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{
"id": "mp-1246405",
"created_at": "2022-09-04T14:43:51.564990Z",
"structure_string": "Sr24 Sb48 N96\n1.0\n19.787323 0.000057 0.000000\n-9.893612 17.136364 0.000000\n0.000000 0.000000 8.905593\nSr Sb N\n24 48 96\ndirect\n0.999983 0.999984 0.323060 Sr\n0.000017 0.000016 0.823060 Sr\n0.329200 0.153359 0.306295 Sr\n0.824160 0.670801 0.306302 Sr\n0.846643 0.175840 0.306294 Sr\n0.670800 0.846641 0.806295 Sr\n0.175840 0.329199 0.806302 Sr\n0.153357 0.824160 0.806294 Sr\n0.129637 0.329741 0.303780 Sr\n0.200100 0.870368 0.303768 Sr\n0.670278 0.799911 0.303752 Sr\n0.870363 0.670259 0.803780 Sr\n0.799900 0.129632 0.803768 Sr\n0.329722 0.200089 0.803752 Sr\n0.666655 0.333339 0.321725 Sr\n0.333345 0.666661 0.821725 Sr\n0.666670 0.333337 0.815304 Sr\n0.333330 0.666663 0.315304 Sr\n0.475650 0.468826 0.816456 Sr\n0.993171 0.524348 0.816449 Sr\n0.531176 0.006829 0.816456 Sr\n0.524350 0.531174 0.316456 Sr\n0.006829 0.475652 0.316449 Sr\n0.468824 0.993171 0.316456 Sr\n0.986237 0.151612 0.598627 Sb\n0.165371 0.013764 0.598631 Sb\n0.848387 0.834628 0.598631 Sb\n0.013763 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0.035459 Sb\n0.309505 0.486521 0.141429 Sb\n0.177019 0.690497 0.141426 Sb\n0.513482 0.822984 0.141437 Sb\n0.690495 0.513479 0.641429 Sb\n0.822981 0.309503 0.641426 Sb\n0.486518 0.177016 0.641437 Sb\n0.322757 0.500936 0.532699 Sb\n0.178178 0.677245 0.532696 Sb\n0.499067 0.821823 0.532701 Sb\n0.677243 0.499064 0.032699 Sb\n0.821822 0.322755 0.032696 Sb\n0.500933 0.178177 0.032701 Sb\n0.606589 0.382495 0.028976 N\n0.775910 0.393412 0.028966 N\n0.617502 0.224089 0.028958 N\n0.393411 0.617505 0.528976 N\n0.224090 0.606588 0.528966 N\n0.382498 0.775911 0.528958 N\n0.203796 0.104689 0.458439 N\n0.900895 0.796230 0.458397 N\n0.895320 0.099106 0.458422 N\n0.796204 0.895311 0.958439 N\n0.099105 0.203770 0.958397 N\n0.104680 0.900894 0.958422 N\n0.057101 0.106061 0.592788 N\n0.048958 0.942899 0.592802 N\n0.893933 0.951042 0.592842 N\n0.942899 0.893939 0.092788 N\n0.951042 0.057101 0.092802 N\n0.106067 0.048958 0.092842 N\n0.263471 0.214424 0.034427 N\n0.950958 0.736532 0.034426 N\n0.785577 0.049042 0.034429 N\n0.736529 0.785576 0.534427 N\n0.049042 0.263468 0.534426 N\n0.214423 0.950958 0.534429 N\n0.234187 0.271436 0.618967 N\n0.037238 0.765810 0.618974 N\n0.728567 0.962758 0.618977 N\n0.765813 0.728564 0.118967 N\n0.962762 0.234190 0.118974 N\n0.271433 0.037242 0.118977 N\n0.559426 0.283132 0.553953 N\n0.723704 0.440573 0.553929 N\n0.716865 0.276297 0.553936 N\n0.440574 0.716868 0.053953 N\n0.276296 0.559427 0.053929 N\n0.283135 0.723703 0.053936 N\n0.133102 0.202210 0.295749 N\n0.069107 0.866914 0.295756 N\n0.797830 0.930893 0.295768 N\n0.866898 0.797790 0.795749 N\n0.930893 0.133086 0.795756 N\n0.202170 0.069107 0.795768 N\n0.411202 0.312555 0.630207 N\n0.901347 