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{
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"structure_string": "Li4 Si12 H108 C36 N8\n1.0\n9.216005 -0.005433 -0.352444\n-4.440597 8.794464 -1.888117\n-0.002344 0.021346 23.107323\nLi Si H C N\n4 12 108 36 8\ndirect\n0.870760 0.948905 0.975079 Li\n0.129240 0.051095 0.024921 Li\n0.519354 0.893155 0.494898 Li\n0.480646 0.106845 0.505102 Li\n0.218149 0.143919 0.907614 Si\n0.781851 0.856081 0.092386 Si\n0.805172 0.839914 0.842087 Si\n0.194828 0.160086 0.157913 Si\n0.013197 0.708242 0.896827 Si\n0.986803 0.291758 0.103173 Si\n0.708247 0.166107 0.409204 Si\n0.291753 0.833893 0.590796 Si\n0.286244 0.816789 0.358839 Si\n0.713756 0.183211 0.641161 Si\n0.581548 0.749575 0.379065 Si\n0.418452 0.250425 0.620935 Si\n0.433232 0.189804 0.989456 H\n0.566768 0.810196 0.010544 H\n0.476755 0.356971 0.963291 H\n0.523245 0.643029 0.036709 H\n0.330071 0.302765 0.012469 H\n0.669929 0.697235 0.987531 H\n0.082389 0.239997 0.839168 H\n0.917611 0.760003 0.160832 H\n0.123460 0.345735 0.913846 H\n0.876540 0.654265 0.086154 H\n0.283893 0.377655 0.869512 H\n0.716107 0.622345 0.130488 H\n0.369608 0.002689 0.861789 H\n0.630392 0.997311 0.138211 H\n0.241439 0.015931 0.805791 H\n0.758561 0.984069 0.194209 H\n0.425701 0.176796 0.839754 H\n0.574299 0.823204 0.160246 H\n0.645391 0.934829 0.909595 H\n0.354609 0.065171 0.090405 H\n0.804763 0.088830 0.886639 H\n0.195237 0.911170 0.113361 H\n0.625554 0.960858 0.836948 H\n0.374446 0.039142 0.163052 H\n0.779180 0.871970 0.739333 H\n0.220820 0.128030 0.260667 H\n0.973755 0.008664 0.777472 H\n0.026245 0.991336 0.222528 H\n0.935283 0.816571 0.750197 H\n0.064717 0.183429 0.249803 H\n0.541956 0.641165 0.788470 H\n0.458044 0.358835 0.211530 H\n0.669787 0.554938 0.799490 H\n0.330213 0.445062 0.200510 H\n0.573247 0.605010 0.859137 H\n0.426753 0.394990 0.140863 H\n0.295843 0.882774 0.949364 H\n0.704157 0.117226 0.050636 H\n0.161951 0.796305 0.999736 H\n0.838049 0.203695 0.000264 H\n0.233737 0.687884 0.950427 H\n0.766263 0.312116 0.049573 H\n0.173136 0.736184 0.810568 H\n0.826864 0.263816 0.189432 H\n0.103389 0.551853 0.825910 H\n0.896611 0.448147 0.174090 H\n0.967617 0.596985 0.786762 H\n0.032383 0.403016 0.213238 H\n0.825578 0.555866 0.960760 H\n0.174422 0.444134 0.039240 H\n0.736655 0.480103 0.884956 H\n0.263345 0.519897 0.115044 H\n0.899191 0.448052 0.911587 H\n0.100809 0.551948 0.088413 H\n0.948905 0.111801 0.389360 H\n0.051095 0.888199 0.610640 H\n0.005009 0.309230 0.405694 H\n0.994991 0.690770 0.594306 H\n0.972187 0.210360 0.463975 H\n0.027813 0.789640 0.536025 H\n0.595829 0.348406 0.448107 H\n0.404171 0.651594 0.551893 H\n0.728046 0.344281 0.505995 H\n0.271954 0.655719 0.494005 H\n0.810586 0.443285 0.450244 H\n0.189414 0.556715 0.549756 H\n0.543569 0.173645 0.321064 H\n0.456431 0.826355 0.678936 H\n0.756247 0.282498 0.322077 H\n0.243753 0.717502 0.677923 H\n0.665413 0.082173 0.296917 H\n0.334587 0.917827 0.703083 H\n0.092401 0.642188 0.415309 H\n0.907599 0.357812 0.584691 H\n0.003221 0.620784 0.342377 H\n0.996779 0.379216 0.657623 H\n0.130144 0.533331 0.353081 H\n0.869856 0.466669 0.646919 H\n0.321232 