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{
"id": "mp-27424",
"created_at": "2022-09-04T14:47:40.769717Z",
"structure_string": "Ba2 Cu8 S6\n1.0\n1.980695 -7.209966 0.000000\n1.980695 7.209966 0.000000\n0.000000 0.000000 10.207640\nBa Cu S\n2 8 6\ndirect\n0.253628 0.746372 0.250000 Ba\n0.746372 0.253628 0.750000 Ba\n0.497465 0.502535 0.872983 Cu\n0.502535 0.497465 0.127017 Cu\n0.906166 0.093834 0.477529 Cu\n0.093834 0.906166 0.522471 Cu\n0.093834 0.906166 0.977529 Cu\n0.906166 0.093834 0.022471 Cu\n0.497465 0.502535 0.627017 Cu\n0.502535 0.497465 0.372983 Cu\n0.941582 0.058418 0.250000 S\n0.058418 0.941582 0.750000 S\n0.349426 0.650574 0.550822 S\n0.650574 0.349426 0.449178 S\n0.650574 0.349426 0.050822 S\n0.349426 0.650574 0.949178 S\n",
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{
"id": "mp-1178349",
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"structure_string": "Fe10 O11 F9\n1.0\n4.727437 0.000000 0.000000\n0.078214 4.730590 0.000000\n0.080005 0.078015 15.363615\nFe O F\n10 11 9\ndirect\n0.980304 0.956342 0.006665 Fe\n0.044555 0.019916 0.194608 Fe\n0.985402 0.950105 0.397671 Fe\n0.048543 0.003288 0.599019 Fe\n0.044442 0.003188 0.802287 Fe\n0.509690 0.489437 0.100490 Fe\n0.484877 0.519117 0.499277 Fe\n0.481699 0.525293 0.299602 Fe\n0.458929 0.490932 0.699783 Fe\n0.477626 0.518563 0.900825 Fe\n0.207926 0.792099 0.100653 O\n0.190218 0.817114 0.296758 O\n0.188238 0.806363 0.498231 O\n0.197990 0.813144 0.700527 O\n0.181344 0.806175 0.903799 O\n0.328961 0.318495 0.198571 O\n0.313167 0.312499 0.597043 O\n0.310040 0.313290 0.802852 O\n0.680828 0.671067 0.002451 O\n0.682823 0.680363 0.399158 O\n0.810102 0.190277 0.100683 O\n0.294554 0.291154 0.999187 F\n0.291195 0.298498 0.398894 F\n0.708806 0.705446 0.201740 F\n0.700349 0.704800 0.600532 F\n0.697211 0.705467 0.799537 F\n0.797801 0.194290 0.499197 F\n0.800121 0.201844 0.300487 F\n0.794848 0.195024 0.899769 F\n0.807415 0.206409 0.699704 F\n",
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"formula_full": "Fe10 O11 F9",
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{
"id": "mp-1147606",
"created_at": "2022-09-04T14:47:40.842114Z",
"structure_string": "Li12 Zn6 P8 S32\n1.0\n9.289602 0.000000 0.000000\n0.000000 11.591576 0.000000\n0.000000 0.014743 11.596366\nLi Zn P S\n12 6 8 32\ndirect\n0.751425 0.377748 0.880128 Li\n0.251425 0.622252 0.119872 Li\n0.500462 0.123417 0.875663 Li\n0.498417 0.126140 0.373439 Li\n0.498628 0.626644 0.873416 Li\n0.502575 0.623157 0.377198 Li\n0.998417 0.873860 0.626561 Li\n0.000462 0.876583 0.124337 Li\n0.002575 0.376843 0.622802 Li\n0.998628 0.373356 0.126584 Li\n0.000318 0.626596 0.872784 Li\n0.500318 0.373404 0.127216 Li\n0.006579 0.123455 0.877716 Zn\n0.000021 0.126491 0.374043 Zn\n0.993948 0.625407 0.376442 Zn\n0.500021 0.873509 0.625957 Zn\n0.506579 0.876545 0.122284 Zn\n0.493948 0.374593 0.623558 Zn\n0.747366 0.125756 0.624828 P\n0.753328 0.124444 0.120361 P\n0.752392 0.628932 0.625068 P\n0.746724 0.621168 0.129062 P\n0.253328 0.875556 0.879639 P\n0.247366 0.874244 0.375172 P\n0.246724 0.378832 0.870938 P\n0.252392 0.371068 