0.588795 0.630194 N\n0.687447 0.098653 0.630195 N\n0.588798 0.687445 0.130207 N\n0.098653 0.411205 0.130194 N\n0.312553 0.901347 0.130195 N\n0.390091 0.452281 0.568017 N\n0.062190 0.609912 0.568021 N\n0.547720 0.937811 0.568024 N\n0.609909 0.547719 0.068017 N\n0.937810 0.390088 0.068021 N\n0.452280 0.062189 0.068024 N\n0.430415 0.364215 0.017079 N\n0.933796 0.569589 0.017066 N\n0.635792 0.066202 0.017070 N\n0.569585 0.635785 0.517079 N\n0.066204 0.430411 0.517066 N\n0.364208 0.933798 0.517070 N\n0.539970 0.405985 0.330831 N\n0.866031 0.460045 0.330822 N\n0.594015 0.133970 0.330821 N\n0.460030 0.594015 0.830831 N\n0.133969 0.539955 0.830822 N\n0.405985 0.866030 0.830821 N\n0.271279 0.381247 0.041784 N\n0.109968 0.728720 0.041776 N\n0.618756 0.890030 0.041788 N\n0.728721 0.618753 0.541784 N\n0.890032 0.271280 0.541776 N\n0.381244 0.109970 0.541788 N\n0.877088 0.424768 0.663743 N\n0.547675 0.122906 0.663737 N\n0.575230 0.452322 0.663750 N\n0.122912 0.575232 0.163743 N\n0.452325 0.877094 0.163737 N\n0.424770 0.547678 0.163750 N\n0.260698 0.456160 0.345468 N\n0.195454 0.739303 0.345466 N\n0.543858 0.804554 0.345476 N\n0.739302 0.543840 0.845468 N\n0.804546 0.260697 0.845466 N\n0.456142 0.195446 0.845476 N\n0.340712 0.294833 0.319926 N\n0.954127 0.659303 0.319924 N\n0.705182 0.045867 0.319927 N\n0.659288 0.705167 0.819926 N\n0.045873 0.340697 0.819924 N\n0.294818 0.954133 0.819927 N\n0.238016 0.468913 0.688207 N\n0.230895 0.761987 0.688201 N\n0.531083 0.769103 0.688218 N\n0.761984 0.531087 0.188207 N\n0.769105 0.238013 0.188201 N\n0.468917 0.230897 0.188218 N\n",
"nsites": 168,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"N"
],
"chemical_system": "N-Sb-Sr",
"density": 5.109626563306252,
"density_atomic": 0.05563396263349373,
"volume": 3019.738160784141,
"volume_molar": 10.824576346777151,
"formula_full": "Sr24 Sb48 N96",
"formula_reduced": "Sr(SbN2)2",
"formula_anonymous": "AB2C4",
"energy": -1049.44424559,
"energy_per_atom": -6.246691938035714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1014.78824559,
"band_gap": 1.1401999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0369577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.535000Z",
"spacegroup": 173
},
{
"id": "mp-667377",
"created_at": "2022-09-04T14:43:51.868107Z",
"structure_string": "Si56 O112\n1.0\n4.244734 -12.530545 0.000000\n4.244734 12.530545 0.000000\n0.000000 0.000000 29.206762\nSi O\n56 112\ndirect\n0.418355 0.957208 0.549722 Si\n0.840062 0.793927 0.606261 Si\n0.201780 0.426067 0.454068 Si\n0.042792 0.581645 0.549722 Si\n0.340062 0.293927 0.893739 Si\n0.918355 0.457208 0.950278 Si\n0.263847 0.107982 0.051001 Si\n0.641428 0.992490 0.605950 Si\n0.926067 0.701780 0.954068 Si\n0.392018 0.236153 0.448999 Si\n0.858572 0.507510 0.105950 Si\n0.962014 0.676390 0.200350 Si\n0.507510 0.858572 0.894050 Si\n0.194774 0.167005 0.200296 Si\n0.892018 