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{
"id": "mp-553939",
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"structure_string": "Ca4 C4 O12\n1.0\n4.543395 0.000000 0.000000\n0.000000 6.661488 0.000000\n0.000000 0.000000 8.531945\nCa C O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.500000 Ca\n0.027483 0.635568 0.250000 C\n0.527483 0.864432 0.750000 C\n0.472517 0.135568 0.250000 C\n0.972517 0.364432 0.750000 C\n0.218991 0.047454 0.250000 O\n0.097339 0.319840 0.617060 O\n0.281009 0.547454 0.250000 O\n0.902661 0.680160 0.382940 O\n0.402661 0.819840 0.617060 O\n0.781009 0.952546 0.750000 O\n0.597339 0.180160 0.382940 O\n0.597339 0.180160 0.117060 O\n0.402661 0.819840 0.882940 O\n0.902661 0.680160 0.117060 O\n0.097339 0.319840 0.882940 O\n0.718991 0.452546 0.750000 O\n",
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{
"id": "mp-559177",
"created_at": "2022-09-04T14:40:32.281231Z",
"structure_string": "Mg14 Si16 O44 F4\n1.0\n5.366488 0.000000 0.000000\n0.000000 9.467724 0.000000\n0.000000 0.000000 18.087936\nMg Si O F\n14 16 44 4\ndirect\n0.000000 0.500000 0.588362 Mg\n0.500000 0.500000 0.678091 Mg\n0.500000 0.000000 0.741331 Mg\n0.000000 0.500000 0.241331 Mg\n0.500000 0.500000 0.321909 Mg\n0.500000 0.000000 0.258669 Mg\n0.000000 0.500000 0.758669 Mg\n0.000000 0.500000 0.411638 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.911638 Mg\n0.000000 0.000000 0.178091 Mg\n0.500000 0.000000 0.088362 Mg\n0.000000 0.000000 0.821909 Mg\n0.500000 0.500000 0.500000 Mg\n0.325915 0.785173 0.584348 Si\n0.671084 0.294001 0.829244 Si\n0.674085 0.214827 0.584348 Si\n0.674085 0.214827 0.415652 Si\n0.828916 0.794001 0.670756 Si\n0.825915 0.714827 0.915652 Si\n0.171084 0.205999 0.329244 Si\n0.171084 0.205999 0.670756 Si\n0.328916 0.705999 0.170756 Si\n0.325915 0.785173 0.415652 Si\n0.671084 0.294001 0.170756 Si\n0.328916 0.705999 0.829244 Si\n0.828916 0.794001 0.329244 Si\n0.174085 0.285173 0.084348 Si\n0.825915 0.714827 0.084348 Si\n0.174085 0.285173 0.915652 Si\n0.068571 0.844324 0.620887 O\n0.650526 0.156006 0.500000 O\n0.184623 0.120350 0.747625 O\n0.166933 0.112432 0.085652 O\n0.815377 0.879650 0.747625 O\n0.684623 0.379650 0.752375 O\n0.666933 0.387568 0.414348 O\n0.170075 0.379740 0.674230 O\n0.333067 0.612432 0.585652 O\n0.940192 0.349296 0.866866 O\n0.829925 0.620260 0.325770 O\n0.829925 0.620260 0.674230 O\n0.670075 0.120260 0.174230 O\n0.329925 0.879740 0.825770 O\n0.568571 0.655676 0.879113 O\n0.431429 0.344324 0.120887 O\n0.833067 0.887568 0.085652 O\n0.333067 0.612432 0.414348 O\n0.170075 0.379740 0.325770 O\n0.684623 0.379650 0.247625 O\n0.666933 0.387568 0.585652 O\n0.833067 0.887568 0.914348 O\n0.815377 0.879650 0.252375 O\n0.184623 0.120350 0.252375 O\n0.931429 0.155676 0.620887 O\n0.440192 0.150704 0.366866 O\n0.059808 0.650704 0.133134 O\n0.440192 0.150704 0.633134 O\n0.940192 0.349296 0.133134 O\n0.670075 0.120260 0.825770 O\n0.150526 0.343994 0.000000 O\n0.315377 0.620350 0.247625 O\n0.931429 0.155676 0.379113 O\n0.329925 0.879740 0.174230 O\n0.559808 0.849296 0.366866 O\n0.068571 0.844324 0.379113 O\n0.849474 0.656006 0.000000 O\n0.559808 0.849296 0.633134 O\n0.568571 0.655676 0.120887 O\n0.431429 0.344324 0.879113 O\n0.349474 0.843994 0.500000 O\n0.059808 0.650704 0.866866 O\n0.166933 0.112432 0.914348 O\n0.315377 0.620350 0.752375 O\n0.835291 0.602906 0.500000 F\n0.335291 0.897094 0.000000 F\n0.664709 0.102906 0.000000 F\n0.164709 0.397094 0.500000 F\n",
