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{
"id": "mp-1226546",
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{
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{
"id": "mp-1226154",
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"structure_string": "Fe8 Cu3 Te12 Cl10 O32\n1.0\n5.117305 0.000000 0.000000\n0.000000 10.215512 0.000000\n0.000000 0.000000 21.166453\nFe Cu Te Cl O\n8 3 12 10 32\ndirect\n0.247625 0.328875 0.271506 Fe\n0.247625 0.328875 0.728494 Fe\n0.247625 0.671125 0.271506 Fe\n0.247625 0.671125 0.728494 Fe\n0.757175 0.175285 0.227805 Fe\n0.757175 0.175285 0.772195 Fe\n0.757175 0.824715 0.227805 Fe\n0.757175 0.824715 0.772195 Fe\n0.069030 0.000000 0.500000 Cu\n0.907852 0.500000 0.000000 Cu\n0.555831 0.000000 0.500000 Cu\n0.296258 0.000000 0.311520 Te\n0.296258 0.000000 0.688480 Te\n0.702554 0.500000 0.184981 Te\n0.702554 0.500000 0.815019 Te\n0.747950 0.326403 0.387190 Te\n0.747950 0.326403 0.612810 Te\n0.747950 0.673597 0.387190 Te\n0.747950 0.673597 0.612810 Te\n0.250475 0.174199 0.110915 Te\n0.250475 0.174199 0.889085 Te\n0.250475 0.825801 0.110915 Te\n0.250475 0.825801 0.889085 Te\n0.916054 0.500000 0.500000 Cl\n0.085129 0.000000 0.000000 Cl\n0.316417 0.810066 0.500000 Cl\n0.316417 0.189934 0.500000 Cl\n0.723515 0.698274 0.000000 Cl\n0.723515 0.301726 0.000000 Cl\n0.825230 0.000000 0.407161 Cl\n0.825230 0.000000 0.592839 Cl\n0.151992 0.500000 0.094162 Cl\n0.151992 0.500000 0.905838 Cl\n0.580180 0.243734 0.313532 O\n0.580180 0.243734 0.686468 O\n0.580180 0.756266 0.313532 O\n0.580180 0.756266 0.686468 O\n0.428472 0.248586 0.185057 O\n0.428472 0.248586 0.814943 O\n0.428472 0.751414 0.185057 O\n0.428472 0.751414 0.814943 O\n0.604919 0.500000 0.366610 O\n0.604919 0.500000 0.633390 O\n0.392538 0.000000 0.130363 O\n0.392538 0.000000 0.869637 O\n0.589118 0.000000 0.251391 O\n0.589118 0.000000 0.748609 O\n0.410991 0.500000 0.246107 O\n0.410991 0.500000 0.753893 O\n0.095210 0.135125 0.273133 O\n0.095210 0.135125 0.726867 O\n0.095210 0.864875 0.273133 O\n0.095210 0.864875 0.726867 O\n0.894320 0.363947 0.225985 O\n0.894320 0.363947 0.774015 O\n0.894320 0.636053 0.225985 O\n0.894320 0.636053 0.774015 O\n0.084061 0.349168 0.356213 O\n0.084061 0.349168 0.643787 O\n0.084061 0.650832 0.356213 O\n0.084061 0.650832 0.643787 O\n0.918791 0.147707 0.145636 O\n0.918791 0.147707 0.854364 O\n0.918791 0.852293 0.145636 O\n0.918791 0.852293 0.854364 O\n",
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"spacegroup": 25
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{
"id": "mp-7798",
"created_at": "2022-09-04T14:44:20.265703Z",
"structure_string": "Mg4 Ge4 N8\n1.0\n5.225887 0.000000 0.000000\n0.000000 5.551219 0.000000\n0.000000 0.000000 6.667698\nMg Ge N\n4 4 8\ndirect\n0.000163 0.584850 0.876651 Mg\n0.500163 0.915150 0.376651 Mg\n0.500163 0.415150 0.123349 Mg\n0.000163 0.084850 0.623349 Mg\n0.007451 0.073351 0.125736 Ge\n0.507451 0.926649 0.874264 Ge\n0.507451 0.426649 0.625736 Ge\n0.007451 0.573351 0.374264 Ge\n0.405372 0.600606 0.856411 N\n0.905372 0.399394 0.143589 N\n0.905372 0.899394 0.356411 N\n0.405372 0.100606 0.643589 N\n0.367014 0.560096 0.393130 N\n0.367014 0.060096 0.106870 N\n0.867014 0.939904 0.893130 N\n0.867014 0.439904 0.606870 N\n",
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"density": 4.290918322364503,
