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{
"id": "mp-1047950",
"created_at": "2022-09-04T14:41:36.655774Z",
"structure_string": "Ba4 Zn4 Ni4 F28\n1.0\n10.003911 0.000000 0.000000\n0.000000 5.616155 0.000000\n0.000000 0.448649 9.565690\nBa Zn Ni F\n4 4 4 28\ndirect\n0.314678 0.740213 0.500267 Ba\n0.814678 0.259787 0.999733 Ba\n0.685322 0.259787 0.499733 Ba\n0.185322 0.740213 0.000267 Ba\n0.399269 0.301986 0.809675 Zn\n0.899269 0.698014 0.690325 Zn\n0.100731 0.301986 0.309675 Zn\n0.600731 0.698014 0.190325 Zn\n0.612480 0.804785 0.811253 Ni\n0.387520 0.195215 0.188747 Ni\n0.887520 0.804785 0.311253 Ni\n0.112480 0.195215 0.688747 Ni\n0.442589 0.894447 0.122384 F\n0.051803 0.635001 0.370907 F\n0.705371 0.527057 0.749999 F\n0.294629 0.472943 0.250001 F\n0.455167 0.116620 0.363368 F\n0.809983 0.742118 0.491988 F\n0.779625 0.980317 0.750129 F\n0.955167 0.883380 0.136632 F\n0.448197 0.635001 0.870907 F\n0.205371 0.472943 0.750001 F\n0.057411 0.894447 0.622384 F\n0.557411 0.105553 0.877616 F\n0.279625 0.019683 0.749871 F\n0.957282 0.617859 0.880760 F\n0.544833 0.883380 0.636632 F\n0.044833 0.116620 0.863368 F\n0.220375 0.019683 0.249871 F\n0.942589 0.105553 0.377616 F\n0.457282 0.382141 0.619240 F\n0.948197 0.364999 0.629093 F\n0.042718 0.382141 0.119240 F\n0.720375 0.980317 0.250129 F\n0.542718 0.617859 0.380760 F\n0.309983 0.257882 0.008012 F\n0.190017 0.257882 0.508012 F\n0.690017 0.742118 0.991988 F\n0.551803 0.364999 0.129093 F\n0.794629 0.527057 0.249999 F\n",
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},
{
"id": "mp-756225",
"created_at": "2022-09-04T14:42:38.263976Z",
"structure_string": "Li3 Co4 Sb1 O8\n1.0\n3.080277 5.154714 0.000000\n-3.080277 5.154714 0.000000\n0.000000 3.608565 5.015089\nLi Co Sb O\n3 4 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Sb\n0.740214 0.740214 0.755258 O\n0.271078 0.736655 0.228458 O\n0.736655 0.271078 0.228458 O\n0.259786 0.259786 0.244742 O\n0.250058 0.250058 0.730781 O\n0.728922 0.263345 0.771542 O\n0.263345 0.728922 0.771542 O\n0.749942 0.749942 0.269219 O\n",
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"spacegroup": 12
},
{
"id": "mp-1043255",
"created_at": "2022-09-04T14:42:06.627575Z",
"structure_string": "Ca2 Co4 O10\n1.0\n3.722666 -0.000039 0.000000\n-1.861390 5.555209 0.000000\n0.000000 0.000000 11.190366\nCa Co O\n2 4 10\ndirect\n0.901483 0.802921 0.750000 Ca\n0.098518 0.197080 0.250000 Ca\n0.209732 0.419427 0.595132 Co\n0.790269 0.580574 0.404867 Co\n0.790269 0.580574 0.095133 Co\n0.209732 0.419427 0.904868 Co\n0.720883 0.441795 0.250000 O\n0.279118 0.558206 0.750000 O\n0.222429 0.444897 0.071203 O\n0.777573 0.555104 0.928797 O\n0.777573 0.555104 0.571203 O\n0.222429 0.444897 0.428796 O\n0.062014 0.124096 0.620335 O\n0.937986 0.875903 0.379665 O\n0.062014 0.124096 0.879665 O\n0.937986 0.875903 0.120336 O\n",
"nsites": 16,
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"density": 3.41469442341878,
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"formula_full": "Ca2 Co4 O10",
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"updated_at": "2021-11-28T01:35:35.183000Z",
"spacegroup": 63
},
{
"id": "mp-1197974",
"created_at": "2022-09-04T14:39:12.515033Z",