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"F"
],
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"volume": 919.0195800568046,
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"formula_full": "Mg14 Si16 O44 F4",
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"spacegroup": 58
},
{
"id": "mp-683883",
"created_at": "2022-09-04T14:40:38.836327Z",
"structure_string": "Al32 P32 O128\n1.0\n14.189724 0.000000 0.000000\n0.000000 15.363851 0.000000\n0.000000 0.000000 17.651337\nAl P O\n32 32 128\ndirect\n0.077955 0.599441 0.426535 Al\n0.422045 0.099441 0.426535 Al\n0.077955 0.900559 0.926535 Al\n0.214285 0.339636 0.539475 Al\n0.922045 0.400559 0.573465 Al\n0.554613 0.097528 0.934078 Al\n0.785715 0.839636 0.960525 Al\n0.577955 0.900559 0.573465 Al\n0.785715 0.660364 0.460525 Al\n0.445387 0.902472 0.065922 Al\n0.922045 0.099441 0.073465 Al\n0.285715 0.660364 0.039475 Al\n0.054613 0.402472 0.065922 Al\n0.555365 0.226732 0.159904 Al\n0.944635 0.773268 0.659904 Al\n0.944635 0.726732 0.159904 Al\n0.214285 0.160364 0.039475 Al\n0.444635 0.773268 0.840096 Al\n0.445387 0.597528 0.565922 Al\n0.444635 0.726732 0.340096 Al\n0.714285 0.160364 0.460525 Al\n0.577955 0.599441 0.073465 Al\n0.554613 0.402472 0.434078 Al\n0.945387 0.902472 0.434078 Al\n0.055365 0.273268 0.840096 Al\n0.555365 0.273268 0.659904 Al\n0.945387 0.597528 0.934078 Al\n0.055365 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"elements": [
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"formula_full": "Al32 P32 O128",
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},
{
"id": "mp-1232287",
"created_at": "2022-09-04T14:40:36.806356Z",
"structure_string": "Pm8 Mg4 S16\n1.0\n7.577825 -0.093780 0.697836\n-0.164636 8.735721 1.341467\n0.279920 0.376550 11.816392\nPm Mg S\n8 4 16\ndirect\n0.138580 0.706721 0.657721 Pm\n0.861420 0.293279 0.342279 Pm\n0.247240 0.870523 0.997587 Pm\n0.752760 0.129477 0.002413 Pm\n0.367241 0.551945 0.336485 Pm\n0.632759 0.448055 0.663515 Pm\n0.360653 0.030408 0.345566 Pm\n0.639347 0.969592 0.654434 Pm\n0.138045 0.206915 0.683969 Mg\n0.861955 0.793085 0.316031 Mg\n0.250665 0.386495 0.994018 Mg\n0.749336 0.613505 0.005982 Mg\n0.101114 0.643278 0.887302 S\n0.898886 0.356722 0.112698 S\n0.113645 0.164264 0.891640 S\n0.886355 0.835736 0.108360 S\n0.152408 0.773581 0.392574 S\n0.847592 0.226419 0.607426 S\n0.197259 0.281607 0.378094 S\n0.802741 0.718393 0.621906 S\n0.299042 0.993025 0.609534 S\n0.700958 0.006975 0.390466 S\n0.302091 0.454964 0.603018 S\n0.697909 0.545036 0.396982 S\n0.395028 0.090206 0.115955 S\n0.604972 0.909794 0.884045 S\n0.402634 0.589126 0.106550 S\n0.597366 0.410874 0.893450 S\n",
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{
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