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"volume": 193.4302070662467,
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"formula_full": "Mg4 Ge4 N8",
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"spacegroup": 33
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{
"id": "mp-676074",
"created_at": "2022-09-04T14:44:20.275449Z",
"structure_string": "Na4 Th2 F12\n1.0\n5.974158 3.412744 0.000000\n-5.974158 3.412744 0.000000\n0.000000 2.301521 6.590885\nNa Th F\n4 2 12\ndirect\n0.918815 0.081185 0.750000 Na\n0.243006 0.756994 0.750000 Na\n0.081185 0.918815 0.250000 Na\n0.756994 0.243006 0.250000 Na\n0.592730 0.407270 0.750000 Th\n0.407270 0.592730 0.250000 Th\n0.530465 0.684848 0.884197 F\n0.229753 0.066862 0.871340 F\n0.066862 0.229753 0.371340 F\n0.860993 0.371344 0.874063 F\n0.770247 0.933138 0.128660 F\n0.684848 0.530465 0.384197 F\n0.469535 0.315152 0.115803 F\n0.371344 0.860993 0.374063 F\n0.315152 0.469535 0.615803 F\n0.139007 0.628656 0.125937 F\n0.933138 0.770247 0.628660 F\n0.628656 0.139007 0.625937 F\n",
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{
"id": "mp-779712",
"created_at": "2022-09-04T14:44:20.279775Z",
"structure_string": "Ti34 N12 O48\n1.0\n9.662522 0.000000 0.000000\n0.000000 10.027940 0.000000\n0.000000 0.000000 11.488282\nTi N O\n34 12 48\ndirect\n0.114050 0.179512 0.000000 Ti\n0.386904 0.692618 0.000000 Ti\n0.114050 0.820488 0.000000 Ti\n0.051820 0.500000 0.000000 Ti\n0.386904 0.307382 0.000000 Ti\n0.887957 0.677849 0.166778 Ti\n0.606435 0.173203 0.162068 Ti\n0.887957 0.322151 0.166778 Ti\n0.945673 0.000000 0.165157 Ti\n0.606435 0.826797 0.162068 Ti\n0.551470 0.500000 0.162076 Ti\n0.054327 0.500000 0.334843 Ti\n0.112043 0.822151 0.333222 Ti\n0.393565 0.326797 0.337932 Ti\n0.393565 0.673203 0.337932 Ti\n0.112043 0.177849 0.333222 Ti\n0.448530 0.000000 0.337924 Ti\n0.885950 0.320488 0.500000 Ti\n0.948180 0.000000 0.500000 Ti\n0.613096 0.807382 0.500000 Ti\n0.613096 0.192618 0.500000 Ti\n0.885950 0.679512 0.500000 Ti\n0.393565 0.326797 0.662068 Ti\n0.112043 0.822151 0.666778 Ti\n0.112043 0.177849 0.666778 Ti\n0.448530 0.000000 0.662076 Ti\n0.054327 0.500000 0.665157 Ti\n0.393565 0.673203 0.662068 Ti\n0.887957 0.322151 0.833222 Ti\n0.551470 0.500000 0.837924 Ti\n0.606435 0.173203 0.837932 Ti\n0.887957 0.677849 0.833222 Ti\n0.945673 0.000000 0.834843 Ti\n0.606435 0.826797 0.837932 Ti\n0.016560 0.000000 0.000000 N\n0.477088 0.500000 0.000000 N\n0.981152 0.500000 0.167960 N\n0.529886 0.000000 0.181985 N\n0.018848 0.000000 0.332040 N\n0.470114 0.500000 0.318015 N\n0.983440 0.500000 0.500000 N\n0.522912 0.000000 0.500000 N\n0.018848 0.000000 0.667960 N\n0.470114 0.500000 0.681985 N\n0.529886 0.000000 0.818015 N\n0.981152 0.500000 0.832040 N\n0.933173 0.316130 0.000000 O\n0.293554 0.139963 0.000000 O\n0.199653 0.628439 0.000000 O\n0.574124 0.802498 0.000000 O\n0.293554 0.860037 0.000000 O\n0.933173 0.683870 0.000000 O\n0.199653 0.371561 0.000000 O\n0.574124 0.197502 0.000000 O\n0.798312 0.868760 0.166264 O\n0.798312 0.131240 0.166264 O\n0.440609 0.311554 0.164869 O\n0.061614 0.186559 0.166344 O\n0.061614 0.813441 0.166344 O\n0.440609 0.688446 0.164869 O\n0.703258 0.630284 0.168846 O\n0.703258 0.369716 0.168846 O\n0.938386 0.313441 0.333656 O\n0.938386 0.686559 0.333656 O\n0.201688 0.631240 0.333736 O\n0.296742 0.869716 0.331154 