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{
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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 0.848388 0.098627 Sb\n0.834629 0.986236 0.098631 Sb\n0.151613 0.165372 0.098631 Sb\n0.161106 0.175603 0.495007 Sb\n0.014493 0.838895 0.495010 Sb\n0.824400 0.985507 0.495024 Sb\n0.838894 0.824397 0.995007 Sb\n0.985507 0.161105 0.995010 Sb\n0.175600 0.014493 0.995024 Sb\n0.338599 0.337730 0.518693 Sb\n0.999128 0.661401 0.518692 Sb\n0.662270 0.000871 0.518693 Sb\n0.661401 0.662270 0.018693 Sb\n0.000872 0.338599 0.018692 Sb\n0.337730 0.999129 0.018693 Sb\n0.325432 0.323342 0.114081 Sb\n0.997913 0.674569 0.114079 Sb\n0.676658 0.002087 0.114079 Sb\n0.674568 0.676658 0.614081 Sb\n0.002087 0.325431 0.614079 Sb\n0.323342 0.997913 0.614079 Sb\n0.504579 0.343178 0.139079 Sb\n0.838599 0.495420 0.139071 Sb\n0.656822 0.161402 0.139069 Sb\n0.495421 0.656822 0.639079 Sb\n0.161401 0.504580 0.639071 Sb\n0.343178 0.838598 0.639069 Sb\n0.516875 0.356822 0.535470 Sb\n0.839944 0.483122 0.535456 Sb\n0.643177 0.160057 0.535459 Sb\n0.483125 0.643178 0.035470 Sb\n0.160056 0.516878 0.035456 Sb\n0.356823 0.839943 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,
"formation_energy_per_atom": null,
"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-1204254",
"created_at": "2022-09-04T14:39:18.514006Z",
"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,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0319358,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.911000Z",
"spacegroup": 2
},
{
"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 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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",
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"elements": [
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"density": 2.226107050819779,
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"updated_at": "2021-11-28T01:36:10.575000Z",
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},
{
"id": "mp-23274",
"created_at": "2022-09-04T14:48:28.933427Z",
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"updated_at": "2021-11-28T01:39:42.020000Z",
"spacegroup": 230
},
{
"id": "mp-1096979",
"created_at": "2022-09-04T14:42:19.038942Z",
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},
{
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"created_at": "2022-09-04T14:39:29.143781Z",
"structure_string": "Ca24 Al8 Cd136\n1.0\n11.199472 -11.208200 0.000000\n11.199472 11.208200 0.000000\n-0.017464 0.000000 15.844609\nCa Al Cd\n24 8 136\ndirect\n0.198836 0.497885 0.310660 Ca\n0.801021 0.501172 0.313979 Ca\n0.501112 0.689599 0.201713 Ca\n0.689599 0.201713 0.501112 Ca\n0.803569 0.502102 0.690603 Ca\n0.502102 0.690603 0.803569 Ca\n0.187703 0.298805 0.998701 Ca\n0.699168 0.001072 0.190219 Ca\n0.998701 0.187703 0.298805 Ca\n0.298805 0.998701 0.187703 Ca\n0.310660 0.198836 0.497885 Ca\n0.698995 0.002394 0.811665 Ca\n0.809270 0.304688 0.000800 Ca\n0.190219 0.699168 0.001072 Ca\n0.304688 0.000800 0.809270 Ca\n0.002394 0.811665 0.698995 Ca\n0.690603 0.803569 0.502102 Ca\n0.313979 0.801021 0.501172 Ca\n0.000800 0.809270 0.304688 Ca\n0.001072 0.190219 0.699168 Ca\n0.497885 0.310660 0.198836 Ca\n0.501172 0.313979 0.801021 Ca\n0.201713 0.501112 0.689599 Ca\n0.811665 0.698995 0.002394 Ca\n0.068124 0.075357 0.947594 Al\n0.075357 0.947594 0.068124 Al\n0.582144 0.432992 0.494294 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Cd\n0.841417 0.298423 0.623983 Cd\n0.997373 0.241941 0.092225 Cd\n0.406559 0.655885 0.000522 Cd\n0.842233 0.502803 0.097281 Cd\n0.510855 0.501789 0.908634 Cd\n0.324129 0.324129 0.324129 Cd\n0.340073 0.198778 0.117621 Cd\n0.344845 0.999111 0.595610 Cd\n0.908634 0.510855 0.501789 Cd\n0.663080 0.338308 0.340911 Cd\n0.162826 0.839622 0.838729 Cd\n0.342812 0.999282 0.405515 Cd\n0.501406 0.185603 0.999882 Cd\n0.154760 0.154760 0.154760 Cd\n0.617460 0.842141 0.699270 Cd\n0.100062 0.505965 0.500589 Cd\n0.720336 0.588411 0.504916 Cd\n0.505965 0.500589 