0.736153 0.051001 Si\n0.537986 0.823610 0.700350 Si\n0.793927 0.840062 0.393739 Si\n0.107982 0.263847 0.948999 Si\n0.176390 0.462014 0.700350 Si\n0.805226 0.832995 0.799704 Si\n0.798220 0.573933 0.545932 Si\n0.206073 0.159938 0.606261 Si\n0.426067 0.201780 0.545932 Si\n0.659938 0.706073 0.106261 Si\n0.457208 0.918355 0.049722 Si\n0.823610 0.537986 0.299650 Si\n0.293927 0.340062 0.106261 Si\n0.706073 0.659938 0.893739 Si\n0.992490 0.641428 0.394050 Si\n0.332995 0.305226 0.299704 Si\n0.701780 0.926067 0.045932 Si\n0.607982 0.763847 0.551001 Si\n0.159938 0.206073 0.393739 Si\n0.581645 0.042792 0.450278 Si\n0.694774 0.667005 0.299704 Si\n0.236153 0.392018 0.551001 Si\n0.542792 0.081645 0.950278 Si\n0.007510 0.358572 0.605950 Si\n0.167005 0.194774 0.799704 Si\n0.573933 0.798220 0.454068 Si\n0.081645 0.542792 0.049722 Si\n0.736153 0.892018 0.948999 Si\n0.323610 0.037986 0.200350 Si\n0.462014 0.176390 0.299650 Si\n0.073933 0.298220 0.045932 Si\n0.957208 0.418355 0.450278 Si\n0.037986 0.323610 0.799650 Si\n0.676390 0.962014 0.799650 Si\n0.763847 0.607982 0.448999 Si\n0.298220 0.073933 0.954068 Si\n0.141428 0.492490 0.894050 Si\n0.358572 0.007510 0.394050 Si\n0.667005 0.694774 0.700296 Si\n0.832995 0.805226 0.200296 Si\n0.305226 0.332995 0.700296 Si\n0.492490 0.141428 0.105950 Si\n0.108181 0.264998 0.805312 O\n0.042226 0.382871 0.660834 O\n0.759280 0.240720 0.446312 O\n0.699786 0.726492 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O\n0.542226 0.882871 0.839166 O\n0.277388 0.133822 0.911104 O\n0.773508 0.800214 0.339378 O\n0.957774 0.617129 0.339166 O\n0.986438 0.458446 0.589779 O\n0.063038 0.936962 0.046453 O\n0.089997 0.410003 0.750000 O\n0.436962 0.563038 0.546453 O\n0.754850 0.693014 0.077737 O\n",
"nsites": 168,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "O-Si",
"density": 1.79830885388452,
"density_atomic": 0.05407237357407519,
"volume": 3106.947021104082,
"volume_molar": 11.137185889852068,
"formula_full": "Si56 O112",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -1404.51093211,
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"band_gap": 5.3943,
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"total_magnetization": 8.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.308000Z",
"spacegroup": 64
},
{
"id": "mp-653633",
"created_at": "2022-09-04T14:43:18.120425Z",
"structure_string": "K48 Zn24 Cl96\n1.0\n12.614980 7.418799 0.000000\n-12.614980 7.418799 0.000000\n0.000000 0.043214 27.298883\nK Zn Cl\n48 24 96\ndirect\n0.893340 0.330361 0.330242 K\n0.394582 0.831143 0.334386 K\n0.865819 0.931456 0.000744 K\n0.344280 0.912067 0.164851 K\n0.033931 0.194410 0.209375 K\n0.434527 0.871727 0.998547 K\n0.336600 0.399297 0.667711 K\n0.435995 0.377705 0.502268 K\n0.555144 0.211801 0.620280 K\n0.912067 0.344280 0.664851 K\n0.838972 0.899010 0.334751 K\n0.871727 0.434527 0.498547 K\n0.055641 