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{
"id": "mp-1218386",
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{
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{
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"created_at": "2022-09-04T14:43:09.163019Z",
"structure_string": "Li8 Mg4 Ti12 O32\n1.0\n8.450350 0.000000 0.000000\n0.000000 8.450350 0.000000\n0.000000 0.000000 8.450350\nLi Mg Ti O\n8 4 12 32\ndirect\n0.002409 0.497591 0.502409 Li\n0.124555 0.875445 0.375445 Li\n0.375445 0.124555 0.875445 Li\n0.497591 0.502409 0.002409 Li\n0.502409 0.002409 0.497591 Li\n0.624555 0.624555 0.624555 Li\n0.875445 0.375445 0.124555 Li\n0.997591 0.997591 0.997591 Li\n0.247069 0.747069 0.752931 Mg\n0.252931 0.252931 0.252931 Mg\n0.747069 0.752931 0.247069 Mg\n0.752931 0.247069 0.747069 Mg\n0.119857 0.626818 0.134164 Ti\n0.126818 0.365836 0.880143 Ti\n0.134164 0.119857 0.626818 Ti\n0.365836 0.880143 0.126818 Ti\n0.373182 0.634164 0.380143 Ti\n0.380143 0.373182 0.634164 Ti\n0.619857 0.873182 0.865836 Ti\n0.626818 0.134164 0.119857 Ti\n0.634164 0.380143 0.373182 Ti\n0.865836 0.619857 0.873182 Ti\n0.873182 0.865836 0.619857 Ti\n0.880143 0.126818 0.365836 Ti\n0.107019 0.128188 0.389460 O\n0.111802 0.611802 0.888198 O\n0.110540 0.892981 0.628188 O\n0.122115 0.144185 0.858909 O\n0.128188 0.389460 0.107019 O\n0.141091 0.622115 0.355815 O\n0.138785 0.361215 0.638785 O\n0.144185 0.858909 0.122115 O\n0.355815 0.141091 0.622115 O\n0.361215 0.638785 0.138785 O\n0.358909 0.377885 0.855815 O\n0.371812 0.610540 0.607019 O\n0.377885 0.855815 0.358909 O\n0.389460 0.107019 0.128188 O\n0.388198 0.388198 0.388198 O\n0.392981 0.871812 0.889460 O\n0.607019 0.371812 0.610540 O\n0.611802 0.888198 0.111802 O\n0.610540 0.607019 0.371812 O\n0.622115 0.355815 0.141091 O\n0.628188 0.110540 0.892981 O\n0.641091 0.877885 0.644185 O\n0.638785 0.138785 0.361215 O\n0.644185 0.641091 0.877885 O\n0.855815 0.358909 0.377885 O\n0.861215 0.861215 0.861215 O\n0.858909 0.122115 0.144185 O\n0.871812 0.889460 0.392981 O\n0.877885 0.644185 0.641091 O\n0.889460 0.392981 0.871812 O\n0.888198 0.111802 0.611802 O\n0.892981 0.628188 0.110540 O\n",
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"spacegroup": 198
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{
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"created_at": "2022-09-04T14:43:09.165069Z",
"structure_string": "Cr2 Cu2 P4 O16\n1.0\n10.092523 -0.001995 -0.493187\n-0.001182 5.927259 0.000993\n-0.237840 0.000846 4.946979\nCr Cu P O\n2 2 4 16\ndirect\n0.211925 0.750084 0.457899 Cr\n0.788127 0.250183 0.542072 Cr\n0.304513 0.249673 0.853901 Cu\n0.695461 0.750067 0.145980 Cu\n0.097654 0.249987 0.389274 P\n0.392982 0.749805 0.945195 P\n0.606979 0.249998 0.054828 P\n0.902349 0.750177 0.610717 P\n0.054281 0.750272 0.659068 O\n0.131127 0.249702 0.705584 O\n0.159534 0.036955 0.268004 O\n0.159404 0.463415 0.268222 O\n0.320713 0.943507 0.763933 O\n0.320535 0.556097 0.764271 O\n0.369510 0.750066 0.241122 O\n0.458040 0.250013 0.095941 O\n0.541913 0.749834 0.903981 O\n0.630439 0.250017 0.758938 O\n0.679227 0.056253 0.235934 O\n0.679337 0.443732 0.235805 O\n0.840678 0.536852 0.732014 O\n0.840593 0.963220 0.732053 O\n0.868888 0.750201 0.294494 O\n0.945791 0.249891 0.340770 O\n",
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"formula_full": "Cr2 Cu2 P4 O16",
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{
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"structure_string": "Mg1 Al2 Se4\n1.0\n13.770376 -1.961125 0.000000\n13.770376 1.961125 0.000000\n13.491080 0.000000 3.385266\nMg Al Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.242291 0.242291 0.242291 Al\n0.757709 0.757709 0.757709 Al\n0.701590 0.701590 0.701590 Se\n0.298410 0.298410 0.298410 Se\n0.117119 0.117119 0.117119 Se\n0.882881 0.882881 0.882881 Se\n",
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{
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"structure_string": "Cs2 In2 Cu2 F12\n1.0\n-3.720406 3.947416 5.493194\n3.720406 -3.947416 5.493194\n3.720406 3.947416 -5.493194\nCs In Cu F\n2 2 2 12\ndirect\n0.859568 0.609568 0.250000 Cs\n0.140432 0.390432 0.750000 Cs\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.827629 0.077629 0.750000 F\n0.449054 0.699054 0.750000 F\n0.819768 0.670935 0.732425 F\n0.438510 0.087342 0.767575 F\n0.819768 0.087342 0.148833 F\n0.438510 0.670935 0.351167 F\n0.172371 0.922371 0.250000 F\n0.550946 0.300946 0.250000 F\n0.180232 0.329065 0.267575 F\n0.561490 0.912658 0.232425 F\n0.180232 0.912658 0.851167 F\n0.561490 0.329065 0.648833 F\n",
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{
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{
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{
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