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{
"id": "mp-1217739",
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"structure_string": "Tb8 Si14\n1.0\n3.977435 4.018773 0.000000\n-3.977435 4.018773 0.000000\n0.000000 0.227992 13.991051\nTb Si\n8 14\ndirect\n0.885519 0.379293 0.128314 Tb\n0.620707 0.114481 0.871686 Tb\n0.872589 0.872589 0.626156 Tb\n0.127411 0.127411 0.373844 Tb\n0.379293 0.885519 0.128314 Tb\n0.114481 0.620707 0.871686 Tb\n0.374048 0.374048 0.629683 Tb\n0.625952 0.625952 0.370317 Tb\n0.863096 0.377562 0.712939 Si\n0.622438 0.136904 0.287061 Si\n0.880002 0.880002 0.202079 Si\n0.119998 0.119998 0.797921 Si\n0.377562 0.863096 0.712939 Si\n0.136904 0.622438 0.287061 Si\n0.381470 0.381470 0.184401 Si\n0.618530 0.618530 0.815599 Si\n0.874025 0.374127 0.543981 Si\n0.625873 0.125975 0.456019 Si\n0.857043 0.857043 0.032220 Si\n0.142957 0.142957 0.967780 Si\n0.374127 0.874025 0.543981 Si\n0.125975 0.625873 0.456019 Si\n",
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{
"id": "mp-1209608",
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"structure_string": "Rb2 Li1 Se2\n1.0\n3.656726 0.000000 0.000000\n0.000000 3.656726 0.000000\n0.000000 0.000000 15.553891\nRb Li Se\n2 1 2\ndirect\n0.500000 0.500000 0.649779 Rb\n0.500000 0.500000 0.350221 Rb\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.153550 Se\n0.500000 0.500000 0.846450 Se\n",
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{
"id": "mp-676712",
"created_at": "2022-09-04T14:39:48.588650Z",
"structure_string": "Re12 Se12 Cl12\n1.0\n5.941406 -7.278058 0.000000\n5.941406 7.278058 0.000000\n0.000000 0.000000 11.023337\nRe Se Cl\n12 12 12\ndirect\n0.376477 0.623523 0.250000 Re\n0.313354 0.816312 0.094154 Re\n0.390715 0.893947 0.319292 Re\n0.623523 0.376477 0.750000 Re\n0.609285 0.106053 0.819292 Re\n0.686646 0.183688 0.594154 Re\n0.816312 0.313354 0.905846 Re\n0.893947 0.390715 0.680708 Re\n0.879049 0.120951 0.750000 Re\n0.106053 0.609285 0.180708 Re\n0.183688 0.686646 0.405846 Re\n0.120951 0.879049 0.250000 Re\n0.294154 0.552706 0.034279 Se\n0.447294 0.705846 0.465721 Se\n0.323891 0.073802 0.166645 Se\n0.552706 0.294154 0.965721 Se\n0.705846 0.447294 0.534279 Se\n0.676109 0.926198 0.666645 Se\n0.926198 0.676109 0.333355 Se\n0.795728 0.052661 0.965373 Se\n0.947339 0.204272 0.534627 Se\n0.073802 0.323891 0.833355 Se\n0.052661 0.795728 0.034627 Se\n0.204272 0.947339 0.465373 Se\n0.461157 0.538843 0.750000 Cl\n0.433724 0.183553 0.668874 Cl\n0.407691 0.902531 0.889386 Cl\n0.538843 0.461157 0.250000 Cl\n0.592309 0.097469 0.389386 Cl\n0.566276 0.816447 0.168874 Cl\n0.816447 0.566276 0.831126 Cl\n0.902531 0.407691 0.110614 Cl\n0.955848 0.044151 0.250000 Cl\n0.097469 0.592309 0.610614 Cl\n0.044151 0.955848 0.750000 Cl\n0.183553 0.433724 0.331126 Cl\n",
"nsites": 36,
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"elements": [
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"Se",
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],
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"density": 6.283482226466428,
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"volume": 953.3400166525495,
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"formula_full": "Re12 Se12 Cl12",
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{
"id": "mp-1213294",
"created_at": "2022-09-04T14:39:48.533075Z",