0.374932 P\n0.862317 0.730737 0.733879 S\n0.870948 0.728711 0.232203 S\n0.870044 0.228771 0.736242 S\n0.864738 0.228582 0.234085 S\n0.865859 0.023081 0.515664 S\n0.869043 0.018026 0.012557 S\n0.861391 0.520487 0.513699 S\n0.869545 0.520913 0.019069 S\n0.137185 0.984429 0.773269 S\n0.134519 0.985638 0.270760 S\n0.128549 0.482221 0.767952 S\n0.130925 0.485841 0.272000 S\n0.135109 0.762322 0.479337 S\n0.133383 0.767224 0.981389 S\n0.129057 0.266196 0.479522 S\n0.135207 0.266188 0.978903 S\n0.365859 0.976919 0.484336 S\n0.369043 0.981974 0.987443 S\n0.361391 0.479513 0.486301 S\n0.369545 0.479087 0.980931 S\n0.364738 0.771418 0.765915 S\n0.370044 0.771229 0.263758 S\n0.370948 0.271289 0.767797 S\n0.362317 0.269263 0.266121 S\n0.629057 0.733804 0.520478 S\n0.635207 0.733812 0.021097 S\n0.635109 0.237678 0.520663 S\n0.633383 0.232776 0.018611 S\n0.634519 0.014362 0.729240 S\n0.637185 0.015571 0.226731 S\n0.630925 0.514159 0.728000 S\n0.628549 0.517779 0.232048 S\n",
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"volume": 1248.7097668582512,
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"formula_full": "Li12 Zn6 P8 S32",
"formula_reduced": "Li6Zn3(PS4)4",
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"spacegroup": 4
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{
"id": "mp-1212182",
"created_at": "2022-09-04T14:47:40.600370Z",
"structure_string": "K4 Au4 Cl16 O8\n1.0\n12.067175 0.000000 0.000000\n0.000000 8.497482 0.000000\n0.000000 5.889745 9.042549\nK Au Cl O\n4 4 16 8\ndirect\n0.931373 0.719026 0.033095 K\n0.068627 0.280974 0.966905 K\n0.431373 0.280974 0.466905 K\n0.568627 0.719026 0.533095 K\n0.509531 0.757879 0.979793 Au\n0.490469 0.242121 0.020207 Au\n0.009531 0.242121 0.520207 Au\n0.990469 0.757879 0.479793 Au\n0.855602 0.391655 0.376082 Cl\n0.144398 0.608345 0.623918 Cl\n0.355602 0.608345 0.123918 Cl\n0.644398 0.391655 0.876082 Cl\n0.583239 0.194799 0.230283 Cl\n0.416761 0.805201 0.769717 Cl\n0.083239 0.805201 0.269717 Cl\n0.916761 0.194799 0.730283 Cl\n0.833942 0.919473 0.344087 Cl\n0.166058 0.080527 0.655913 Cl\n0.333942 0.080527 0.155913 Cl\n0.666058 0.919473 0.844087 Cl\n0.616527 0.717026 0.182099 Cl\n0.383473 0.282974 0.817901 Cl\n0.116527 0.282974 0.317901 Cl\n0.883473 0.717026 0.682099 Cl\n0.943895 0.608040 0.836649 O\n0.056105 0.391960 0.163351 O\n0.443895 0.391960 0.663351 O\n0.556105 0.608040 0.336649 O\n0.915917 0.990269 0.108904 O\n0.084083 0.009731 0.891096 O\n0.415917 0.009731 0.391096 O\n0.584083 0.990269 0.608904 O\n",
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{
"id": "mp-778865",
"created_at": "2022-09-04T14:47:40.614348Z",
"structure_string": "V8 O6 F18\n1.0\n5.252787 0.000000 0.000000\n-2.594192 -4.720727 0.000000\n-2.418377 1.078862 -17.264587\nV O F\n8 6 18\ndirect\n0.743623 0.366662 0.125275 V\n0.753034 0.905131 0.629881 V\n0.506701 0.716258 0.248774 V\n0.516821 0.258311 0.750494 V\n0.249449 0.135946 0.370719 V\n0.215799 0.613044 0.872584 V\n0.976080 0.011713 0.002092 V\n0.984207 0.485233 0.505138 V\n0.816183 0.212326 0.560875 O\n0.838781 0.196674 0.042447 O\n0.293928 0.407733 0.314102 