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{
"id": "mp-630303",
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"structure_string": "Rh8 C16 I8 O16\n1.0\n9.720477 0.000000 0.000000\n0.000000 9.538655 0.000000\n0.000000 8.305360 11.410310\nRh C I O\n8 16 8 16\ndirect\n0.789960 0.789493 0.312687 Rh\n0.441476 0.772440 0.369358 Rh\n0.710040 0.789493 0.812687 Rh\n0.210040 0.210507 0.687313 Rh\n0.941476 0.227560 0.130642 Rh\n0.289960 0.210507 0.187313 Rh\n0.058524 0.772440 0.869358 Rh\n0.558524 0.227560 0.630642 Rh\n0.643807 0.274690 0.497156 C\n0.690440 0.354980 0.645294 C\n0.356193 0.725310 0.502844 C\n0.143807 0.725310 0.002844 C\n0.930993 0.728028 0.419251 C\n0.569007 0.728028 0.919251 C\n0.376423 0.325140 0.240887 C\n0.309560 0.645020 0.354706 C\n0.190440 0.645020 0.854706 C\n0.069007 0.271972 0.580749 C\n0.623577 0.674860 0.759113 C\n0.856193 0.274690 0.997156 C\n0.430993 0.271972 0.080749 C\n0.123577 0.325140 0.740887 C\n0.809560 0.354980 0.145294 C\n0.876423 0.674860 0.259113 C\n0.072566 0.155061 0.325778 I\n0.427434 0.155061 0.825778 I\n0.572566 0.844939 0.174222 I\n0.645974 0.941456 0.394677 I\n0.927434 0.844939 0.674222 I\n0.145974 0.058544 0.105323 I\n0.854026 0.941456 0.894677 I\n0.354026 0.058544 0.605323 I\n0.520367 0.318930 0.013963 O\n0.479633 0.681070 0.986037 O\n0.725698 0.435532 0.151751 O\n0.979633 0.318930 0.513963 O\n0.799244 0.303732 0.915073 O\n0.200756 0.696268 0.084927 O\n0.225698 0.564468 0.348249 O\n0.774302 0.435532 0.651751 O\n0.299244 0.696268 0.584927 O\n0.568738 0.601509 0.727226 O\n0.274302 0.564468 0.848249 O\n0.700756 0.303732 0.415073 O\n0.020367 0.681070 0.486037 O\n0.068738 0.398491 0.772774 O\n0.931262 0.601509 0.227226 O\n0.431262 0.398491 0.272774 O\n",
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{
"id": "mp-965",
"created_at": "2022-09-04T14:43:08.412235Z",
"structure_string": "Tb1 B2\n1.0\n1.654459 -2.865607 0.000000\n1.654459 2.865607 0.000000\n0.000000 0.000000 3.898448\nTb B\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n",
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"formula_full": "Tb1 B2",
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"spacegroup": 191
},
{
"id": "mp-7476",
"created_at": "2022-09-04T14:43:08.417287Z",
"structure_string": "Rb1 Dy1 O2\n1.0\n6.641267 -1.756380 0.000000\n6.641267 1.756380 0.000000\n6.176767 0.000000 3.006468\nRb Dy O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Dy\n0.774956 0.774956 0.774956 O\n0.225044 0.225044 0.225044 O\n",
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"formula_full": "Rb1 Dy1 O2",
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},
{
"id": "mp-15819",
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"structure_string": "Mn6 Al18 Si2\n1.0\n3.741832 -6.481044 0.000000\n3.741832 6.481044 0.000000\n0.000000 0.000000 7.640311\nMn Al Si\n6 18 2\ndirect\n0.761501 0.880751 0.250000 Mn\n0.119249 0.880751 0.250000 Mn\n0.880751 0.761501 0.750000 Mn\n0.238499 0.119249 0.750000 Mn\n0.880751 0.119249 0.750000 Mn\n0.119249 0.238499 0.250000 Mn\n0.799683 0.200317 0.435812 Al\n0.799683 0.200317 0.064188 Al\n0.200317 0.799683 0.564188 Al\n0.200317 0.400634 0.564188 Al\n0.599366 0.799683 0.564188 Al\n0.400634 0.200317 0.064188 Al\n0.457374 0.914748 0.250000 Al\n0.542626 0.457374 0.750000 Al\n0.914748 0.457374 0.750000 Al\n0.799683 0.599366 0.064188 Al\n0.457374 0.542626 0.250000 Al\n0.542626 0.085252 0.750000 Al\n0.200317 0.400634 0.935812 Al\n0.085252 0.542626 0.250000 Al\n0.400634 0.200317 0.435812 Al\n0.599366 0.799683 0.935812 Al\n0.200317 0.799683 0.935812 Al\n0.799683 0.599366 0.435812 Al\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
