326069 H\n0.478520 0.808707 0.221810 H\n0.084011 0.663554 0.274553 H\n0.977319 0.498169 0.326069 H\n0.688369 0.138369 0.503549 H\n0.188369 0.361631 0.496451 H\n0.811631 0.638369 0.503549 H\n0.311631 0.861631 0.496451 H\n0.022681 0.501831 0.673931 H\n0.915989 0.336446 0.725447 H\n0.521480 0.191293 0.778190 H\n0.477319 0.001831 0.673931 H\n0.584011 0.836446 0.725447 H\n0.665019 0.176568 0.905148 H\n0.978520 0.691293 0.778190 H\n0.834981 0.676568 0.905148 H\n0.704195 0.439044 0.027370 C\n0.370338 0.011249 0.161783 C\n0.795805 0.939044 0.027370 C\n0.129662 0.511249 0.161783 C\n0.870338 0.488751 0.838217 C\n0.204195 0.060956 0.972630 C\n0.629662 0.988751 0.838217 C\n0.295805 0.560956 0.972630 C\n0.261103 0.098392 0.079183 N\n0.238897 0.598392 0.079183 N\n0.646874 0.466800 0.127099 N\n0.092133 0.376445 0.148551 N\n0.445655 0.064042 0.257551 N\n0.853126 0.966800 0.127099 N\n0.407867 0.876445 0.148551 N\n0.054345 0.564042 0.257551 N\n0.945655 0.435958 0.742449 N\n0.592133 0.123555 0.851449 N\n0.146874 0.033200 0.872901 N\n0.554345 0.935958 0.742449 N\n0.907867 0.623555 0.851449 N\n0.353126 0.533200 0.872901 N\n0.761103 0.401608 0.920817 N\n0.738897 0.901608 0.920817 N\n0.923773 0.151570 0.366764 O\n0.424402 0.325006 0.379055 O\n0.803547 0.376194 0.428399 O\n0.576227 0.651570 0.366764 O\n0.075598 0.825006 0.379055 O\n0.303547 0.123806 0.571601 O\n0.696453 0.876194 0.428399 O\n0.924402 0.174994 0.620945 O\n0.423773 0.348430 0.633236 O\n0.196453 0.623806 0.571601 O\n0.575598 0.674994 0.620945 O\n0.076227 0.848430 0.633236 O\n",
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"density_atomic": 0.08467829183529174,
"volume": 755.8017363468643,
"volume_molar": 7.111788192083164,
"formula_full": "Zn4 P4 H20 C8 N16 O12",
"formula_reduced": "ZnPH5C2N4O3",
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"spacegroup": 14
},
{
"id": "mp-1078192",
"created_at": "2022-09-04T14:45:03.622385Z",
"structure_string": "Eu4 Sb2 O1\n1.0\n-2.431486 2.431486 8.445331\n2.431486 -2.431486 8.445331\n2.431486 2.431486 -8.445331\nEu Sb O\n4 2 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.831673 0.831673 0.000000 Eu\n0.168327 0.168327 0.000000 Eu\n0.637629 0.637629 0.000000 Sb\n0.362371 0.362371 0.000000 Sb\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Eu4 Sb2 O1",
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},
{
"id": "mp-755102",
"created_at": "2022-09-04T14:45:03.711127Z",
"structure_string": "K6 Cr2 O9\n1.0\n4.284069 4.773805 0.000000\n-4.284069 4.773805 0.000000\n0.000000 0.163122 7.867906\nK Cr O\n6 2 9\ndirect\n0.500298 0.500298 0.982584 K\n0.998623 0.504829 0.266208 K\n0.003029 0.493396 0.779597 K\n0.995873 0.995873 0.535514 K\n0.493396 0.003029 0.779597 K\n0.504829 0.998623 0.266208 K\n0.511095 0.511095 0.509215 Cr\n0.970161 0.970161 0.986043 Cr\n0.797160 0.797160 0.059643 O\n0.163397 0.827657 0.872864 O\n0.675950 0.675950 0.602267 O\n0.328498 0.671012 0.391954 O\n0.671012 0.328498 0.391954 O\n0.370012 0.370012 0.652431 O\n0.827657 0.163397 0.872864 O\n0.231894 0.231894 0.074340 O\n0.092616 0.092616 0.159219 O\n",
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"formula_full": "K6 Cr2 O9",
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{
"id": "mp-860963",
"created_at": "2022-09-04T14:45:03.713000Z",
"structure_string": "Ag8 H16 S12 O48\n1.0\n7.195957 0.000000 0.000000\n0.000000 10.352227 0.000000\n0.000000 0.000000 14.192696\nAg H S O\n8 16 12 48\ndirect\n0.247436 0.129845 0.163103 Ag\n0.376485 0.155983 0.810829 Ag\n0.876485 0.344017 0.310829 Ag\n0.747436 0.370155 0.663103 Ag\n0.252564 0.629845 0.163103 Ag\n0.123515 0.655983 0.810829 Ag\n0.623515 0.844017 0.310829 Ag\n0.752564 0.870155 0.663103 Ag\n0.080034 0.055584 0.367021 H\n0.081922 0.049854 0.579515 H\n0.704425 0.177038 0.005800 H\n0.550423 0.240038 0.480423 H\n0.050423 0.259962 0.980423 H\n0.204425 0.322962 0.505800 H\n0.581922 0.450146 0.079515 H\n0.580034 0.444416 0.867021 H\n0.419966 0.555584 0.367021 H\n0.418078 0.549854 0.579515 H\n0.795575 0.677038 0.005800 