"structure_string": "Eu4 Mg4 B20 O40\n1.0\n7.678709 0.000000 0.000000\n0.000000 8.784727 0.000000\n0.000000 8.378167 9.507896\nEu Mg B O\n4 4 20 40\ndirect\n0.186096 0.952151 0.238012 Eu\n0.813904 0.047849 0.761988 Eu\n0.686096 0.047849 0.261988 Eu\n0.313904 0.952151 0.738012 Eu\n0.909654 0.522386 0.374198 Mg\n0.090346 0.477614 0.625802 Mg\n0.409654 0.477614 0.125802 Mg\n0.590346 0.522386 0.874198 Mg\n0.825862 0.908931 0.104885 B\n0.174138 0.091069 0.895115 B\n0.325862 0.091069 0.395115 B\n0.674138 0.908931 0.604885 B\n0.577448 0.652540 0.260310 B\n0.422552 0.347460 0.739690 B\n0.077448 0.347460 0.239690 B\n0.922552 0.652540 0.760310 B\n0.814415 0.480626 0.087605 B\n0.185585 0.519374 0.912395 B\n0.314415 0.519374 0.412395 B\n0.685585 0.480626 0.587605 B\n0.467827 0.725113 0.555064 B\n0.532173 0.274887 0.444936 B\n0.967827 0.274887 0.944936 B\n0.032173 0.725113 0.055064 B\n0.598647 0.842665 0.000731 B\n0.401353 0.157335 0.999269 B\n0.098647 0.157335 0.499269 B\n0.901353 0.842665 0.500731 B\n0.915450 0.318191 0.193201 O\n0.084550 0.681809 0.806799 O\n0.415450 0.681809 0.306799 O\n0.584550 0.318191 0.693201 O\n0.875557 0.675422 0.010252 O\n0.124443 0.324578 0.989748 O\n0.375557 0.324578 0.489748 O\n0.624443 0.675422 0.510252 O\n0.392421 0.911227 0.420004 O\n0.607579 0.088773 0.579996 O\n0.892421 0.088773 0.079996 O\n0.107579 0.911227 0.920004 O\n0.713354 0.795705 0.232221 O\n0.286646 0.204295 0.767779 O\n0.213354 0.204295 0.267779 O\n0.786646 0.795705 0.732221 O\n0.653266 0.432378 0.068904 O\n0.346734 0.567622 0.931096 O\n0.153266 0.567622 0.431096 O\n0.846734 0.432378 0.568904 O\n0.775173 0.970604 0.483940 O\n0.224827 0.029396 0.516060 O\n0.275173 0.029396 0.016060 O\n0.724827 0.970604 0.983940 O\n0.651645 0.447892 0.366485 O\n0.348355 0.552108 0.633515 O\n0.151645 0.552108 0.133515 O\n0.848355 0.447892 0.866485 O\n0.532397 0.683930 0.131294 O\n0.467603 0.316070 0.868706 O\n0.032397 0.316070 0.368706 O\n0.967603 0.683930 0.631294 O\n0.952449 0.877928 0.383504 O\n0.047551 0.122072 0.616496 O\n0.452449 0.122072 0.116496 O\n0.547551 0.877928 0.883504 O\n0.970638 0.764756 0.147133 O\n0.029362 0.235244 0.852867 O\n0.470638 0.235244 0.352867 O\n0.529362 0.764756 0.647133 O\n",
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"volume": 641.3585691762512,
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"formula_full": "Eu4 Mg4 B20 O40",
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"spacegroup": 14
},
{
"id": "mp-1208628",
"created_at": "2022-09-04T14:39:48.549387Z",
"structure_string": "Sr4 Zn4 F8\n1.0\n7.811946 0.000000 0.000000\n0.000000 7.811946 0.000000\n-3.905973 -3.905973 5.713719\nSr Zn F\n4 4 8\ndirect\n0.625000 0.875000 0.250000 Sr\n0.625000 0.375000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.375000 0.250000 Zn\n0.125000 0.875000 0.250000 Zn\n0.125000 0.875000 0.750000 Zn\n0.625000 0.875000 0.750000 Zn\n0.470373 0.161679 0.321278 F\n0.850905 0.159599 0.321278 F\n0.409599 0.220373 0.821278 F\n0.779627 0.588321 0.178722 F\n0.411679 0.600905 0.821278 F\n0.399095 0.590401 0.178722 F\n0.840401 0.529627 0.678722 F\n0.838321 0.149095 0.678722 F\n",
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"density": 3.6388469315325116,
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"volume": 348.6882743071318,
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{
"id": "mp-849414",
"created_at": "2022-09-04T14:39:48.559448Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n12.738645 0.000000 0.000000\n0.000000 8.245274 0.000000\n0.000000 4.113733 7.184552\nLi Mn B O\n10 12 12 36\ndirect\n0.500000 0.020665 0.699470 Li\n0.747905 0.017100 0.702174 Li\n0.252095 0.017100 0.702174 Li\n0.000000 0.701659 0.281446 Li\n0.751262 0.701650 0.280960 Li\n0.248738 0.701650 0.280960 Li\n0.500000 0.280906 0.016554 Li\n0.750742 0.281372 0.016401 Li\n0.000000 0.278942 0.021057 Li\n0.249258 0.281372 0.016401 Li\n0.375828 0.638074 0.997620 Mn\n0.624172 0.638074 0.997620 Mn\n0.876407 0.650613 0.980983 Mn\n0.123593 0.650613 0.980983 