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{
"id": "mp-821676",
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{
"id": "mp-1407746",
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"structure_string": "K2 Fe2 Se1 S3\n1.0\n5.452183 0.000000 0.000000\n-1.376338 6.539150 0.000000\n-1.280368 -3.278028 5.697841\nK Fe Se S\n2 2 1 3\ndirect\n0.244752 0.720381 0.640350 K\n0.744684 0.282923 0.351167 K\n0.248780 0.986967 0.009412 Fe\n0.756917 0.003492 0.002675 Fe\n0.401252 0.228393 0.685990 Se\n0.104402 0.202412 0.094582 S\n0.597821 0.790588 0.294950 S\n0.901392 0.784844 0.920874 S\n",
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{
"id": "mp-1199833",
"created_at": "2022-09-04T14:44:20.509278Z",
"structure_string": "Cs40 Tl24 Si4 O16\n1.0\n11.754592 0.000000 0.000000\n0.000000 15.274484 0.000000\n0.000000 0.085166 19.636507\nCs Tl Si O\n40 24 4 16\ndirect\n0.037865 0.187889 0.244708 Cs\n0.537865 0.312111 0.755292 Cs\n0.962135 0.812111 0.755292 Cs\n0.462135 0.687889 0.244708 Cs\n0.321579 0.544139 0.745983 Cs\n0.821579 0.955861 0.254017 Cs\n0.678421 0.455861 0.254017 Cs\n0.178421 0.044139 0.745983 Cs\n0.718030 0.584455 0.753322 Cs\n0.218030 0.915545 0.246678 Cs\n0.281970 0.415545 0.246678 Cs\n0.781970 0.084455 0.753322 Cs\n0.673046 0.188258 0.254243 Cs\n0.173046 0.311742 0.745757 Cs\n0.326954 0.811742 0.745757 Cs\n0.826954 0.688258 0.254243 Cs\n0.189097 0.298838 0.426352 Cs\n0.689097 0.201162 0.573648 Cs\n0.810903 0.701162 0.573648 Cs\n0.310903 0.798838 0.426352 Cs\n0.821298 0.694377 0.934922 Cs\n0.321298 0.805623 0.065078 Cs\n0.178702 0.305623 0.065078 Cs\n0.678702 0.194377 0.934922 Cs\n0.851258 0.320114 0.405157 Cs\n0.351258 0.179886 0.594843 Cs\n0.148742 0.679886 0.594843 Cs\n0.648742 0.820114 0.405157 Cs\n0.159258 0.671673 0.903389 Cs\n0.659258 0.828327 0.096611 Cs\n0.840742 0.328327 0.096611 Cs\n0.340742 0.171673 0.903389 Cs\n0.960890 0.444198 0.621370 Cs\n0.460890 0.055802 0.378630 Cs\n0.039110 0.555802 0.378630 Cs\n0.539110 0.944198 0.621370 Cs\n0.033527 0.561900 0.124289 Cs\n0.533527 0.938100 0.875711 Cs\n0.966473 0.438100 0.875711 Cs\n0.466473 0.061900 0.124289 Cs\n0.514721 0.358208 0.433537 Tl\n0.014721 0.141792 0.566463 Tl\n0.485279 0.641792 0.566463 Tl\n0.985279 0.858208 0.433537 Tl\n0.492883 0.638447 0.928683 Tl\n0.992883 0.861553 0.071317 Tl\n0.507117 0.361553 0.071317 Tl\n0.007117 0.138447 0.928683 Tl\n0.331041 0.441573 0.565018 Tl\n0.831041 0.058427 0.434982 Tl\n0.668959 0.558427 0.434982 Tl\n0.168959 0.941573 0.565018 Tl\n0.647896 0.568200 0.076480 Tl\n0.147896 0.931800 0.923520 Tl\n0.352104 0.431800 0.923520 Tl\n0.852104 0.068200 0.076480 Tl\n0.599380 0.457697 0.567071 Tl\n0.099380 0.042303 0.432929 Tl\n0.400620 0.542303 0.432929 Tl\n0.900620 0.957697 0.567071 Tl\n0.382343 0.541674 0.056593 Tl\n0.882343 0.958326 0.943407 Tl\n0.617657 0.458326 0.943407 Tl\n0.117657 0.041674 0.056593 Tl\n0.974955 0.400402 0.249723 Si\n0.474955 0.099598 0.750277 Si\n0.025045 0.599598 0.750277 Si\n0.525045 0.900402 0.249723 Si\n0.863955 0.331057 0.250487 O\n0.363955 0.168943 0.749513 O\n0.136045 0.668943 0.749513 O\n0.636045 0.831057 0.250487 O\n0.056309 0.379198 0.317699 O\n0.556309 0.120802 0.682301 O\n0.943691 0.620802 0.682301 O\n0.443691 0.879198 0.317699 O\n0.948180 0.618461 0.820760 O\n0.448180 0.881539 0.179240 O\n0.051820 0.381539 0.179240 O\n0.551820 0.118461 0.820760 O\n0.931274 0.504295 0.250800 O\n0.431274 0.995705 0.749200 O\n0.068726 0.495705 0.749200 O\n0.568726 0.004295 0.250800 O\n",
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"formula_full": "Cs40 Tl24 Si4 O16",
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"spacegroup": 14
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{
"id": "mp-1189146",
"created_at": "2022-09-04T14:44:20.593732Z",
"structure_string": "Sm3 Ni13 B2\n1.0\n5.005599 0.000000 0.000000\n-2.502800 4.334976 0.000000\n0.000000 0.000000 10.967887\nSm Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.669160 Sm\n0.000000 0.000000 0.330840 Sm\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.666667 0.333333 0.680785 Ni\n0.333333 0.666667 0.680785 Ni\n0.333333 0.666667 0.319215 Ni\n0.666667 0.333333 0.319215 Ni\n0.500000 0.500000 0.866480 Ni\n0.500000 0.000000 0.866480 Ni\n0.000000 0.500000 0.866480 Ni\n0.500000 0.500000 0.133520 Ni\n0.500000 0.000000 0.133520 Ni\n0.000000 0.500000 0.133520 Ni\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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{
"id": "mp-615821",
"created_at": "2022-09-04T14:44:20.348758Z",
"structure_string": "Ta9 Fe2 S6\n1.0\n5.177870 -8.968333 0.000000\n5.177870 8.968333 0.000000\n0.000000 0.000000 3.318322\nTa Fe S\n9 2 6\ndirect\n0.462965 0.262086 0.500000 Ta\n0.541508 0.541508 0.000000 Ta\n0.799121 0.537035 0.500000 Ta\n0.200879 0.737914 0.500000 Ta\n0.537035 0.799121 0.500000 Ta\n0.262086 0.462965 0.500000 Ta\n0.458492 0.000000 0.000000 Ta\n0.737914 0.200879 0.500000 Ta\n0.000000 0.458492 0.000000 Ta\n0.333333 0.666667 0.000000 Fe\n0.666667 0.333333 0.000000 Fe\n0.705741 0.000000 0.000000 S\n0.274826 0.000000 0.500000 S\n0.725174 0.725174 0.500000 S\n0.000000 0.274826 0.500000 S\n0.000000 0.705741 0.000000 S\n0.294259 0.294259 0.000000 S\n",
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{
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{
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{
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