0.084894 0.385344 H\n0.678768 0.915106 0.614656 H\n0.115937 0.947644 0.358787 H\n0.884063 0.052356 0.641213 H\n0.199272 0.972516 0.432732 H\n0.800728 0.027484 0.567268 H\n0.376573 0.898811 0.264713 H\n0.623427 0.101189 0.735287 H\n0.315832 0.701134 0.256542 H\n0.684168 0.298866 0.743458 H\n0.166142 0.767162 0.254604 H\n0.833858 0.232838 0.745396 H\n0.768354 0.722207 0.309121 H\n0.231646 0.277793 0.690879 H\n0.619128 0.757239 0.272970 H\n0.380872 0.242761 0.727030 H\n0.788163 0.910191 0.321037 H\n0.211837 0.089809 0.678963 H\n0.511689 0.478738 0.348979 H\n0.488311 0.521262 0.651021 H\n0.372818 0.501407 0.396492 H\n0.627182 0.498593 0.603508 H\n0.347562 0.504874 0.320144 H\n0.652438 0.495126 0.679856 H\n0.667870 0.740460 0.482762 H\n0.332130 0.259540 0.517238 H\n0.795646 0.716895 0.431554 H\n0.204354 0.283105 0.568446 H\n0.817381 0.902634 0.460744 H\n0.182619 0.097366 0.539256 H\n0.378301 0.257823 0.974837 C\n0.621699 0.742177 0.025163 C\n0.171030 0.289241 0.879705 C\n0.828970 0.710759 0.120295 C\n0.321667 0.076532 0.848163 C\n0.678333 0.923468 0.151837 C\n0.713909 0.969057 0.872538 C\n0.286091 0.030943 0.127462 C\n0.882081 0.889532 0.770870 C\n0.117919 0.110468 0.229130 C\n0.633065 0.640782 0.820730 C\n0.366935 0.359218 0.179270 C\n0.193673 0.777486 0.954662 C\n0.806327 0.222514 0.045338 C\n0.069383 0.643190 0.822882 C\n0.930617 0.356810 0.177118 C\n0.851374 0.532446 0.915060 C\n0.148626 0.467554 0.084940 C\n0.928152 0.200875 0.417765 C\n0.071848 0.799125 0.582235 C\n0.709028 0.340527 0.458250 C\n0.290972 0.659473 0.541750 C\n0.662132 0.174880 0.329847 C\n0.337868 0.825120 0.670153 C\n0.113799 0.635356 0.368745 C\n0.886201 0.364644 0.631255 C\n0.227288 0.971396 0.386948 C\n0.772712 0.028604 0.613052 C\n0.287671 0.794428 0.276014 C\n0.712329 0.205572 0.723986 C\n0.700251 0.789845 0.314579 C\n0.299749 0.210155 0.685421 C\n0.437678 0.539740 0.359330 C\n0.562322 0.460260 0.640670 C\n0.728379 0.782616 0.445201 C\n0.271621 0.217384 0.554799 C\n0.064356 0.007334 0.935135 N\n0.935644 0.992666 0.064865 N\n0.949491 0.852494 0.898135 N\n0.050509 0.147506 0.101865 N\n0.567812 0.017324 0.435811 N\n0.432188 0.982676 0.564189 N\n0.474432 0.857174 0.399036 N\n0.525568 0.142826 0.600964 N\n",
"nsites": 168,
"nelements": 5,
"elements": [
"Li",
"Si",
"H",
"C",
"N"
],
"chemical_system": "C-H-Li-N-Si",
"density": 0.9027532768025829,
"density_atomic": 0.08971078478535133,
"volume": 1872.6845429116381,
"volume_molar": 6.712839236006039,
"formula_full": "Li4 Si12 H108 C36 N8",
"formula_reduced": "LiSi3H27C9N2",
"formula_anonymous": "AB2C3D9E27",
"energy": -877.44255189,
"energy_per_atom": -5.2228723326785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -874.55455189,
"band_gap": 2.9053,
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"is_magnetic": false,
"total_magnetization": 0.0319358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.911000Z",
"spacegroup": 2
},
{
"id": "mp-1203956",
"created_at": "2022-09-04T14:42:17.974894Z",