Mn\n0.376651 0.981102 0.367163 Mn\n0.623349 0.981102 0.367163 Mn\n0.876077 0.987021 0.382680 Mn\n0.123923 0.987021 0.382680 Mn\n0.876183 0.361651 0.639055 Mn\n0.376162 0.381626 0.630546 Mn\n0.623838 0.381626 0.630546 Mn\n0.123817 0.361651 0.639055 Mn\n0.871544 0.999241 0.006686 B\n0.371479 0.006452 0.993072 B\n0.628521 0.006452 0.993072 B\n0.128456 0.999241 0.006686 B\n0.249945 0.333202 0.331217 B\n0.000000 0.337121 0.324846 B\n0.750055 0.333202 0.331217 B\n0.500000 0.325705 0.337747 B\n0.749944 0.665958 0.666752 B\n0.500000 0.667251 0.673380 B\n0.000000 0.659458 0.668428 B\n0.250056 0.665958 0.666752 B\n0.622161 0.090568 0.799113 O\n0.139561 0.081477 0.817256 O\n0.377839 0.090568 0.799113 O\n0.860439 0.081477 0.817256 O\n0.500000 0.744220 0.790556 O\n0.000000 0.737408 0.781008 O\n0.749670 0.746511 0.779456 O\n0.250330 0.746511 0.779456 O\n0.500000 0.398590 0.456802 O\n0.250509 0.418495 0.440224 O\n0.749491 0.418495 0.440224 O\n0.000000 0.416219 0.438597 O\n0.877188 0.804639 0.118204 O\n0.360296 0.816171 0.100788 O\n0.639704 0.816171 0.100788 O\n0.122812 0.804639 0.118204 O\n0.250940 0.139243 0.416681 O\n0.000000 0.145762 0.397158 O\n0.749060 0.139243 0.416681 O\n0.500000 0.132841 0.415263 O\n0.500000 0.472803 0.749990 O\n0.747509 0.472708 0.744416 O\n0.252491 0.472708 0.744416 O\n0.000000 0.465138 0.744880 O\n0.500000 0.779866 0.483155 O\n0.752699 0.780095 0.473088 O\n0.000000 0.776669 0.474450 O\n0.247301 0.780095 0.473088 O\n0.500000 0.438920 0.146028 O\n0.000000 0.451880 0.132750 O\n0.248360 0.442347 0.138653 O\n0.751640 0.442347 0.138653 O\n0.374530 0.118264 0.076795 O\n0.625470 0.118264 0.076795 O\n0.875186 0.110222 0.091388 O\n0.124814 0.110222 0.091388 O\n",
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"formula_full": "Li10 Mn12 B12 O36",
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{
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"created_at": "2022-09-04T14:39:48.669584Z",
"structure_string": "Cr3 N6\n1.0\n1.980714 -3.430697 0.000000\n1.980714 3.430697 0.000000\n0.000000 0.000000 7.763650\nCr N\n3 6\ndirect\n0.500000 0.500000 0.833333 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.166667 Cr\n0.406328 0.593672 0.333333 N\n0.406328 0.812657 0.000000 N\n0.187343 0.593672 0.666667 N\n0.593672 0.406328 0.333333 N\n0.593672 0.187343 0.000000 N\n0.812657 0.406328 0.666667 N\n",
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{
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"structure_string": "Cr2 P8 O24\n1.0\n5.706930 4.082413 0.000000\n-5.706930 4.082413 0.000000\n0.000000 0.419726 9.484102\nCr P O\n2 8 24\ndirect\n0.391599 0.608401 0.250000 Cr\n0.608401 0.391599 0.750000 Cr\n0.297835 0.223263 0.028862 P\n0.132553 0.776488 0.033091 P\n0.867447 0.223512 0.966909 P\n0.223263 0.297835 0.528862 P\n0.702165 0.776737 0.971138 P\n0.776488 0.132553 0.533091 P\n0.776737 0.702165 0.471138 P\n0.223512 0.867447 0.466909 P\n0.104786 0.268830 0.969688 O\n0.361623 0.384898 0.645022 O\n0.384898 0.361623 0.145022 O\n0.615102 0.638377 0.854978 O\n0.628961 0.157473 0.645652 O\n0.638377 0.615102 0.354978 O\n0.229026 0.766280 0.892778 O\n0.371039 0.842527 0.354348 O\n0.218232 0.431410 0.403373 O\n0.233720 0.770974 0.607222 O\n0.268830 0.104786 0.469688 O\n0.895214 0.731170 0.030312 O\n0.731170 0.895214 0.530312 O\n0.770974 0.233720 0.107222 O\n0.793392 0.000016 0.902073 O\n0.431410 0.218232 0.903373 O\n0.000016 0.793392 0.402073 O\n0.999984 0.206608 0.597927 O\n0.842527 0.371039 0.854348 O\n0.206608 0.999984 0.097927 O\n0.766280 0.229026 0.392778 O\n0.781768 0.568590 0.596627 O\n0.568590 0.781768 0.096627 O\n0.157473 0.628961 0.145652 O\n",
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