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{
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{
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"structure_string": "Sr2 Zn3 Cd1\n1.0\n2.452100 5.572420 0.000000\n-2.452100 5.572420 0.000000\n0.000000 5.489036 5.624397\nSr Zn Cd\n2 3 1\ndirect\n0.448264 0.448264 0.801721 Sr\n0.549729 0.549729 0.199466 Sr\n0.174470 0.174470 0.394667 Zn\n0.154635 0.154635 0.782882 Zn\n0.836024 0.836024 0.220414 Zn\n0.836878 0.836878 0.600850 Cd\n",
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"formula_full": "Sr2 Zn3 Cd1",
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{
"id": "mp-866951",
"created_at": "2022-09-04T14:47:59.859198Z",
"structure_string": "Ca3 Sn3 S9\n1.0\n9.629828 -3.381397 0.000000\n9.629828 3.381397 0.000000\n8.442491 0.000000 5.735135\nCa Sn S\n3 3 9\ndirect\n0.000000 0.000000 0.000000 Ca\n0.783256 0.783256 0.783256 Ca\n0.216744 0.216744 0.216744 Ca\n0.500000 0.500000 0.500000 Sn\n0.610403 0.610403 0.610403 Sn\n0.389597 0.389597 0.389597 Sn\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.728508 0.728508 0.207881 S\n0.207881 0.728508 0.728508 S\n0.728508 0.207881 0.728508 S\n0.271492 0.271492 0.792119 S\n0.792119 0.271492 0.271492 S\n0.271492 0.792119 0.271492 S\n",
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{
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"created_at": "2022-09-04T14:47:59.890610Z",
"structure_string": "Tm8 Cl16\n1.0\n6.215128 0.000000 0.000000\n0.000000 7.197731 0.000000\n0.000000 0.000000 12.217897\nTm Cl\n8 16\ndirect\n0.319063 0.045886 0.402496 Tm\n0.819063 0.954114 0.097504 Tm\n0.180937 0.545886 0.597504 Tm\n0.680937 0.454114 0.902496 Tm\n0.680937 0.954114 0.597504 Tm\n0.180937 0.045886 0.902496 Tm\n0.819063 0.454114 0.402496 Tm\n0.319063 0.545886 0.097504 Tm\n0.021416 0.205734 0.543570 Cl\n0.521416 0.794266 0.956430 Cl\n0.478584 0.705734 0.456430 Cl\n0.978584 0.294266 0.043570 Cl\n0.978584 0.794266 0.456430 Cl\n0.478584 0.205734 0.043570 Cl\n0.521416 0.294266 0.543570 Cl\n0.021416 0.705734 0.956430 Cl\n0.193582 0.874422 0.207504 Cl\n0.693582 0.125578 0.292496 Cl\n0.306418 0.374422 0.792496 Cl\n0.806418 0.625578 0.707504 Cl\n0.806418 0.125578 0.792496 Cl\n0.306418 0.874422 0.707504 Cl\n0.693582 0.625578 0.207504 Cl\n0.193582 0.374422 0.292496 Cl\n",
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"elements": [
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"volume": 546.565416653866,
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"formula_full": "Tm8 Cl16",
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"spacegroup": 61
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{
"id": "mp-1032858",
"created_at": "2022-09-04T14:47:59.921924Z",
"structure_string": "Y1 Mg6 Si1 O8\n1.0\n8.971569 0.000000 -0.000000\n0.000000 4.494238 -0.000000\n0.000000 0.000000 4.494238\nY Mg Si O\n1 6 1 8\ndirect\n-0.000000 -0.000000 0.000000 Y\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.264455 -0.000000 0.500000 Mg\n0.735545 0.000000 0.500000 Mg\n0.264455 0.500000 0.000000 Mg\n0.735545 0.500000 -0.000000 Mg\n0.500000 -0.000000 0.000000 Si\n0.250761 0.000000 -0.000000 O\n0.749239 -0.000000 0.000000 O\n0.257344 0.500000 0.500000 O\n0.742656 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Y1 Mg6 Si1 O8",
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{
"id": "mp-1104364",