"structure_string": "Mn4 Sn4 H64 C24 S12 O44\n1.0\n10.052437 0.000000 0.000000\n0.000000 10.836910 0.000000\n-1.789229 0.000000 16.087479\nMn Sn H C S O\n4 4 64 24 12 44\ndirect\n0.899311 0.727938 0.801637 Mn\n0.100689 0.227938 0.698363 Mn\n0.100689 0.272062 0.198363 Mn\n0.899311 0.772062 0.301637 Mn\n0.314248 0.748453 0.582334 Sn\n0.685752 0.248453 0.917666 Sn\n0.685752 0.251547 0.417666 Sn\n0.314248 0.751547 0.082334 Sn\n0.807626 0.974449 0.822641 H\n0.192374 0.474449 0.677359 H\n0.192374 0.025551 0.177359 H\n0.807626 0.525551 0.322641 H\n0.964518 0.963252 0.850606 H\n0.035482 0.463252 0.649394 H\n0.035482 0.036748 0.149394 H\n0.964518 0.536748 0.350606 H\n0.009734 0.772095 0.962369 H\n0.990266 0.272095 0.537631 H\n0.990266 0.227905 0.037631 H\n0.009734 0.727905 0.462369 H\n0.901773 0.666876 0.976961 H\n0.098227 0.166876 0.523039 H\n0.098227 0.333124 0.023039 H\n0.901773 0.833124 0.476961 H\n0.645422 0.668923 0.861064 H\n0.354578 0.168923 0.638936 H\n0.354578 0.331077 0.138936 H\n0.645422 0.831077 0.361064 H\n0.611950 0.729395 0.772601 H\n0.388050 0.229395 0.727399 H\n0.388050 0.270605 0.227399 H\n0.611950 0.770605 0.272601 H\n0.016863 0.494608 0.780903 H\n0.983137 0.994608 0.719097 H\n0.983137 0.505392 0.219097 H\n0.016863 0.005392 0.280903 H\n0.944649 0.487646 0.863788 H\n0.055351 0.987646 0.636212 H\n0.055351 0.512354 0.136212 H\n0.944649 0.012354 0.363788 H\n0.856183 0.656091 0.632919 H\n0.143817 0.156091 0.867081 H\n0.143817 0.343909 0.367081 H\n0.856183 0.843909 0.132919 H\n0.829984 0.800850 0.629803 H\n0.170016 0.300850 0.870197 H\n0.170016 0.199150 0.370197 H\n0.829984 0.699150 0.129803 H\n0.389938 0.005445 0.405912 H\n0.610062 0.505445 0.094088 H\n0.610062 0.994555 0.594088 H\n0.389938 0.494555 0.905912 H\n0.283503 0.948074 0.776814 H\n0.716497 0.448074 0.723186 H\n0.716497 0.051926 0.223186 H\n0.283503 0.551926 0.276814 H\n0.354191 0.817262 0.831081 H\n0.645809 0.317262 0.668919 H\n0.645809 0.182738 0.168919 H\n0.354191 0.682738 0.331081 H\n0.267637 0.376039 0.520473 H\n0.732363 0.876039 0.979527 H\n0.732363 0.623961 0.479527 H\n0.267637 0.123961 0.020473 H\n0.373324 0.470191 0.465647 H\n0.626676 0.970191 0.034353 H\n0.626676 0.529809 0.534353 H\n0.373324 0.029809 0.965647 H\n0.274435 0.889456 0.366309 H\n0.725565 0.389456 0.133691 H\n0.725565 0.110544 0.633691 H\n0.274435 0.610544 0.866309 H\n0.314855 0.851842 0.769311 C\n0.685145 0.351842 0.730689 C\n0.685145 0.148158 0.230689 C\n0.314855 0.648158 0.269311 C\n0.186975 0.781297 0.741025 C\n0.813025 0.281297 0.758975 C\n0.813025 0.218703 0.258975 C\n0.186975 0.718703 0.241025 C\n0.299366 0.471479 0.511125 C\n0.700634 0.971479 0.988875 C\n0.700634 0.528521 0.488875 C\n0.299366 0.028521 0.011125 C\n0.177015 0.541814 0.472001 C\n0.822985 0.041814 0.027999 C\n0.822985 0.458186 0.527999 C\n0.177015 0.958186 0.972001 C\n0.330822 0.926226 0.423128 C\n0.669178 0.426226 0.076872 C\n0.669178 0.073774 0.576872 C\n0.330822 0.573774 0.923128 C\n0.225870 0.974484 0.476021 C\n0.774130 0.474484 0.023979 C\n0.774130 0.025516 0.523979 C\n0.225870 0.525516 0.976021 C\n0.447995 0.848730 0.701917 S\n0.552005 0.348730 0.798083 S\n0.552005 0.151270 0.298083 S\n0.447995 0.651270 0.201917 S\n0.377987 0.529525 0.610164 S\n0.622013 0.029525 0.889836 S\n0.622013 0.470475 0.389836 S\n0.377987 