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{
"id": "mp-20484",
"created_at": "2022-09-04T14:40:07.006849Z",
"structure_string": "Li2 Fe1 Cu1 C6 N6\n1.0\n0.000000 5.118708 5.118708\n5.118708 0.000000 5.118708\n5.118708 5.118708 0.000000\nLi Fe Cu C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cu\n0.182295 0.817705 0.182295 C\n0.817705 0.817705 0.182295 C\n0.182295 0.182295 0.817705 C\n0.817705 0.182295 0.182295 C\n0.817705 0.182295 0.817705 C\n0.182295 0.817705 0.817705 C\n0.297562 0.702438 0.702438 N\n0.702438 0.297562 0.702438 N\n0.297562 0.297562 0.702438 N\n0.702438 0.297562 0.297562 N\n0.702438 0.702438 0.297562 N\n0.297562 0.702438 0.297562 N\n",
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{
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"structure_string": "Sn4 S32 N32 Cl16\n1.0\n12.115799 0.000000 0.000000\n0.000000 12.762665 0.000000\n0.000000 0.000000 12.962967\nSn S N Cl\n4 32 32 16\ndirect\n0.247299 0.001081 0.569808 Sn\n0.752701 0.001081 0.069808 Sn\n0.752701 0.501081 0.430192 Sn\n0.247299 0.501081 0.930192 Sn\n0.883017 0.097171 0.742104 S\n0.612533 0.893582 0.394685 S\n0.947056 0.657631 0.104391 S\n0.513977 0.559513 0.852035 S\n0.513977 0.059513 0.647965 S\n0.641480 0.101970 0.295909 S\n0.486023 0.059513 0.147965 S\n0.021869 0.448202 0.508776 S\n0.358520 0.601970 0.704091 S\n0.558687 0.348892 0.763621 S\n0.387467 0.893582 0.894685 S\n0.052944 0.657631 0.604391 S\n0.052944 0.157631 0.895609 S\n0.866465 0.392037 0.651843 S\n0.116983 0.597171 0.257896 S\n0.021869 0.948202 0.991224 S\n0.441313 0.348892 0.263621 S\n0.641480 0.601970 0.204091 S\n0.486023 0.559513 0.352035 S\n0.358520 0.101970 0.795909 S\n0.133535 0.392037 0.151843 S\n0.866465 0.892037 0.848157 S\n0.978131 0.948202 0.491224 S\n0.133535 0.892037 0.348157 S\n0.612533 0.393582 0.105315 S\n0.883017 0.597171 0.757896 S\n0.947056 0.157631 0.395609 S\n0.978131 0.448202 0.008776 S\n0.441313 0.848892 0.236379 S\n0.558687 0.848892 0.736379 S\n0.387467 0.393582 0.605315 S\n0.116983 0.097171 0.242104 S\n0.450729 0.332309 0.695025 N\n0.639700 0.012356 0.381826 N\n0.381195 0.052155 0.678823 N\n0.549271 0.832309 0.304975 N\n0.360300 0.512356 0.618174 N\n0.112132 0.947127 0.462646 N\n0.138332 0.977532 0.258423 N\n0.920773 0.555356 0.042511 N\n0.057453 0.664765 0.171050 N\n0.421963 0.954330 0.177793 N\n0.079227 0.555356 0.542511 N\n0.861668 0.977532 0.758423 N\n0.639700 0.512356 0.118174 N\n0.942547 0.164765 0.828950 N\n0.450729 0.832309 0.804975 N\n0.057453 0.164765 0.328950 N\n0.138332 0.477532 0.241577 N\n0.079227 0.055356 0.957489 N\n0.578037 0.954330 0.677793 N\n0.887868 0.947127 0.962646 N\n0.920773 0.055356 0.457489 N\n0.861668 0.477532 0.741577 N\n0.578037 0.454330 0.822207 N\n0.421963 0.454330 0.322207 N\n0.112132 0.447127 0.037354 N\n0.887868 0.447127 0.537354 N\n0.360300 0.012356 0.881826 N\n0.549271 0.332309 0.195025 N\n0.618805 0.052155 0.178823 N\n0.942547 0.664765 0.671050 N\n0.618805 0.552155 0.321177 N\n0.381195 0.552155 0.821177 N\n0.144510 0.161563 0.609276 Cl\n0.152368 0.911884 0.711422 Cl\n0.655247 0.590590 0.570682 Cl\n0.344753 0.590590 0.070682 Cl\n0.855490 0.661563 0.390724 Cl\n0.652586 0.339052 0.474035 Cl\n0.847632 0.411884 0.288578 Cl\n0.344753 0.090590 0.429318 Cl\n0.655247 0.090590 0.929318 Cl\n0.144510 0.661563 0.890724 Cl\n0.652586 0.839052 0.025965 Cl\n0.347414 0.839052 0.525965 Cl\n0.347414 0.339052 0.974035 Cl\n0.152368 0.411884 0.788578 Cl\n0.847632 0.911884 0.211422 Cl\n0.855490 0.161563 0.109276 Cl\n",