0.734452 0.619431 K\n0.399297 0.336600 0.167711 K\n0.574399 0.745121 0.543349 K\n0.831143 0.394582 0.834386 K\n0.369356 0.931887 0.500412 K\n0.330361 0.893340 0.830242 K\n0.745121 0.574399 0.043349 K\n0.221607 0.541344 0.457495 K\n0.050075 0.213554 0.542733 K\n0.219273 0.063569 0.380774 K\n0.521656 0.191601 0.291206 K\n0.701947 0.525572 0.710309 K\n0.828448 0.892494 0.669941 K\n0.063569 0.219273 0.880774 K\n0.525572 0.701947 0.210309 K\n0.740564 0.077590 0.456316 K\n0.191601 0.521656 0.791206 K\n0.734452 0.055641 0.119431 K\n0.541344 0.221607 0.957495 K\n0.829777 0.395205 0.168316 K\n0.931456 0.865819 0.500744 K\n0.077590 0.740564 0.956316 K\n0.338434 0.408209 0.333709 K\n0.720028 0.545861 0.380135 K\n0.899010 0.838972 0.834751 K\n0.211801 0.555144 0.120280 K\n0.194410 0.033931 0.709375 K\n0.892494 0.828448 0.169941 K\n0.377705 0.435995 0.002268 K\n0.213554 0.050075 0.042733 K\n0.408209 0.338434 0.833709 K\n0.036711 0.702548 0.289786 K\n0.702548 0.036711 0.789786 K\n0.395205 0.829777 0.668316 K\n0.931887 0.369356 0.000412 K\n0.545861 0.720028 0.880135 K\n0.205115 0.040095 0.240547 Zn\n0.705789 0.035230 0.260381 Zn\n0.058934 0.723410 0.096561 Zn\n0.703311 0.537124 0.241783 Zn\n0.713423 0.050144 0.928375 Zn\n0.050272 0.213062 0.071235 Zn\n0.224466 0.055757 0.903931 Zn\n0.731164 0.564829 0.905453 Zn\n0.040095 0.205115 0.740547 Zn\n0.538559 0.213759 0.428865 Zn\n0.055757 0.224466 0.403931 Zn\n0.213062 0.050272 0.571235 Zn\n0.564829 0.731164 0.405453 Zn\n0.200239 0.537732 0.258340 Zn\n0.050144 0.713423 0.428375 Zn\n0.723410 0.058934 0.596561 Zn\n0.213759 0.538559 0.928865 Zn\n0.537124 0.703311 0.741783 Zn\n0.542170 0.716690 0.073430 Zn\n0.716690 0.542170 0.573430 Zn\n0.537732 0.200239 0.758340 Zn\n0.228194 0.561062 0.594753 Zn\n0.561062 0.228194 0.094753 Zn\n0.035230 0.705789 0.760381 Zn\n0.990152 0.535349 0.748142 Cl\n0.829337 0.016129 0.886534 Cl\n0.981659 0.312115 0.442636 Cl\n0.524901 0.348699 0.057736 Cl\n0.186654 0.993037 0.492834 Cl\n0.318592 0.003087 0.613469 Cl\n0.312115 0.981659 0.942636 Cl\n0.443711 0.067861 0.063820 Cl\n0.760443 0.569181 0.824234 Cl\n0.030274 0.494133 0.244116 Cl\n0.188311 0.489002 0.008266 Cl\n0.306683 0.200638 0.277829 Cl\n0.243926 0.564233 0.338578 Cl\n0.843870 0.523270 0.946285 Cl\n0.219403 0.286521 0.437023 Cl\n0.440772 0.559208 0.112955 Cl\n0.931499 0.253705 0.779548 Cl\n0.755644 0.064978 0.339955 Cl\n0.424212 0.242285 0.719467 Cl\n0.221271 0.755858 0.422462 Cl\n0.067861 0.443711 0.563820 Cl\n0.053585 0.439207 0.891191 Cl\n0.958932 0.550815 0.078213 Cl\n0.200638 0.306683 0.777829 Cl\n0.813238 0.192935 0.221741 Cl\n0.222261 0.773978 0.064992 Cl\n0.569181 0.760443 0.324234 Cl\n0.417052 0.737695 0.780081 Cl\n0.505621 0.835003 0.112156 Cl\n0.034089 0.989512 0.255907 Cl\n0.991370 0.686502 0.506765 Cl\n0.563737 0.450227 0.927908 Cl\n0.523270 0.843870 0.446285 Cl\n0.244139 0.559725 0.676953 