0.970475 0.110164 S\n0.447551 0.809978 0.468437 S\n0.552449 0.309978 0.031563 S\n0.552449 0.190022 0.531563 S\n0.447551 0.690022 0.968437 S\n0.160572 0.742436 0.665822 O\n0.839428 0.242436 0.834178 O\n0.839428 0.257564 0.334178 O\n0.160572 0.757564 0.165822 O\n0.108187 0.765462 0.795387 O\n0.891813 0.265462 0.704613 O\n0.891813 0.234538 0.204613 O\n0.108187 0.734538 0.295387 O\n0.155872 0.653046 0.496662 O\n0.844128 0.153046 0.003338 O\n0.844128 0.346954 0.503338 O\n0.155872 0.846954 0.996662 O\n0.102217 0.488127 0.415771 O\n0.897783 0.988127 0.084229 O\n0.897783 0.511873 0.584229 O\n0.102217 0.011873 0.915771 O\n0.198789 0.914435 0.541117 O\n0.801211 0.414435 0.958883 O\n0.801211 0.085565 0.458883 O\n0.198789 0.585565 0.041117 O\n0.165367 0.072296 0.452391 O\n0.834633 0.572296 0.047609 O\n0.834633 0.927704 0.547609 O\n0.165367 0.427704 0.952391 O\n0.891471 0.937313 0.806539 O\n0.108529 0.437313 0.693461 O\n0.108529 0.062687 0.193461 O\n0.891471 0.562687 0.306539 O\n0.925064 0.732654 0.937951 O\n0.074936 0.232654 0.562049 O\n0.074936 0.267346 0.062049 O\n0.925064 0.767346 0.437951 O\n0.684752 0.691718 0.810772 O\n0.315248 0.191718 0.689228 O\n0.315248 0.308282 0.189228 O\n0.684752 0.808282 0.310772 O\n0.942901 0.527989 0.809597 O\n0.057099 0.027989 0.690403 O\n0.057099 0.472011 0.190403 O\n0.942901 0.972011 0.309597 O\n0.831529 0.727881 0.666315 O\n0.168471 0.227881 0.833685 O\n0.168471 0.272119 0.333685 O\n0.831529 0.772119 0.166315 O\n",
"nsites": 152,
"nelements": 6,
"elements": [
"Mn",
"Sn",
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-Mn-O-S-Sn",
"density": 2.0239885040995644,
"density_atomic": 0.08673188161692781,
"volume": 1752.5274116771097,
"volume_molar": 6.943399183472383,
"formula_full": "Mn4 Sn4 H64 C24 S12 O44",
"formula_reduced": "MnSnH16C6S3O11",
"formula_anonymous": "ABC3D6E11F16",
"energy": -917.25923379,
"energy_per_atom": -6.034600222302632,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -874.32323379,
"band_gap": 2.7708000000000004,
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"total_magnetization": 20.3612534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.549000Z",
"spacegroup": 14
},
{
"id": "mp-1099952",
"created_at": "2022-09-04T14:45:59.489864Z",
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{
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{
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{
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H\n0.031981 0.347520 0.255742 H\n0.804642 0.714879 0.791176 H\n0.195358 0.285121 0.208824 H\n0.881398 0.612979 0.886279 H\n0.118602 0.387021 0.113721 H\n0.619739 0.221744 0.739179 Rh\n0.380261 0.778256 0.260821 Rh\n0.841510 0.248102 0.797004 Rh\n0.158490 0.751898 0.202996 Rh\n0.365640 0.245830 0.940838 C\n0.634360 0.754170 0.059162 C\n0.707201 0.124333 0.505431 C\n0.292799 0.875667 0.494569 C\n0.771086 0.225525 0.412288 C\n0.228914 0.774475 0.587712 C\n0.481295 0.037175 0.681142 C\n0.518705 0.962825 0.318858 C\n0.553780 0.925374 0.740368 C\n0.446220 0.074626 0.259632 C\n0.459985 0.275317 0.540168 C\n0.540015 0.724683 0.459832 C\n0.426110 0.242073 0.458985 C\n0.573890 0.757927 0.541015 C\n0.001366 0.998749 0.868209 C\n0.998634 0.001251 0.131791 C\n0.087193 0.429601 0.717133 C\n0.912807 0.570399 0.282867 C\n0.092764 0.490564 0.597702 C\n0.907236 0.509436 0.402298 C\n0.948526 0.355435 0.945339 C\n0.051474 0.644565 0.054661 C\n0.827441 0.326521 0.043990 C\n0.172559 0.673479 0.956010 C\n0.821740 0.537987 0.794856 C\n0.178260 0.462013 0.205144 C\n0.872746 0.634051 0.804774 C\n0.127254 0.365949 0.195226 C\n",