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"volume": 370.5700253904621,
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"formula_full": "Mn6 Al18 Si2",
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"updated_at": "2021-11-28T01:36:06.789000Z",
"spacegroup": 194
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{
"id": "mp-1228920",
"created_at": "2022-09-04T14:43:08.428614Z",
"structure_string": "Cs2 Fe2 Cu2 F12\n1.0\n-3.656160 3.767116 5.313549\n3.656160 -3.767116 5.313549\n3.656160 3.767116 -5.313549\nCs Fe Cu F\n2 2 2 12\ndirect\n0.372520 0.622520 0.750000 Cs\n0.627480 0.377480 0.250000 Cs\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.315236 0.065236 0.250000 F\n0.932204 0.682204 0.250000 F\n0.328428 0.686985 0.257714 F\n0.929271 0.070713 0.242286 F\n0.328428 0.070713 0.641442 F\n0.929271 0.686985 0.858558 F\n0.684764 0.934764 0.750000 F\n0.067796 0.317796 0.750000 F\n0.671572 0.313015 0.742286 F\n0.070729 0.929287 0.757714 F\n0.671572 0.929287 0.358558 F\n0.070729 0.313015 0.141442 F\n",
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"density": 4.155483649567509,
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"volume": 292.7378424927898,
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"formula_full": "Cs2 Fe2 Cu2 F12",
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"spacegroup": 74
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{
"id": "mp-1247175",
"created_at": "2022-09-04T14:43:08.436003Z",
"structure_string": "Mg2 V2 Fe2 S8\n1.0\n6.200066 -0.002471 3.575651\n2.043508 5.759338 3.611694\n0.029676 0.065174 7.099836\nMg V Fe S\n2 2 2 8\ndirect\n0.874828 0.875290 0.875381 Mg\n0.125165 0.124720 0.124625 Mg\n0.499999 0.500026 0.999979 V\n0.500000 0.999971 0.500040 V\n0.500003 0.500003 0.499989 Fe\n0.000006 0.499993 0.500000 Fe\n0.752721 0.729800 0.729877 S\n0.259606 0.279674 0.700996 S\n0.259567 0.701038 0.279686 S\n0.712674 0.269963 0.269915 S\n0.740424 0.298970 0.720299 S\n0.287308 0.730029 0.730074 S\n0.247300 0.270188 0.270133 S\n0.740403 0.720329 0.299006 S\n",
"nsites": 14,
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"elements": [
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"Fe",
"S"
],
"chemical_system": "Fe-Mg-S-V",
"density": 3.418448974220062,
"density_atomic": 0.05556345977378781,
"volume": 251.96415156646765,
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"formula_full": "Mg2 V2 Fe2 S8",
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{
"id": "mp-771523",
"created_at": "2022-09-04T14:43:08.437175Z",
"structure_string": "Li4 Cr8 O16\n1.0\n5.086746 2.935506 0.000000\n-5.086746 2.935506 0.000000\n0.000000 0.129895 9.514608\nLi Cr O\n4 8 16\ndirect\n0.335986 0.667870 0.896152 Li\n0.998474 0.998390 0.996393 Li\n0.998390 0.998474 0.496393 Li\n0.667870 0.335986 0.396152 Li\n0.664716 0.833501 0.210217 Cr\n0.328233 0.664454 0.483031 Cr\n0.170928 0.342061 0.214897 Cr\n0.169674 0.833620 0.210186 Cr\n0.833620 0.169674 0.710186 Cr\n0.664454 0.328233 0.983031 Cr\n0.833501 0.664716 0.710217 Cr\n0.342061 0.170928 0.714897 Cr\n0.669421 0.835301 0.607096 O\n0.486203 0.528404 0.338435 O\n0.337040 0.672213 0.102640 O\n0.997779 0.996736 0.311524 O\n0.996736 0.997779 0.811524 O\n0.154205 0.327937 0.604402 O\n0.478152 0.957645 0.335666 O\n0.041034 0.528701 0.338169 O\n0.826816 0.154802 0.105111 O\n0.154802 0.826816 0.605111 O\n0.957645 0.478152 0.835666 O\n0.528701 0.041034 0.838169 O\n0.672213 0.337040 0.602640 O\n0.835301 0.669421 0.107096 O\n0.528404 0.486203 0.838435 O\n0.327937 0.154205 0.104402 O\n",