H\n0.949577 0.740038 0.480423 H\n0.449577 0.759962 0.980423 H\n0.295575 0.822962 0.505800 H\n0.918078 0.950146 0.079515 H\n0.919966 0.944416 0.867021 H\n0.713115 0.078309 0.138652 S\n0.774969 0.095418 0.481161 S\n0.864404 0.145868 0.830390 S\n0.364404 0.354132 0.330390 S\n0.274969 0.404582 0.981161 S\n0.213115 0.421691 0.638652 S\n0.786885 0.578309 0.138652 S\n0.725031 0.595418 0.481161 S\n0.635596 0.645868 0.830390 S\n0.135596 0.854132 0.330390 S\n0.225031 0.904582 0.981161 S\n0.286885 0.921691 0.638652 S\n0.181944 0.004038 0.334781 O\n0.642930 0.006193 0.439999 O\n0.565103 0.043387 0.203284 O\n0.224562 0.046332 0.586103 O\n0.867831 0.045827 0.567467 O\n0.915864 0.146344 0.414665 O\n0.874481 0.144229 0.176175 O\n0.043427 0.164752 0.785025 O\n0.615882 0.161167 0.061220 O\n0.865716 0.193781 0.929878 O\n0.706490 0.197442 0.776659 O\n0.662388 0.216378 0.520243 O\n0.162388 0.283622 0.020243 O\n0.206490 0.302558 0.276659 O\n0.365716 0.306219 0.429878 O\n0.115882 0.338833 0.561220 O\n0.543427 0.335248 0.285025 O\n0.374481 0.355771 0.676175 O\n0.415865 0.353656 0.914665 O\n0.367831 0.454173 0.067467 O\n0.724562 0.453668 0.086103 O\n0.065103 0.456613 0.703284 O\n0.142930 0.493807 0.939999 O\n0.681944 0.495962 0.834781 O\n0.318056 0.504038 0.334781 O\n0.857070 0.506193 0.439999 O\n0.934897 0.543387 0.203284 O\n0.275438 0.546332 0.586103 O\n0.632169 0.545827 0.567467 O\n0.584136 0.646344 0.414665 O\n0.625519 0.644229 0.176175 O\n0.456573 0.664752 0.785025 O\n0.884118 0.661167 0.061220 O\n0.634284 0.693781 0.929878 O\n0.793510 0.697442 0.776659 O\n0.837612 0.716378 0.520243 O\n0.337612 0.783622 0.020243 O\n0.293510 0.802558 0.276659 O\n0.134284 0.806219 0.429878 O\n0.384118 0.838833 0.561220 O\n0.956573 0.835248 0.285025 O\n0.125519 0.855771 0.676175 O\n0.084136 0.853656 0.914665 O\n0.132169 0.954173 0.067467 O\n0.775438 0.953668 0.086103 O\n0.434897 0.956613 0.703284 O\n0.357070 0.993807 0.939999 O\n0.818056 0.995962 0.834781 O\n",
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"formula_full": "Ag8 H16 S12 O48",
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{
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"structure_string": "Li1 Bi2 As2 Pb2 O10\n1.0\n5.573003 -0.015997 -2.168913\n-1.099929 6.734646 -2.477359\n-0.036471 0.242144 7.398473\nLi Bi As Pb O\n1 2 2 2 10\ndirect\n0.636220 0.488896 0.989325 Li\n0.116523 0.261013 0.040344 Bi\n0.052714 0.762362 0.985074 Bi\n0.659819 0.654609 0.357213 As\n0.282617 0.344585 0.644753 As\n0.445505 0.900952 0.703509 Pb\n0.716199 0.093190 0.295931 Pb\n0.146316 0.306546 0.384940 O\n0.409560 0.787709 0.306772 O\n0.781450 0.696835 0.631266 O\n0.538017 0.401142 0.189235 O\n0.079868 0.213689 0.696371 O\n0.838922 0.723852 0.232085 O\n0.296186 0.007329 0.007493 O\n0.832468 0.012506 0.002375 O\n0.348900 0.586808 0.808402 O\n0.556812 0.257978 0.724912 O\n",
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{
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"structure_string": "P2 H16 S2 N6 O2\n1.0\n6.946858 0.000000 0.000000\n0.000000 6.352705 0.000000\n0.000000 1.065498 10.434171\nP H S N O\n2 16 2 6 2\ndirect\n0.284976 0.568866 0.344396 P\n0.784976 0.431134 0.655604 P\n0.116171 0.831558 0.252233 H\n0.616171 0.168442 0.747767 H\n0.028409 0.363268 0.352429 H\n0.528409 0.636732 0.647571 H\n0.945241 0.412043 0.574864 H\n0.445241 0.587957 0.425136 H\n0.501446 0.207176 0.047166 H\n0.001446 0.792824 0.952834 H\n0.376583 0.543130 0.222955 H\n0.876583 0.456870 0.777045 H\n0.658656 0.743773 0.058179 H\n0.158656 0.256227 0.941821 H\n0.696018 0.853025 0.063914 H\n0.196018 0.146975 0.936086 H\n0.754628 0.276392 0.970198 H\n0.254628 0.723608 0.029802 H\n0.072940 0.648405 0.044147 S\n0.572940 0.351595 0.955853 S\n0.066757 0.934202 0.732294 N\n0.566757 0.065798 0.267706 N\n0.129759 0.918858 0.635684 N\n0.629759 0.081142 0.364316 N\n0.144781 0.394841 0.406681 N\n0.644781 0.605159 0.593319 N\n0.215635 0.815769 0.319528 O\n0.715635 0.184231 0.680472 O\n",
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