"nsites": 164,
"nelements": 5,
"elements": [
"B",
"P",
"H",
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],
"chemical_system": "B-C-H-P-Rh",
"density": 1.3145482493824159,
"density_atomic": 0.09876441289052688,
"volume": 1660.5171356790424,
"volume_molar": 6.097480442348299,
"formula_full": "B32 P4 H96 Rh4 C28",
"formula_reduced": "B8PH24RhC7",
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"energy": -873.38484995,
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"updated_at": "2021-11-28T01:39:21.470000Z",
"spacegroup": 2
},
{
"id": "mp-1076175",
"created_at": "2022-09-04T14:45:14.895319Z",
"structure_string": "Sr16 Ca16 Co28 Cu4 O80\n1.0\n0.000259 -0.007125 10.788740\n11.135277 -0.003691 0.000195\n-5.573055 15.619932 -5.403923\nSr Ca Co Cu O\n16 16 28 4 80\ndirect\n0.306889 0.562033 0.616061 Sr\n0.806476 0.061630 0.609828 Sr\n0.811514 0.562915 0.612626 Sr\n0.192909 0.435433 0.384683 Sr\n0.197606 0.443641 0.887634 Sr\n0.693855 0.435719 0.383205 Sr\n0.692809 0.935894 0.383844 Sr\n0.694156 0.936558 0.890054 Sr\n0.058727 0.297996 0.612995 Sr\n0.062577 0.801658 0.611668 Sr\n0.557286 0.302809 0.613393 Sr\n0.557116 0.804332 0.612414 Sr\n0.438254 0.197488 0.384824 Sr\n0.444831 0.196120 0.886869 Sr\n0.945949 0.196053 0.384306 Sr\n0.945333 0.202234 0.889838 Sr\n0.307639 0.067748 0.109414 Ca\n0.304741 0.056745 0.604484 Ca\n0.305583 0.569867 0.111983 Ca\n0.796726 0.064430 0.107313 Ca\n0.802923 0.566590 0.111768 Ca\n0.199264 0.932452 0.389747 Ca\n0.204559 0.933212 0.895626 Ca\n0.693957 0.440294 0.893898 Ca\n0.050318 0.292427 0.110052 Ca\n0.054395 0.794482 0.110977 Ca\n0.551504 0.287951 0.107117 Ca\n0.554147 0.792755 0.107775 Ca\n0.442620 0.708877 0.389677 Ca\n0.446880 0.705229 0.892968 Ca\n0.952130 0.704893 0.389144 Ca\n0.952106 0.711899 0.896461 Ca\n0.009342 0.004000 0.006635 Co\n0.004054 0.997633 0.496290 Co\n0.007021 0.503905 0.009628 Co\n0.004468 0.500828 0.502947 Co\n0.504934 0.998862 0.001759 Co\n0.501302 0.000262 0.497697 Co\n0.506340 0.499750 0.001689 Co\n0.502142 0.500304 0.503512 Co\n0.259315 0.254218 0.007808 Co\n0.254676 0.249893 0.506119 Co\n0.255964 0.751944 0.002056 Co\n0.255130 0.749874 0.500687 Co\n0.756545 0.254818 0.008244 Co\n0.749015 0.246840 0.493309 Co\n0.755204 0.749784 0.000885 Co\n0.751494 0.747589 0.493034 Co\n0.105127 0.086304 0.244179 Co\n0.115437 0.091817 0.753377 Co\n0.106495 0.595919 0.247110 Co\n0.604874 0.087220 0.243183 Co\n0.610493 0.099392 0.749863 Co\n0.606510 0.592962 0.245991 Co\n0.356340 0.410183 0.246309 Co\n0.352723 0.900206 0.245456 Co\n0.856238 0.407056 0.245469 Co\n0.858885 0.420587 0.757939 Co\n0.859649 0.898748 0.243576 Co\n0.868074 0.903985 0.752571 Co\n0.112862 0.605728 0.753495 