Cl\n0.050551 0.957043 0.609391 Cl\n0.003087 0.318592 0.113469 Cl\n0.949372 0.555179 0.388842 Cl\n0.766240 0.073760 0.676383 Cl\n0.054594 0.959305 0.928121 Cl\n0.269766 0.711068 0.915616 Cl\n0.991602 0.813119 0.052896 Cl\n0.737695 0.417052 0.280081 Cl\n0.555179 0.949372 0.888842 Cl\n0.755858 0.221271 0.922462 Cl\n0.016129 0.829337 0.386534 Cl\n0.686502 0.991370 0.006765 Cl\n0.993037 0.186654 0.992834 Cl\n0.325059 0.494676 0.888609 Cl\n0.559208 0.440772 0.612955 Cl\n0.242285 0.424212 0.219467 Cl\n0.265604 0.223172 0.580002 Cl\n0.286521 0.219403 0.937023 Cl\n0.562506 0.749306 0.661697 Cl\n0.259722 0.723509 0.570318 Cl\n0.835003 0.505621 0.612156 Cl\n0.223172 0.265604 0.080002 Cl\n0.726142 0.761460 0.431501 Cl\n0.761460 0.726142 0.931501 Cl\n0.064978 0.755644 0.839955 Cl\n0.489002 0.188311 0.508266 Cl\n0.714957 0.768203 0.084056 Cl\n0.812788 0.693337 0.280253 Cl\n0.920664 0.745795 0.720350 Cl\n0.067491 0.248358 0.660341 Cl\n0.490980 0.688479 0.994063 Cl\n0.450227 0.563737 0.427908 Cl\n0.534226 0.497032 0.254722 Cl\n0.957043 0.050551 0.109391 Cl\n0.248358 0.067491 0.160341 Cl\n0.535349 0.990152 0.248142 Cl\n0.304993 0.698048 0.220955 Cl\n0.494133 0.030274 0.744116 Cl\n0.745795 0.920664 0.220350 Cl\n0.723509 0.259722 0.070318 Cl\n0.813119 0.991602 0.552896 Cl\n0.192935 0.813238 0.721741 Cl\n0.698048 0.304993 0.720955 Cl\n0.773978 0.222261 0.564992 Cl\n0.069879 0.256770 0.323266 Cl\n0.439207 0.053585 0.391191 Cl\n0.497032 0.534226 0.754722 Cl\n0.073760 0.766240 0.176383 Cl\n0.253705 0.931499 0.279548 Cl\n0.256770 0.069879 0.823266 Cl\n0.688479 0.490980 0.494063 Cl\n0.749306 0.562506 0.161697 Cl\n0.559725 0.244139 0.176953 Cl\n0.693337 0.812788 0.780253 Cl\n0.564233 0.243926 0.838578 Cl\n0.768203 0.714957 0.584056 Cl\n0.550815 0.958932 0.578213 Cl\n0.989512 0.034089 0.755907 Cl\n0.494676 0.325059 0.388609 Cl\n0.711068 0.269766 0.415616 Cl\n0.348699 0.524901 0.557736 Cl\n0.959305 0.054594 0.428121 Cl\n",
"nsites": 168,
"nelements": 3,
"elements": [
"K",
"Zn",
"Cl"
],
"chemical_system": "Cl-K-Zn",
"density": 2.226107050819779,
"density_atomic": 0.03287866973882686,
"volume": 5109.695779498237,
"volume_molar": 18.316254300545424,
"formula_full": "K48 Zn24 Cl96",
"formula_reduced": "K2ZnCl4",
"formula_anonymous": "AB2C4",
"energy": -596.89455518,
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"band_gap": 4.546799999999999,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.575000Z",
"spacegroup": 9
},
{
"id": "mp-1204558",
"created_at": "2022-09-04T14:43:20.443489Z",