0.100062 Cd\n0.589290 0.498914 0.280588 Cd\n0.407600 0.995463 0.999879 Cd\n0.699270 0.617460 0.842141 Cd\n0.168629 0.831203 0.169154 Cd\n0.623983 0.841417 0.298423 Cd\n0.241941 0.092225 0.997373 Cd\n0.263085 0.404350 0.500840 Cd\n0.842141 0.699270 0.617460 Cd\n0.498914 0.280588 0.589290 Cd\n0.501789 0.908634 0.510855 Cd\n0.160689 0.694779 0.387889 Cd\n0.385183 0.152627 0.300141 Cd\n0.999059 0.000642 0.598600 Cd\n0.501467 0.999410 0.688380 Cd\n0.116469 0.656363 0.201118 Cd\n0.997925 0.315915 0.500561 Cd\n0.772796 0.909661 0.001724 Cd\n0.770830 0.094326 0.001847 Cd\n0.501198 0.813493 0.000797 Cd\n0.201452 0.883496 0.660170 Cd\n0.995463 0.999879 0.407600 Cd\n0.158085 0.301126 0.616449 Cd\n0.338308 0.340911 0.663080 Cd\n0.616449 0.158085 0.301126 Cd\n0.158073 0.501970 0.904398 Cd\n0.000522 0.406559 0.655885 Cd\n0.802529 0.115535 0.660520 Cd\n0.164134 0.697043 0.616982 Cd\n0.000797 0.501198 0.813493 Cd\n0.660261 0.345602 0.656278 Cd\n0.115535 0.660520 0.802529 Cd\n0.909661 0.001724 0.772796 Cd\n0.001847 0.770830 0.094326 Cd\n0.199718 0.880126 0.346033 Cd\n0.839622 0.838729 0.162826 Cd\n0.298423 0.623983 0.841417 Cd\n0.598600 0.999059 0.000642 Cd\n0.499367 0.094072 0.156294 Cd\n0.152627 0.300141 0.385183 Cd\n0.999879 0.407600 0.995463 Cd\n0.883766 0.343272 0.802389 Cd\n0.343272 0.802389 0.883766 Cd\n0.344832 0.800332 0.116384 Cd\n0.657870 0.002603 0.597557 Cd\n0.405805 0.501829 0.754660 Cd\n0.092225 0.997373 0.241941 Cd\n0.999111 0.595610 0.344845 Cd\n0.803117 0.885779 0.660375 Cd\n0.837564 0.697878 0.386838 Cd\n0.754660 0.405805 0.501829 Cd\n0.379995 0.843302 0.298688 Cd\n0.501829 0.754660 0.405805 Cd\n0.588411 0.504916 0.720336 Cd\n0.843302 0.298688 0.379995 Cd\n0.813493 0.000797 0.501198 Cd\n0.386838 0.837564 0.697878 Cd\n0.185603 0.999882 0.501406 Cd\n0.502803 0.097281 0.842233 Cd\n0.880126 0.346033 0.199718 Cd\n",
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"elements": [
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],
"chemical_system": "Al-Ca-Cd",
"density": 6.873568286349558,
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"volume": 3977.818309139917,
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"formula_full": "Ca24 Al8 Cd136",
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"energy": -234.05223058,
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"updated_at": "2021-11-28T01:34:29.646000Z",
"spacegroup": 146
},
{
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"created_at": "2022-09-04T14:44:28.147636Z",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Cl-Zr",
"density": 2.77093160352719,
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"volume": 5173.574015354648,
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"updated_at": "2021-11-28T01:36:07.828000Z",
"spacegroup": 230
},
{
"id": "mp-1196033",
"created_at": "2022-09-04T14:42:00.442280Z",
"structure_string": "Ba4 Mn36 V24 O104\n1.0\n12.951741 0.000000 0.000000\n0.000000 12.951741 0.000000\n0.000000 0.000000 12.951741\nBa Mn V O\n4 36 24 104\ndirect\n-0.000000 0.500000 0.500000 Ba\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.321206 0.821206 0.678794 Mn\n0.678794 0.321206 0.821206 Mn\n0.178794 0.178794 0.178794 Mn\n0.821206 0.678794 0.321206 Mn\n0.678794 0.178794 0.321206 Mn\n0.321206 0.678794 0.178794 Mn\n0.821206 0.821206 0.821206 Mn\n0.178794 0.321206 0.678794 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.309126 0.000802 0.839602 Mn\n0.690874 0.500802 0.660398 Mn\n0.190874 0.999198 0.339602 Mn\n0.809126 0.499198 0.160398 Mn\n0.839602 0.309126 0.000802 Mn\n0.660398 0.690874 0.500802 Mn\n0.339602 0.190874 0.999198 Mn\n0.160398 0.809126 0.499198 Mn\n0.000802 0.839602 0.309126 Mn\n0.500802 0.660398 0.690874 Mn\n0.999198 0.339602 0.190874 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],
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"formula_full": "Ba4 Mn36 V24 O104",
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"updated_at": "2021-11-28T01:35:35.795000Z",
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}
]
}