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"formula_full": "Li4 Cr8 O16",
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{
"id": "mp-695170",
"created_at": "2022-09-04T14:43:08.439671Z",
"structure_string": "Nd3 Al3 Si3 N2 O12\n1.0\n4.062076 6.875664 0.000000\n-4.062076 6.875664 0.000000\n0.000000 0.067884 4.922636\nNd Al Si N O\n3 3 3 2 12\ndirect\n0.583185 0.012655 0.005755 Nd\n0.987345 0.416815 0.994245 Nd\n0.416012 0.583988 0.000000 Nd\n0.237223 0.990037 0.520378 Al\n0.005642 0.994358 0.000000 Al\n0.009963 0.762777 0.479622 Al\n0.669783 0.666602 0.542043 Si\n0.333398 0.330217 0.457957 Si\n0.738190 0.261810 0.500000 Si\n0.699205 0.460582 0.684879 N\n0.539418 0.300795 0.315121 N\n0.212891 0.859410 0.248964 O\n0.473128 0.846055 0.677423 O\n0.872892 0.895182 0.198405 O\n0.659744 0.677298 0.209080 O\n0.844332 0.700425 0.666323 O\n0.140590 0.787109 0.751036 O\n0.153945 0.526872 0.322577 O\n0.908684 0.212668 0.265136 O\n0.104818 0.127108 0.801595 O\n0.322702 0.340256 0.790920 O\n0.299575 0.155668 0.333677 O\n0.787332 0.091316 0.734864 O\n",
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],
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"formula_full": "Nd3 Al3 Si3 N2 O12",
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{
"id": "mp-861394",
"created_at": "2022-09-04T14:43:08.446706Z",
"structure_string": "Li12 Si12 Ni6 O36\n1.0\n0.000000 10.900681 11.183487\n3.165488 0.000000 11.183487\n3.165488 10.900681 0.000000\nLi Si Ni O\n12 12 6 36\ndirect\n0.622950 0.622950 0.877050 Li\n0.002088 0.002088 0.497912 Li\n0.110838 0.462540 0.533033 Li\n0.802337 0.059409 0.918137 Li\n0.331863 0.029883 0.447663 Li\n0.716967 0.356411 0.139162 Li\n0.752088 0.752088 0.247912 Li\n0.372950 0.372950 0.627050 Li\n0.356411 0.716967 0.787460 Li\n0.029883 0.331863 0.190591 Li\n0.059409 0.802337 0.220117 Li\n0.462540 0.110838 0.893589 Li\n0.158984 0.158984 0.341016 Si\n0.493364 0.493364 0.006636 Si\n0.564300 0.946506 0.042917 Si\n0.282873 0.581146 0.424684 Si\n0.825316 0.538703 0.967127 Si\n0.207083 0.803724 0.685700 Si\n0.908984 0.908984 0.091016 Si\n0.243364 0.243364 0.756636 Si\n0.803724 0.207083 0.303494 Si\n0.538703 0.825316 0.668854 Si\n0.581146 0.282873 0.711297 Si\n0.946506 0.564300 0.446276 Si\n0.873854 0.873854 0.626146 Ni\n0.943915 0.198345 0.739394 Ni\n0.510606 0.131654 0.306085 Ni\n0.623854 0.623854 0.376146 Ni\n0.131654 0.510606 0.051655 Ni\n0.198345 0.943915 0.118346 Ni\n0.426170 0.972383 0.081611 O\n0.754598 0.314025 0.770037 O\n0.614179 0.016814 0.914062 O\n0.031137 0.841227 0.593761 O\n0.473710 0.425537 0.150385 O\n0.183711 0.066961 0.447697 O\n0.804481 0.670560 0.883680 O\n0.761078 0.471509 0.970801 O\n0.395894 0.118995 0.296421 O\n0.953579 0.061310 0.854106 O\n0.279199 0.453388 0.488922 O\n0.366320 0.608721 0.445519 O\n0.802303 0.948369 0.066289 O\n0.099615 0.299631 0.776290 O\n0.656239 0.716125 0.218863 O\n0.335938 0.795055 0.635821 O\n0.479963 0.088659 0.495402 O\n0.168389 0.730164 0.823830 O\n0.730164 0.168389 0.277617 O\n0.088659 0.479963 0.935975 O\n0.795055 0.335938 0.233186 O\n0.716125 0.656238 0.408773 O\n0.299631 0.099615 0.824463 O\n0.948369 0.802303 0.183039 O\n0.608721 0.366320 0.579440 O\n0.453388 0.279199 0.778491 O\n0.061310 0.953579 0.131005 O\n0.118995 0.395894 0.188690 O\n0.471509 0.761078 0.796612 O\n0.670560 0.804481 0.641279 O\n0.066961 0.183711 0.301631 O\n0.425537 0.473710 0.950369 O\n0.841227 0.031137 0.533875 O\n0.016814 0.614179 0.454945 O\n0.314025 0.754598 0.161341 O\n0.972383 0.426170 0.519836 O\n",
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"formula_full": "Li12 Si12 Ni6 O36",
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