"structure_string": "Bi4 Ru20 C72 O72\n1.0\n11.664139 -0.002798 0.068432\n2.811609 15.885379 4.796122\n0.013332 0.011850 18.005778\nBi Ru C O\n4 20 72 72\ndirect\n0.612931 0.787266 0.243197 Bi\n0.387069 0.212734 0.756803 Bi\n0.997111 0.765600 0.752517 Bi\n0.002889 0.234400 0.247483 Bi\n0.756871 0.886612 0.143626 Ru\n0.243129 0.113388 0.856374 Ru\n0.832829 0.699292 0.219279 Ru\n0.167171 0.300708 0.780721 Ru\n0.501420 0.819444 0.371147 Ru\n0.498580 0.180556 0.628853 Ru\n0.375616 0.797906 0.228344 Ru\n0.624384 0.202094 0.771656 Ru\n0.396164 0.668623 0.378667 Ru\n0.603836 0.331377 0.621333 Ru\n0.807702 0.873305 0.656844 Ru\n0.192298 0.126695 0.343156 Ru\n0.819882 0.683421 0.717910 Ru\n0.180118 0.316579 0.282090 Ru\n0.092537 0.787981 0.884137 Ru\n0.907463 0.212019 0.115863 Ru\n0.228619 0.781436 0.736339 Ru\n0.771381 0.218564 0.263661 Ru\n0.280329 0.645904 0.884817 Ru\n0.719671 0.354096 0.115183 Ru\n0.652563 0.991403 0.122641 C\n0.347437 0.008597 0.877359 C\n0.896351 0.904314 0.086679 C\n0.103649 0.095686 0.913321 C\n0.684725 0.859138 0.058697 C\n0.315275 0.140862 0.941303 C\n0.819715 0.909390 0.233960 C\n0.180285 0.090610 0.766040 C\n0.849817 0.584142 0.279151 C\n0.150183 0.415858 0.720849 C\n0.978497 0.706002 0.168082 C\n0.021503 0.293998 0.831918 C\n0.889532 0.725305 0.309818 C\n0.110468 0.274695 0.690182 C\n0.755845 0.670496 0.136781 C\n0.244155 0.329504 0.863219 C\n0.397890 0.843650 0.447957 C\n0.602110 0.156350 0.552043 C\n0.554871 0.924306 0.345621 C\n0.445129 0.075694 0.654379 C\n0.623918 0.753334 0.438357 C\n0.376082 0.246666 0.561643 C\n0.212491 0.814759 0.244351 C\n0.787509 0.185241 0.755649 C\n0.368577 0.894444 0.140804 C\n0.631423 0.105556 0.859196 C\n0.378638 0.718555 0.173697 C\n0.621362 0.281445 0.826303 C\n0.259639 0.731275 0.411965 C\n0.740361 0.268725 0.588035 C\n0.524379 0.611053 0.333767 C\n0.475621 0.388947 0.666233 C\n0.304060 0.592960 0.357560 C\n0.695940 0.407040 0.642440 C\n0.454758 0.614530 0.483422 C\n0.545242 0.385470 0.516578 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C\n0.724990 0.424294 0.011046 C\n0.405718 0.583391 0.844088 C\n0.594282 0.416609 0.155912 C\n0.590495 0.055474 0.110792 O\n0.409505 0.944526 0.889208 O\n0.979186 0.915443 0.052329 O\n0.020814 0.084557 0.947671 O\n0.641664 0.845836 0.006987 O\n0.358336 0.154164 0.993013 O\n0.854573 0.927552 0.285670 O\n0.145427 0.072448 0.714330 O\n0.865230 0.513786 0.314445 O\n0.134770 0.486214 0.685555 O\n0.067377 0.708183 0.139439 O\n0.932623 0.291817 0.860561 O\n0.923828 0.735244 0.365961 O\n0.076172 0.264756 0.634039 O\n0.710915 0.648043 0.091418 O\n0.289085 0.351957 0.908582 O\n0.344406 0.860986 0.497591 O\n0.655594 0.139014 0.502409 O\n0.586122 0.988981 0.331383 O\n0.413878 0.011019 0.668617 O\n0.699961 0.714207 0.482337 O\n0.300039 0.285793 0.517663 O\n0.111265 0.825933 0.245374 O\n0.888735 0.174067 0.754626 O\n0.360388 0.953099 0.086689 O\n0.639612 0.046901 0.913311 O\n0.379189 0.669224 0.139658 O\n0.620811 0.330776 0.860342 O\n0.175061 0.759967 0.435608 O\n0.824939 0.240033 0.564392 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O\n0.722465 0.336940 0.363557 O\n0.453463 0.738717 0.942531 O\n0.546537 0.261283 0.057469 O\n0.106178 0.545730 0.841435 O\n0.893822 0.454270 0.158565 O\n0.271846 0.529938 0.050553 O\n0.728154 0.470062 0.949447 O\n0.481676 0.545066 0.820179 O\n0.518324 0.454934 0.179821 O\n",