"structure_string": "Cd4 C12 N4 O24\n1.0\n8.719286 0.000000 0.000000\n0.000000 11.204965 0.000000\n0.000000 0.000000 12.904265\nCd C N O\n4 12 4 24\ndirect\n0.607856 0.501691 0.996965 Cd\n0.392144 0.498309 0.496965 Cd\n0.892144 0.001691 0.496965 Cd\n0.107856 0.998309 0.996965 Cd\n0.409019 0.815644 0.074503 C\n0.590981 0.184356 0.574503 C\n0.090981 0.315644 0.574503 C\n0.909019 0.684356 0.074503 C\n0.688836 0.549408 0.740877 C\n0.311164 0.450592 0.240877 C\n0.811164 0.049408 0.240877 C\n0.188836 0.950592 0.740877 C\n0.276730 0.318150 0.955749 C\n0.723270 0.681850 0.455749 C\n0.223270 0.818150 0.455749 C\n0.776730 0.181850 0.955749 C\n0.329615 0.157711 0.293317 N\n0.670385 0.842289 0.793317 N\n0.170385 0.657711 0.793317 N\n0.829615 0.342289 0.293317 N\n0.386269 0.750768 0.004122 O\n0.613731 0.249232 0.504122 O\n0.113731 0.250768 0.504122 O\n0.886269 0.749232 0.004122 O\n0.432696 0.879245 0.145385 O\n0.567304 0.120755 0.645385 O\n0.067304 0.379245 0.645385 O\n0.932696 0.620755 0.145385 O\n0.820953 0.542413 0.757755 O\n0.179047 0.457587 0.257755 O\n0.679047 0.042413 0.257755 O\n0.320953 0.957587 0.757755 O\n0.556464 0.555521 0.722638 O\n0.443536 0.444479 0.222638 O\n0.943536 0.055521 0.222638 O\n0.056464 0.944479 0.722638 O\n0.250656 0.374878 0.881330 O\n0.749344 0.625122 0.381330 O\n0.249344 0.874878 0.381330 O\n0.750656 0.125122 0.881330 O\n0.301466 0.261005 0.030461 O\n0.698534 0.738995 0.530461 O\n0.198534 0.761005 0.530461 O\n0.801466 0.238995 0.030461 O\n",
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"formula_full": "Cd4 C12 N4 O24",
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"spacegroup": 33
},
{
"id": "mp-768526",
"created_at": "2022-09-04T14:47:04.456848Z",
"structure_string": "Ni4 S6 O24\n1.0\n4.245938 6.452491 0.000000\n-4.245938 6.452491 0.000000\n0.000000 3.668552 7.894361\nNi S O\n4 6 24\ndirect\n0.376314 0.875649 0.481681 Ni\n0.875649 0.376314 0.981681 Ni\n0.124351 0.623686 0.018319 Ni\n0.623686 0.124351 0.518319 Ni\n0.750440 0.541622 0.320266 S\n0.541622 0.750440 0.820266 S\n0.050813 0.949187 0.250000 S\n0.949187 0.050813 0.750000 S\n0.458378 0.249560 0.179734 S\n0.249560 0.458378 0.679734 S\n0.867420 0.959710 0.384335 O\n0.959710 0.867420 0.884335 O\n0.872497 0.503538 0.431909 O\n0.608196 0.740308 0.312137 O\n0.870742 0.536925 0.140589 O\n0.503538 0.872497 0.931909 O\n0.213089 0.907592 0.322723 O\n0.651123 0.393460 0.380283 O\n0.740308 0.608196 0.812137 O\n0.536925 0.870742 0.640589 O\n0.907592 0.213089 0.822723 O\n0.606540 0.348877 0.119717 O\n0.393460 0.651123 0.880283 O\n0.092408 0.786911 0.177277 O\n0.463075 0.129258 0.359411 O\n0.259692 0.391804 0.187863 O\n0.348877 0.606540 0.619717 O\n0.786911 0.092408 0.677277 O\n0.496462 0.127503 0.068091 O\n0.129258 0.463075 0.859411 O\n0.391804 0.259692 0.687863 O\n0.127503 0.496462 0.568091 O\n0.040290 0.132580 0.115665 O\n0.132580 0.040290 0.615665 O\n",
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"formula_full": "Ni4 S6 O24",
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{
"id": "mp-767036",
"created_at": "2022-09-04T14:43:53.262967Z",