"created_at": "2022-09-04T14:47:59.927928Z",
"structure_string": "Cd2 Br4 O8\n1.0\n3.735596 0.000000 0.000000\n0.000000 7.554935 0.000000\n0.000000 0.000000 8.898071\nCd Br O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.778477 0.392419 Br\n0.000000 0.221523 0.607581 Br\n0.500000 0.721523 0.892419 Br\n0.500000 0.278477 0.107581 Br\n0.500000 0.277305 0.347414 O\n0.500000 0.722695 0.652586 O\n0.000000 0.222695 0.847414 O\n0.000000 0.777305 0.152586 O\n0.500000 0.723892 0.113880 O\n0.500000 0.276108 0.886120 O\n0.000000 0.776108 0.613880 O\n0.000000 0.223892 0.386120 O\n",
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{
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{
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},
{
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"structure_string": "Cs4 Nb2 Ag2 S8\n1.0\n0.000000 7.256399 12.590333\n2.998090 0.000000 12.590333\n2.998090 7.256399 0.000000\nCs Nb Ag S\n4 2 2 8\ndirect\n0.821436 0.821436 0.178564 Cs\n0.178564 0.178564 0.821436 Cs\n0.428564 0.428564 0.071436 Cs\n0.071436 0.071436 0.428564 Cs\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Ag\n0.743528 0.363190 0.067474 S\n0.424191 0.182526 0.886810 S\n0.886810 0.506472 0.424191 S\n0.182526 0.424191 0.506472 S\n0.067474 0.825809 0.743528 S\n0.363190 0.743528 0.825809 S\n0.506472 0.886810 0.182526 S\n0.825809 0.067474 0.363190 S\n",
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"formula_full": "Cs4 Nb2 Ag2 S8",
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},
{
"id": "mp-1221844",
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"structure_string": "Na4 Ca2 Pb6 C10 O30\n1.0\n9.285580 5.330045 0.000000\n-9.285580 5.330045 0.000000\n0.000000 0.111226 6.718069\nNa Ca Pb C O\n4 2 6 10 30\ndirect\n0.477098 0.523962 0.181793 Na\n0.476209 0.951119 0.180723 Na\n0.523962 0.477098 0.681793 Na\n0.951119 0.476209 0.680723 Na\n0.045933 0.523079 0.174807 Ca\n0.523079 0.045933 0.674807 Ca\n0.151526 0.841678 0.498176 Pb\n0.163387 0.316064 0.505981 Pb\n0.682861 0.832561 0.496594 Pb\n0.841678 0.151526 0.998176 Pb\n0.832561 0.682861 0.996594 Pb\n0.316064 0.163387 0.005981 Pb\n0.668442 0.332637 0.997179 C\n0.332637 0.668442 0.497179 C\n0.000177 0.000719 0.653405 C\n0.000719 0.000177 0.153405 C\n0.205855 0.795310 0.949715 C\n0.203497 0.409285 0.951575 C\n0.590445 0.796817 0.949648 C\n0.795310 0.205855 0.449715 C\n0.796817 0.590445 0.449648 C\n0.409285 0.203497 0.451575 C\n0.085762 0.388551 0.863364 O\n0.618253 0.706890 0.854097 O\n0.299303 0.913594 0.854856 O\n0.088277 0.699899 0.861131 O\n0.613072 0.915122 0.854021 O\n0.293343 0.381391 0.857232 O\n0.915122 0.613072 0.354021 O\n0.381391 0.293343 0.357232 O\n0.699899 0.088277 0.361131 O\n0.913594 0.299303 0.354856 O\n0.388551 0.085762 0.363364 O\n0.706890 0.618253 0.354097 O\n0.598498 0.402390 0.001266 O\n0.597829 0.191355 0.985769 O\n0.809497 0.402823 0.005312 O\n0.402390 0.598498 0.501266 O\n0.402823 0.809497 0.505312 O\n0.191355 0.597829 0.485769 O\n0.070569 0.930243 0.152867 O\n0.070860 0.140907 0.149545 O\n0.859773 0.929828 0.148394 O\n0.930243 0.070569 0.652867 O\n0.929828 0.859773 0.648394 O\n0.140907 0.070860 0.649545 O\n0.228944 0.771089 0.129535 O\n0.228718 0.458347 0.129632 O\n0.543928 0.772284 0.128183 O\n0.771089 0.228944 0.629535 O\n0.772284 0.543928 0.628183 O\n0.458347 0.228718 0.629632 O\n",
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]
}