O\n0.201688 0.368760 0.333736 O\n0.559391 0.811554 0.335131 O\n0.296742 0.130284 0.331154 O\n0.559391 0.188446 0.335131 O\n0.066827 0.183870 0.500000 O\n0.066827 0.816130 0.500000 O\n0.425876 0.302498 0.500000 O\n0.706446 0.360037 0.500000 O\n0.800347 0.871561 0.500000 O\n0.800347 0.128439 0.500000 O\n0.425876 0.697502 0.500000 O\n0.706446 0.639963 0.500000 O\n0.938386 0.313441 0.666344 O\n0.201688 0.368760 0.666264 O\n0.296742 0.130284 0.668846 O\n0.296742 0.869716 0.668846 O\n0.559391 0.188446 0.664869 O\n0.559391 0.811554 0.664869 O\n0.938386 0.686559 0.666344 O\n0.201688 0.631240 0.666264 O\n0.440609 0.311554 0.835131 O\n0.440609 0.688446 0.835131 O\n0.703258 0.369716 0.831154 O\n0.703258 0.630284 0.831154 O\n0.798312 0.868760 0.833736 O\n0.798312 0.131240 0.833736 O\n0.061614 0.186559 0.833656 O\n0.061614 0.813441 0.833656 O\n",
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{
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"structure_string": "Ba1 Ga1 Sn1 H1\n1.0\n2.304672 -3.991809 0.000000\n2.304672 3.991809 0.000000\n0.000000 0.000000 5.398081\nBa Ga Sn H\n1 1 1 1\ndirect\n0.333333 0.666667 0.000150 Ba\n0.000000 0.000000 0.586706 Ga\n0.666667 0.333333 0.459253 Sn\n0.000000 0.000000 0.910192 H\n",
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{
"id": "mp-1038678",
"created_at": "2022-09-04T14:44:20.417295Z",
"structure_string": "Sr1 Mg30 Bi1 O32\n1.0\n8.703109 0.000000 0.000000\n0.000000 8.703109 0.000000\n0.000000 0.000000 8.709836\nSr Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248167 0.248167 0.000000 Mg\n0.248167 0.751833 0.000000 Mg\n0.751833 0.248167 0.000000 Mg\n0.751833 0.751833 0.000000 Mg\n0.249740 0.249740 0.500000 Mg\n0.249740 0.750260 0.500000 Mg\n0.750260 0.249740 0.500000 Mg\n0.750260 0.750260 0.500000 Mg\n0.000000 0.254280 0.255429 Mg\n0.000000 0.745720 0.255429 Mg\n0.500000 0.243801 0.256900 Mg\n0.500000 0.756199 0.256900 Mg\n0.000000 0.254280 0.744571 Mg\n0.000000 0.745720 0.744571 Mg\n0.500000 0.243801 0.743100 Mg\n0.500000 0.756199 0.743100 Mg\n0.254280 0.000000 0.255429 Mg\n0.243801 0.500000 0.256900 Mg\n0.745720 0.000000 0.255429 Mg\n0.756199 0.500000 0.256900 Mg\n0.254280 0.000000 0.744571 Mg\n0.243801 0.500000 0.743100 Mg\n0.745720 0.000000 0.744571 Mg\n0.756199 0.500000 0.743100 Mg\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.269777 O\n0.000000 0.500000 0.255073 O\n0.500000 0.000000 0.255073 O\n0.500000 0.500000 0.270012 O\n0.000000 0.000000 0.730223 O\n0.000000 0.500000 0.744927 O\n0.500000 0.000000 0.744927 O\n0.500000 0.500000 0.729988 O\n0.250586 0.250586 0.248181 O\n0.250586 0.749414 0.248181 O\n0.749414 0.250586 0.248181 O\n0.749414 0.749414 0.248181 O\n0.250586 0.250586 0.751819 O\n0.250586 0.749414 0.751819 O\n0.749414 0.250586 0.751819 O\n0.749414 0.749414 0.751819 O\n0.000000 0.268015 0.000000 O\n0.000000 0.731985 0.000000 O\n0.500000 0.234089 0.000000 O\n0.500000 0.765911 0.000000 O\n0.000000 0.253361 0.500000 O\n0.000000 0.746639 0.500000 O\n0.500000 0.247526 0.500000 O\n0.500000 0.752474 0.500000 O\n0.268015 0.000000 0.000000 O\n0.234089 0.500000 0.000000 O\n0.731985 0.000000 0.000000 O\n0.765911 0.500000 0.000000 O\n0.253361 0.000000 0.500000 O\n0.247526 0.500000 0.500000 O\n0.746639 0.000000 0.500000 O\n0.752474 0.500000 0.500000 O\n",
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