Cu\n0.614434 0.607827 0.754462 Cu\n0.369498 0.406666 0.753337 Cu\n0.357877 0.903677 0.752776 Cu\n0.127943 0.119792 0.491148 O\n0.131391 0.133031 0.995144 O\n0.123210 0.623102 0.487046 O\n0.129927 0.634238 0.995751 O\n0.622313 0.127158 0.492552 O\n0.626007 0.126058 0.995315 O\n0.629984 0.630036 0.490555 O\n0.632924 0.626926 0.992590 O\n0.131515 0.392344 0.017969 O\n0.124662 0.380695 0.505365 O\n0.132458 0.889684 0.012689 O\n0.131605 0.876165 0.501155 O\n0.630812 0.388150 0.015327 O\n0.625455 0.382173 0.502734 O\n0.632507 0.882208 0.015481 O\n0.627770 0.877731 0.502579 O\n0.366408 0.111043 0.487919 O\n0.372899 0.111269 0.992265 O\n0.380827 0.617960 0.491230 O\n0.384960 0.616126 0.995241 O\n0.872760 0.117801 0.492506 O\n0.881822 0.113499 0.996550 O\n0.880457 0.614242 0.488213 O\n0.882079 0.610926 0.989871 O\n0.379653 0.378638 0.015820 O\n0.373341 0.374889 0.505704 O\n0.381399 0.875117 0.013106 O\n0.379592 0.876824 0.504494 O\n0.881065 0.383915 0.015166 O\n0.874920 0.375234 0.504290 O\n0.883776 0.872810 0.013486 O\n0.878323 0.868781 0.501123 O\n0.094881 0.101089 0.140311 O\n0.094333 0.085145 0.644186 O\n0.087359 0.607712 0.141371 O\n0.068532 0.585005 0.635394 O\n0.584098 0.099001 0.138381 O\n0.581195 0.092313 0.640905 O\n0.588667 0.606743 0.142085 O\n0.575239 0.584328 0.637394 O\n0.432569 0.407389 0.353921 O\n0.451513 0.409639 0.867735 O\n0.433933 0.899821 0.353691 O\n0.438917 0.904405 0.867849 O\n0.932589 0.403692 0.352419 O\n0.949364 0.400742 0.857808 O\n0.940741 0.900983 0.352632 O\n0.948740 0.900768 0.861160 O\n0.344257 0.289696 0.142607 O\n0.330220 0.291641 0.638376 O\n0.335382 0.787456 0.139723 O\n0.322591 0.798810 0.636748 O\n0.843449 0.287862 0.142349 O\n0.840918 0.307793 0.653323 O\n0.841609 0.782613 0.138521 O\n0.833726 0.800013 0.642352 O\n0.180430 0.196286 0.351079 O\n0.192244 0.209411 0.859179 O\n0.194263 0.701827 0.354540 O\n0.198450 0.707135 0.869300 O\n0.682892 0.193522 0.352201 O\n0.683074 0.211868 0.857399 O\n0.695677 0.695207 0.355859 O\n0.700453 0.704880 0.867826 O\n0.424446 0.055753 0.239943 O\n0.435937 0.054103 0.742385 O\n0.426110 0.572578 0.248238 O\n0.446948 0.569913 0.760946 O\n0.923081 0.056242 0.236922 O\n0.939031 0.061734 0.751150 O\n0.926510 0.570474 0.247720 O\n0.927010 0.575496 0.761886 O\n0.173705 0.432793 0.238906 O\n0.198270 0.454153 0.749790 O\n0.173412 0.925797 0.246957 O\n0.184843 0.935795 0.762011 O\n0.672472 0.429052 0.236866 O\n0.693279 0.438358 0.760516 O\n0.678333 0.927233 0.238706 O\n0.693302 0.946029 0.754016 O\n",
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"elements": [
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"Co",
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"O"
],
"chemical_system": "Ca-Co-Cu-O-Sr",
"density": 4.627403085952374,
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"volume": 1875.8593788238113,
"volume_molar": 7.844923073085524,
"formula_full": "Sr16 Ca16 Co28 Cu4 O80",
"formula_reduced": "Sr4Ca4Co7CuO20",
"formula_anonymous": "AB4C4D7E20",
"energy": -973.93355894,
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"updated_at": "2021-11-28T01:36:54.658000Z",
"spacegroup": 1
}
]
}