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{
"id": "mp-1246049",
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"structure_string": "Zn6 Ga4 N8\n1.0\n6.344289 -1.003065 -0.180933\n-5.792750 7.402435 0.000000\n-0.256545 -0.200757 5.355308\nZn Ga N\n6 4 8\ndirect\n0.229951 0.958666 0.100684 Zn\n0.770049 0.728714 0.399316 Zn\n0.770049 0.041334 0.899316 Zn\n0.229951 0.271286 0.600684 Zn\n0.000000 0.656388 0.750000 Zn\n0.000000 0.343612 0.250000 Zn\n0.567992 0.172855 0.631982 Ga\n0.432008 0.604863 0.868018 Ga\n0.432008 0.827145 0.368018 Ga\n0.567992 0.395137 0.131982 Ga\n0.200882 0.886828 0.487187 N\n0.799118 0.685946 0.012813 N\n0.799118 0.113172 0.512813 N\n0.200882 0.314054 0.987187 N\n0.619068 0.228381 0.003017 N\n0.380932 0.609313 0.496983 N\n0.380932 0.771619 0.996983 N\n0.619068 0.390687 0.503017 N\n",
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{
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"formula_full": "Cs4 Tl4 I16",
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"formula_anonymous": "ABC4",
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},
{
"id": "mp-26838",
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"structure_string": "Mo4 P8 O28\n1.0\n8.254853 0.000000 0.000000\n0.000000 6.996723 0.000000\n0.000000 3.152893 9.249974\nMo P O\n4 8 28\ndirect\n0.726411 0.720579 0.490630 Mo\n0.773589 0.720579 0.990630 Mo\n0.273589 0.279421 0.509370 Mo\n0.226411 0.279421 0.009370 Mo\n0.590550 0.456764 0.294075 P\n0.963614 0.935510 0.204487 P\n0.909450 0.456764 0.794075 P\n0.036386 0.064490 0.795513 P\n0.536386 0.935510 0.704487 P\n0.409450 0.543236 0.705925 P\n0.463614 0.064490 0.295513 P\n0.090550 0.543236 0.205925 P\n0.927445 0.533361 0.131873 O\n0.447281 0.139301 0.655115 O\n0.093472 0.411356 0.364944 O\n0.105218 0.773714 0.206717 O\n0.101200 0.102811 0.641596 O\n0.593472 0.588644 0.135056 O\n0.672346 0.925483 0.601127 O\n0.601200 0.897189 0.858404 O\n0.898800 0.897189 0.358404 O\n0.769223 0.500534 0.881469 O\n0.230777 0.499466 0.118531 O\n0.172346 0.074517 0.898873 O\n0.394782 0.773714 0.706717 O\n0.052719 0.139301 0.155115 O\n0.406528 0.411356 0.864944 O\n0.398800 0.102811 0.141596 O\n0.730777 0.500534 0.381469 O\n0.327654 0.074517 0.398873 O\n0.827654 0.925483 0.101127 O\n0.572555 0.533361 0.631873 O\n0.072555 0.466639 0.868127 O\n0.552719 0.860699 0.344885 O\n0.947281 0.860699 0.844885 O\n0.894782 0.226286 0.793283 O\n0.605218 0.226286 0.293283 O\n0.269223 0.499466 0.618531 O\n0.427445 0.466639 0.368127 O\n0.906528 0.588644 0.635056 O\n",
"nsites": 40,
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"formula_full": "Mo4 P8 O28",
"formula_reduced": "MoP2O7",
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},
{
"id": "mp-644879",
"created_at": "2022-09-04T14:48:07.753006Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.990599 0.000000 0.000000\n0.000000 9.063945 0.000000\n0.000000 0.000000 9.345140\nMg Si O\n8 8 24\ndirect\n0.250000 0.272500 0.000000 Mg\n0.250000 0.902636 0.000000 Mg\n0.250000 0.772500 0.500000 Mg\n0.750000 0.597364 0.500000 Mg\n0.750000 0.727500 0.000000 Mg\n0.750000 0.097364 0.000000 Mg\n0.750000 0.227500 0.500000 Mg\n0.250000 0.402636 0.500000 Mg\n0.329397 0.591515 0.206106 Si\n0.329397 0.091515 0.293894 Si\n0.170603 0.591515 0.793894 Si\n0.829397 0.408485 0.206106 Si\n0.170603 0.091515 0.706106 Si\n0.829397 0.908485 0.293894 Si\n0.670603 0.908485 0.706106 Si\n0.670603 0.408485 0.793894 Si\n0.483292 0.552936 0.849585 O\n0.111965 0.092675 0.878683 O\n0.074760 0.235862 0.620663 O\n0.388035 0.092675 0.121317 O\n0.483292 0.052936 0.650415 O\n0.611965 0.407325 0.621317 O\n0.574760 0.764138 0.620663 O\n0.074760 0.735862 0.879337 O\n0.425240 0.235862 0.379337 O\n0.574760 0.264138 0.879337 O\n0.925240 0.264138 0.120663 O\n0.388035 0.592675 0.378683 O\n0.111965 0.592675 0.621317 O\n0.016708 0.552936 0.150415 O\n0.016708 0.052936 0.349585 O\n0.516708 0.947064 0.349585 O\n0.983292 0.947064 0.650415 O\n0.611965 0.907325 0.878683 O\n0.888035 0.907325 0.121317 O\n0.888035 0.407325 0.378683 O\n0.983292 0.447064 0.849585 O\n0.516708 0.447064 0.150415 O\n0.425240 0.735862 0.120663 O\n0.925240 0.764138 0.379337 O\n",