"structure_string": "Li8 Co4 C8 O24\n1.0\n-4.329748 -0.158918 -4.834345\n0.083071 -7.926858 0.186095\n-8.647557 0.015519 4.570510\nLi Co C O\n8 4 8 24\ndirect\n0.585667 0.080461 0.178619 Li\n0.085876 0.080507 0.678725 Li\n0.836569 0.417636 0.428853 Li\n0.336630 0.417559 0.928866 Li\n0.044182 0.911121 0.388939 Li\n0.543837 0.911484 0.888633 Li\n0.794703 0.587271 0.139030 Li\n0.294966 0.587387 0.639074 Li\n0.763610 0.495140 0.752593 Co\n0.013500 0.003168 0.002714 Co\n0.263450 0.495115 0.252601 Co\n0.513559 0.003189 0.502654 Co\n0.507836 0.742147 0.362395 C\n0.007909 0.742147 0.862438 C\n0.257619 0.756341 0.112600 C\n0.757576 0.756382 0.612649 C\n0.238787 0.229607 0.392917 C\n0.738907 0.229625 0.892871 C\n0.989001 0.268638 0.142714 C\n0.489194 0.268593 0.642717 C\n0.399568 0.750547 0.492928 O\n0.899702 0.750414 0.992982 O\n0.149376 0.747728 0.243125 O\n0.649336 0.747725 0.743133 O\n0.591075 0.881891 0.305161 O\n0.090982 0.881932 0.805253 O\n0.340233 0.616691 0.055067 O\n0.840266 0.616720 0.555059 O\n0.214145 0.087783 0.463350 O\n0.714146 0.087753 0.963251 O\n0.964321 0.410317 0.213293 O\n0.464509 0.410278 0.713252 O\n0.537552 0.600676 0.294342 O\n0.037686 0.600713 0.794293 O\n0.287706 0.898105 0.044872 O\n0.787707 0.898144 0.544913 O\n0.142691 0.366226 0.446852 O\n0.642831 0.366234 0.946842 O\n0.892650 0.132010 0.196551 O\n0.392905 0.131979 0.696564 O\n0.357282 0.238385 0.265848 O\n0.857460 0.238444 0.765835 O\n0.107756 0.259909 0.015768 O\n0.607862 0.259873 0.515717 O\n",
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{
"id": "mp-757931",
"created_at": "2022-09-04T14:42:09.853815Z",
"structure_string": "Li4 V4 P12 O36\n1.0\n5.228714 0.000000 0.000000\n0.000000 12.243529 0.000000\n0.000000 0.000000 13.202588\nLi V P O\n4 4 12 36\ndirect\n0.002495 0.011784 0.250000 Li\n0.002495 0.488216 0.750000 Li\n0.997505 0.511784 0.250000 Li\n0.997505 0.988216 0.750000 Li\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.247796 0.750000 0.000000 P\n0.247796 0.750000 0.500000 P\n0.506109 0.087285 0.639620 P\n0.506109 0.412715 0.139620 P\n0.506109 0.087285 0.860380 P\n0.506109 0.412715 0.360380 P\n0.493891 0.587285 0.639620 P\n0.493891 0.912715 0.360380 P\n0.493891 0.912715 0.139620 P\n0.493891 0.587285 0.860380 P\n0.752204 0.250000 0.000000 P\n0.752204 0.250000 0.500000 P\n0.102848 0.661434 0.052774 O\n0.102848 0.661434 0.447226 O\n0.102848 0.838566 0.552774 O\n0.102848 0.838566 0.947226 O\n0.233178 0.450659 0.132169 O\n0.233178 0.049341 0.632169 O\n0.233178 0.450659 0.367831 O\n0.233178 0.049341 0.867831 O\n0.284199 0.995558 0.121056 O\n0.284199 0.995558 0.378944 O\n0.284199 0.504442 0.878944 O\n0.284199 0.504442 0.621056 O\n0.448922 0.861259 0.250000 O\n0.448922 0.638741 0.750000 O\n0.457435 0.803944 0.075664 O\n0.457435 0.696056 0.575664 O\n0.457435 0.696056 0.924336 O\n0.457435 0.803944 0.424336 O\n0.542565 0.196056 0.575664 O\n0.542565 0.303944 0.075664 O\n0.542565 0.303944 0.424336 O\n0.542565 0.196056 0.924336 O\n0.551078 0.138741 0.750000 O\n0.551078 0.361259 0.250000 O\n0.715801 0.495558 0.378944 O\n0.715801 0.004442 0.621056 O\n0.715801 0.495558 0.121056 O\n0.715801 0.004442 0.878944 O\n0.766822 0.549341 0.867831 O\n0.766822 0.549341 0.632169 O\n0.766822 0.950659 0.367831 O\n0.766822 0.950659 0.132169 O\n0.897152 0.161434 0.447226 O\n0.897152 0.338566 0.552774 O\n0.897152 0.161434 0.052774 O\n0.897152 0.338566 0.947226 O\n",
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{
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