O\n0.862255 0.428896 0.832609 O\n0.652056 0.541299 0.207250 O\n0.671561 0.047165 0.702584 O\n0.314139 0.137223 0.083657 F\n0.766771 0.669232 0.058032 F\n0.718849 0.067125 0.193335 F\n0.323122 0.927015 0.292976 F\n0.338045 0.682095 0.582559 F\n0.351742 0.480684 0.789651 F\n0.173432 0.596963 0.166478 F\n0.173397 0.090808 0.664016 F\n0.184000 0.301166 0.460371 F\n0.725310 0.573120 0.684740 F\n0.822783 0.903118 0.338249 F\n0.829054 0.721760 0.540734 F\n0.158785 0.791791 0.960619 F\n0.672387 0.322303 0.414566 F\n0.290954 0.953006 0.815643 F\n0.218321 0.310763 0.937298 F\n0.200411 0.812331 0.438306 F\n0.658022 0.833111 0.913947 F\n",
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{
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"structure_string": "Ga1 Fe3\n1.0\n3.660504 0.000000 0.000000\n0.000000 3.660504 0.000000\n0.000000 0.000000 3.660504\nGa Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
"id": "mp-753390",
"created_at": "2022-09-04T14:47:40.635530Z",
"structure_string": "Li6 V2 F12\n1.0\n5.226856 0.000000 0.000000\n0.000000 5.184677 0.000000\n0.000000 5.133384 7.778049\nLi V F\n6 2 12\ndirect\n0.500000 0.500000 0.000000 Li\n0.030830 0.722117 0.763613 Li\n0.530830 0.277883 0.736387 Li\n0.000000 0.500000 0.500000 Li\n0.469170 0.722117 0.263613 Li\n0.969170 0.277883 0.236387 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.405123 0.633013 0.738450 F\n0.182470 0.926963 0.417268 F\n0.171420 0.268757 0.057464 F\n0.671420 0.731243 0.442536 F\n0.682470 0.073037 0.082732 F\n0.905123 0.366987 0.761550 F\n0.094877 0.633013 0.238450 F\n0.317530 0.926963 0.917268 F\n0.328580 0.268757 0.557464 F\n0.828580 0.731243 0.942536 F\n0.817530 0.073037 0.582732 F\n0.594877 0.366987 0.261550 F\n",
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"formula_full": "Li6 V2 F12",
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{
"id": "mp-1193546",
"created_at": "2022-09-04T14:47:40.646880Z",
"structure_string": "Rb4 Pt2 C8 N8 Cl4\n1.0\n7.108341 0.000000 0.000000\n-2.872135 -9.162025 0.000000\n-2.441393 0.595750 -9.658094\nRb Pt C N Cl\n4 2 8 8 4\ndirect\n0.126983 0.824170 0.431711 Rb\n0.873017 0.175830 0.568289 Rb\n0.288325 0.655941 0.951901 Rb\n0.711675 0.344059 0.048099 Rb\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.935686 0.073855 0.166585 C\n0.064314 0.926145 0.833415 C\n0.851315 0.795118 0.038502 C\n0.148685 0.204882 0.961498 C\n0.708442 0.498740 0.678202 C\n0.291558 0.501260 0.321798 C\n0.603383 0.719514 0.493664 C\n0.396617 0.280486 0.506336 C\n0.894740 0.115918 0.261810 N\n0.105260 0.884082 0.738190 N\n0.761614 0.677382 0.061453 N\n0.238386 0.322618 0.938547 N\n0.828239 0.490443 0.779393 N\n0.171761 0.509557 0.220607 N\n0.656091 0.846392 0.486258 N\n0.343909 0.153608 0.513742 N\n0.688742 0.021042 0.861107 Cl\n0.311258 0.978958 0.138893 Cl\n0.735719 0.471950 0.379474 Cl\n0.264281 0.528050 0.620526 Cl\n",
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{
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{
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{
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}