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{
"id": "mp-5853",
"created_at": "2022-09-04T14:40:06.839454Z",
"structure_string": "Li2 Si4 N6\n1.0\n2.663412 -4.636527 0.000000\n2.663412 4.636527 0.000000\n0.000000 0.000000 4.811728\nLi Si N\n2 4 6\ndirect\n0.659467 0.659467 0.999226 Li\n0.340533 0.340533 0.499226 Li\n0.328943 0.997479 0.986943 Si\n0.671057 0.002521 0.486943 Si\n0.002521 0.671057 0.486943 Si\n0.997479 0.328943 0.986943 Si\n0.337729 0.940949 0.625426 N\n0.662271 0.059051 0.125426 N\n0.274321 0.274321 0.065758 N\n0.725679 0.725679 0.565758 N\n0.940949 0.337729 0.625426 N\n0.059051 0.662271 0.125426 N\n",
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"formula_full": "Li2 Si4 N6",
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},
{
"id": "mp-561095",
"created_at": "2022-09-04T14:40:06.744913Z",
"structure_string": "Li2 Ho6 Ge4 O16 F4\n1.0\n2.555325 8.859966 0.000000\n-2.555325 8.859966 0.000000\n0.000000 7.606675 8.875839\nLi Ho Ge O F\n2 6 4 16 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.083658 0.671979 0.151165 Ho\n0.328021 0.916342 0.348835 Ho\n0.916342 0.328021 0.848835 Ho\n0.789759 0.210241 0.250000 Ho\n0.210241 0.789759 0.750000 Ho\n0.671979 0.083658 0.651165 Ho\n0.619598 0.091170 0.989426 Ge\n0.908830 0.380402 0.510574 Ge\n0.091170 0.619598 0.489426 Ge\n0.380402 0.908830 0.010574 Ge\n0.131718 0.323827 0.329209 O\n0.868282 0.676173 0.670791 O\n0.913798 0.775991 0.365967 O\n0.893095 0.041650 0.928397 O\n0.106905 0.958350 0.071603 O\n0.958350 0.106905 0.571603 O\n0.289209 0.447533 0.976072 O\n0.710791 0.552467 0.023928 O\n0.552467 0.710791 0.523928 O\n0.447533 0.289209 0.476072 O\n0.086202 0.224009 0.634033 O\n0.775991 0.913798 0.865967 O\n0.323827 0.131718 0.829209 O\n0.224009 0.086202 0.134033 O\n0.676173 0.868282 0.170791 O\n0.041650 0.893095 0.428397 O\n0.517424 0.340188 0.171163 F\n0.340188 0.517424 0.671163 F\n0.659812 0.482576 0.328837 F\n0.482576 0.659812 0.828837 F\n",
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"formula_full": "Li2 Ho6 Ge4 O16 F4",
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{
"id": "mp-27323",
"created_at": "2022-09-04T14:40:06.780609Z",
"structure_string": "Ba1 Mn2 O3\n1.0\n-1.834046 2.193436 5.586107\n1.834046 -2.193436 5.586107\n1.834046 2.193436 -5.586107\nBa Mn O\n1 2 3\ndirect\n0.500000 0.000000 0.500000 Ba\n0.811350 0.311350 0.500000 Mn\n0.188650 0.688650 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.294304 0.294304 0.000000 O\n0.705696 0.705696 0.000000 O\n",
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{