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"elements": [
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],
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"density": 2.426309989264328,
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"volume": 3335.74377582679,
"volume_molar": 11.957332474596914,
"formula_full": "Bi4 Ru20 C72 O72",
"formula_reduced": "BiRu5(CO)18",
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"energy": -1373.4697982700002,
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"updated_at": "2021-11-28T01:36:12.650000Z",
"spacegroup": 2
},
{
"id": "mp-1201038",
"created_at": "2022-09-04T14:40:31.167918Z",
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"updated_at": "2021-11-28T01:34:58.045000Z",
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},
{
"id": "mp-759776",
"created_at": "2022-09-04T14:41:35.530409Z",
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Cu\n0.315488 0.657297 0.755880 Cu\n0.342703 0.658191 0.089213 Cu\n0.341809 0.684512 0.422546 Cu\n0.180724 0.294936 0.602464 Cu\n0.239899 0.363145 0.927216 Cu\n0.226900 0.323140 0.255844 Cu\n0.636855 0.876755 0.260549 Cu\n0.676860 0.903760 0.589177 Cu\n0.294936 0.114212 0.435797 Cu\n0.705064 0.885788 0.935797 Cu\n0.323140 0.096240 0.089177 Cu\n0.363145 0.123245 0.760549 Cu\n0.773100 0.676860 0.755844 Cu\n0.760101 0.636855 0.427216 Cu\n0.819276 0.705064 0.102464 Cu\n0.658191 0.315488 0.922546 Cu\n0.657297 0.341809 0.589213 Cu\n0.684512 0.342703 0.255880 Cu\n0.876755 0.239899 0.093883 Cu\n0.903760 0.226900 0.422511 Cu\n0.885788 0.180724 0.769130 Cu\n0.095526 0.790357 0.790594 P\n0.080121 0.759972 0.465231 P\n0.135181 0.773952 0.138123 P\n0.291224 0.650356 0.296333 P\n0.359132 0.708776 0.963000 P\n0.349644 0.640868 0.629667 P\n0.226048 0.361229 0.471456 P\n0.209643 0.305170 0.123928 P\n0.240028 0.320150 0.798564 P\n0.638771 0.864819 0.804790 P\n0.679850 0.919879 0.131898 P\n0.694830 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},
{
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{
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{
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{
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C\n0.040602 0.953712 0.372209 C\n0.079370 0.814602 0.260970 C\n0.121079 0.257402 0.544002 C\n0.572578 0.992133 0.288363 C\n0.757402 0.621079 0.044002 C\n0.242598 0.378921 0.955998 C\n0.492133 0.072578 0.788363 C\n0.072578 0.788363 0.492133 C\n",
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},
{
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{
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"created_at": "2022-09-04T14:41:25.474496Z",
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}
]
}