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"elements": [
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"volume": 422.7228741338784,
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"formula_full": "Mg8 Si8 O24",
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"spacegroup": 60
},
{
"id": "mp-619577",
"created_at": "2022-09-04T14:48:03.469945Z",
"structure_string": "K16 V16 P32 O120\n1.0\n9.660646 0.000000 0.000000\n0.000000 11.671497 0.000000\n0.000000 0.000000 22.407300\nK V P O\n16 16 32 120\ndirect\n0.065861 0.346032 0.438307 K\n0.565861 0.653968 0.061693 K\n0.934139 0.653968 0.561693 K\n0.036374 0.800248 0.865003 K\n0.565861 0.153968 0.438307 K\n0.463626 0.300248 0.134997 K\n0.434139 0.846032 0.561693 K\n0.536374 0.199752 0.634997 K\n0.036374 0.300248 0.634997 K\n0.065861 0.846032 0.061693 K\n0.934139 0.153968 0.938307 K\n0.536374 0.699752 0.865003 K\n0.463626 0.800248 0.365003 K\n0.434139 0.346032 0.938307 K\n0.963626 0.199752 0.134997 K\n0.963626 0.699752 0.365003 K\n0.757882 0.880480 0.469613 V\n0.257882 0.619520 0.469613 V\n0.016712 0.568038 0.724931 V\n0.483288 0.068038 0.275069 V\n0.242118 0.619520 0.969613 V\n0.257882 0.119520 0.030387 V\n0.516712 0.931962 0.724931 V\n0.983288 0.431962 0.275069 V\n0.742118 0.380480 0.530387 V\n0.757882 0.380480 0.030387 V\n0.016712 0.068038 0.775069 V\n0.483288 0.568038 0.224931 V\n0.516712 0.431962 0.775069 V\n0.983288 0.931962 0.224931 V\n0.242118 0.119520 0.530387 V\n0.742118 0.880480 0.969613 V\n0.719498 0.940177 0.113019 P\n0.125243 0.380517 0.029949 P\n0.219498 0.559823 0.113019 P\n0.480582 0.348916 0.308334 P\n0.374757 0.880517 0.970051 P\n0.270159 0.527034 0.332122 P\n0.280502 0.059823 0.886981 P\n0.229841 0.027034 0.667878 P\n0.874757 0.119483 0.529949 P\n0.719498 0.440177 0.386981 P\n0.125243 0.880517 0.470051 P\n0.770159 0.472966 0.167878 P\n0.780502 0.440177 0.886981 P\n0.729841 0.472966 0.667878 P\n0.874757 0.619483 0.970051 P\n0.219498 0.059823 0.386981 P\n0.519418 0.651084 0.691666 P\n0.729841 0.972966 0.832122 P\n0.374757 0.380517 0.529949 P\n0.270159 0.027034 0.167878 P\n0.229841 0.527034 0.832122 P\n0.980582 0.151084 0.308334 P\n0.019418 0.348916 0.808334 P\n0.770159 0.972966 0.332122 P\n0.625243 0.119483 0.029949 P\n0.980582 0.651084 0.191666 P\n0.625243 0.619483 0.470051 P\n0.480582 0.848916 0.191666 P\n0.780502 0.940177 0.613019 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},
{
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"structure_string": "Li8 Sn4 S12\n1.0\n5.583309 3.222965 0.000000\n-5.583309 3.222965 0.000000\n0.000000 2.145208 12.292318\nLi Sn S\n8 4 12\ndirect\n0.838866 0.670028 0.499569 Li\n0.329972 0.161134 0.000431 Li\n0.161134 0.329972 0.500431 Li\n0.670028 0.838866 0.999569 Li\n0.416947 0.583053 0.750000 Li\n0.583053 0.416947 0.250000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.083273 0.916727 0.750000 Sn\n0.916727 0.083273 0.250000 Sn\n0.749881 0.250119 0.750000 Sn\n0.250119 0.749881 0.250000 Sn\n0.970209 0.804245 0.129793 S\n0.195755 0.029791 0.370207 S\n0.029791 0.195755 0.870207 S\n0.804245 0.970209 0.629793 S\n0.108052 0.622931 0.629770 S\n0.377069 0.891948 0.870230 S\n0.891948 0.377069 0.370230 S\n0.622931 0.108052 0.129770 S\n0.724707 0.542327 0.872221 S\n0.457673 0.275293 0.627779 S\n0.275293 0.457673 0.127779 S\n0.542327 0.724707 0.372221 S\n",
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