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"structure_string": "Li4 Al4 H16\n1.0\n7.824700 0.000000 0.000000\n0.000000 4.861909 0.000000\n0.000000 2.923327 7.306969\nLi Al H\n4 4 16\ndirect\n0.964769 0.429311 0.324344 Li\n0.464769 0.570689 0.175656 Li\n0.035231 0.570689 0.675656 Li\n0.535231 0.429311 0.824344 Li\n0.702163 0.860251 0.432306 Al\n0.202163 0.139749 0.067694 Al\n0.297837 0.139749 0.567694 Al\n0.797837 0.860251 0.932306 Al\n0.599040 0.817573 0.264314 H\n0.099040 0.182427 0.235686 H\n0.400960 0.182427 0.735686 H\n0.900960 0.817573 0.764314 H\n0.872010 0.646198 0.477774 H\n0.372010 0.353802 0.022226 H\n0.127990 0.353802 0.522226 H\n0.627990 0.646198 0.977774 H\n0.582592 0.761803 0.614221 H\n0.082592 0.238197 0.885779 H\n0.417408 0.238197 0.385779 H\n0.917408 0.761803 0.114221 H\n0.764020 0.201883 0.372382 H\n0.264020 0.798117 0.127618 H\n0.235980 0.798117 0.627618 H\n0.735980 0.201883 0.872382 H\n",
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{
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"structure_string": "Li2 As2 Xe6 F24\n1.0\n13.817091 0.000000 0.000000\n0.000000 7.228710 0.000000\n0.000000 0.219655 7.225721\nLi As Xe F\n2 2 6 24\ndirect\n0.886788 0.727476 0.688008 Li\n0.386788 0.272524 0.311992 Li\n0.628219 0.788005 0.796911 As\n0.128219 0.211995 0.203089 As\n0.897304 0.226986 0.691404 Xe\n0.397304 0.773014 0.308596 Xe\n0.897825 0.731151 0.188272 Xe\n0.397825 0.268849 0.811728 Xe\n0.155716 0.711972 0.723404 Xe\n0.655716 0.288028 0.276596 Xe\n0.842825 0.479199 0.590261 F\n0.342825 0.520801 0.409739 F\n0.862922 0.853951 0.435732 F\n0.362922 0.146049 0.564268 F\n0.024457 0.654005 0.591495 F\n0.524457 0.345995 0.408505 F\n0.948161 0.970989 0.785739 F\n0.448161 0.029011 0.214261 F\n0.930083 0.608704 0.938822 F\n0.430083 0.391296 0.061178 F\n0.285591 0.764689 0.849403 F\n0.785591 0.235311 0.150597 F\n0.759461 0.804052 0.795671 F\n0.259461 0.195948 0.204329 F\n0.636981 0.543716 0.812319 F\n0.136981 0.456284 0.187681 F\n0.630241 0.781193 0.552719 F\n0.130241 0.218807 0.447281 F\n0.623668 0.032917 0.783983 F\n0.123668 0.967083 0.216017 F\n0.631861 0.793185 0.042203 F\n0.131861 0.206815 0.957797 F\n0.500396 0.777264 0.798335 F\n0.000396 0.222736 0.201665 F\n",
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{
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"structure_string": "Sr4 Zn2 H12 O12\n1.0\n6.822614 0.000000 0.000000\n0.000000 6.341773 0.000000\n0.000000 5.664055 9.634924\nSr Zn H O\n4 2 12 12\ndirect\n0.575426 0.171552 0.650741 Sr\n0.924574 0.171552 0.150741 Sr\n0.424574 0.828448 0.349259 Sr\n0.075426 0.828448 0.849259 Sr\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.677292 0.821265 0.581124 H\n0.822708 0.821265 0.081124 H\n0.322708 0.178735 0.418876 H\n0.177292 0.178735 0.918876 H\n0.739119 0.912536 0.520642 H\n0.760881 0.912536 0.020642 H\n0.260881 0.087464 0.479358 H\n0.239119 0.087464 0.979358 H\n0.221978 0.518872 0.153858 H\n0.278022 0.518872 0.653858 H\n0.778022 0.481128 0.846142 H\n0.721978 0.481128 0.346142 H\n0.614445 0.216562 0.251269 O\n0.885555 0.216562 0.751269 O\n0.385555 0.783438 0.748731 O\n0.114445 0.783438 0.248731 O\n0.702131 0.528742 0.416050 O\n0.797869 0.528742 0.916050 O\n0.297869 0.471258 0.583950 O\n0.202131 0.471258 0.083950 O\n0.063752 0.840521 0.363663 O\n0.436248 0.840521 0.863663 O\n0.936248 0.159479 0.636337 O\n0.563752 0.159479 0.136337 O\n",
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"volume": 416.8787779406196,
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"formula_full": "Sr4 Zn2 H12 O12",
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{
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}