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{
"id": "mp-569881",
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{
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"nsites": 40,
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"volume": 346.3773559848653,
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"formula_full": "Al16 O24",
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"spacegroup": 61
},
{
"id": "mp-753709",
"created_at": "2022-09-04T14:44:55.368795Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n7.573148 5.262162 0.000000\n-7.573148 5.262162 0.000000\n0.000000 4.354911 6.433319\nBa Ca I\n2 2 8\ndirect\n0.634578 0.365422 0.750000 Ba\n0.365422 0.634578 0.250000 Ba\n0.002399 0.997601 0.250000 Ca\n0.997601 0.002399 0.750000 Ca\n0.647865 0.770834 0.718824 I\n0.941709 0.284261 0.420549 I\n0.229166 0.352135 0.781176 I\n0.715739 0.058291 0.079451 I\n0.284261 0.941709 0.920549 I\n0.770834 0.647865 0.218824 I\n0.058291 0.715739 0.579451 I\n0.352135 0.229166 0.281176 I\n",
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"density": 4.436887630416434,
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"formula_full": "Ba2 Ca2 I8",
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},
{
"id": "mp-770647",
"created_at": "2022-09-04T14:44:55.369866Z",
"structure_string": "Li4 Si2 Sn2 C2 O14\n1.0\n6.568079 0.000000 0.000000\n0.000000 5.113579 0.000000\n0.000000 0.327125 8.661341\nLi Si Sn C O\n4 2 2 2 14\ndirect\n0.502652 0.779743 0.782978 Li\n0.997348 0.779743 0.782978 Li\n0.497348 0.220257 0.217022 Li\n0.002652 0.220257 0.217022 Li\n0.750000 0.287138 0.580162 Si\n0.250000 0.712862 0.419838 Si\n0.250000 0.205511 0.646334 Sn\n0.750000 0.794489 0.353666 Sn\n0.250000 0.265721 0.945794 C\n0.750000 0.734279 0.054206 C\n0.750000 0.697271 0.911229 O\n0.250000 0.032763 0.886773 O\n0.250000 0.464016 0.840822 O\n0.946210 0.173635 0.676506 O\n0.553790 0.173635 0.676506 O\n0.250000 0.812056 0.599387 O\n0.750000 0.611409 0.566131 O\n0.250000 0.388591 0.433869 O\n0.750000 0.187944 0.400613 O\n0.446210 0.826365 0.323494 O\n0.053790 0.826365 0.323494 O\n0.750000 0.535984 0.159178 O\n0.750000 0.967237 0.113227 O\n0.250000 0.302729 0.088771 O\n",
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"formula_full": "Li4 Si2 Sn2 C2 O14",
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},
{
"id": "mp-1175827",
"created_at": "2022-09-04T14:44:55.392372Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.899145 0.000000 0.000000\n-1.456733 -6.331295 0.000000\n-1.193482 0.137875 -7.679431\nLi Mn Co O\n9 2 5 16\ndirect\n0.126386 0.115731 0.373393 Li\n0.626570 0.628220 0.875503 Li\n0.353948 0.870210 0.605451 Li\n0.897104 0.383118 0.139148 Li\n0.616492 0.119063 0.368268 Li\n0.131599 0.628047 0.882437 Li\n0.871737 0.870239 0.621932 Li\n0.374407 0.384341 0.134277 Li\n0.249101 0.748670 0.248015 Li\n0.007366 0.001401 0.006066 Mn\n0.246205 0.249447 0.748202 Mn\n0.497643 0.508546 0.492185 Co\n0.748523 0.249680 0.750492 Co\n0.501316 0.998264 0.003554 Co\n0.003924 0.505412 0.489009 Co\n0.753286 0.749114 0.249472 Co\n0.830002 0.060255 0.179644 O\n0.304588 0.543923 0.686147 O\n0.041485 0.800486 0.434073 O\n0.540964 0.288777 0.914183 O\n0.301997 0.054780 0.161122 O\n0.801644 0.533998 0.678111 O\n0.568075 0.798665 0.441051 O\n0.074532 0.298970 0.933899 O\n0.422834 0.195079 0.571380 O\n0.935539 0.709026 0.059859 O\n0.709588 0.963987 0.836593 O\n0.187436 0.434744 0.328277 O\n0.949881 0.199165 0.589781 O\n0.459385 0.713748 0.066886 O\n0.175267 0.954826 0.816848 O\n0.691174 0.440069 0.314739 O\n",
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],
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"density": 4.185791690399932,
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
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{
"id": "mp-5916",
"created_at": "2022-09-04T14:44:55.409595Z",
"structure_string": "Yb1 Si2 Ni2\n1.0\n-1.993703 1.993703 4.739445\n1.993703 -1.993703 4.739445\n1.993703 1.993703 -4.739445\nYb Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.629288 0.629288 0.000000 Si\n0.370712 0.370712 0.000000 Si\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
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"spacegroup": 139
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{
"id": "mp-1208427",
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"structure_string": "Tm6 Cu40 Sb22\n1.0\n0.000000 8.420368 8.420368\n8.420368 0.000000 8.420368\n8.420368 8.420368 0.000000\nTm Cu Sb\n6 40 22\ndirect\n0.493077 0.006923 0.006923 Tm\n0.006923 0.493077 0.493077 Tm\n0.006923 0.493077 0.006923 Tm\n0.493077 0.006923 0.493077 Tm\n0.006923 0.006923 0.493077 Tm\n0.493077 0.493077 0.006923 Tm\n0.698735 0.698735 0.698735 Cu\n0.698735 0.698735 0.903795 Cu\n0.698735 0.903795 0.698735 Cu\n0.903795 0.698735 0.698735 Cu\n0.502804 0.502804 0.725689 Cu\n0.502804 0.502804 0.268703 Cu\n0.725689 0.268703 0.502804 Cu\n0.725689 0.502804 0.502804 Cu\n0.268703 0.725689 0.502804 Cu\n0.268703 0.502804 0.502804 Cu\n0.502804 0.725689 0.268703 Cu\n0.502804 0.268703 0.725689 Cu\n0.502804 0.725689 0.502804 Cu\n0.268703 0.502804 0.725689 Cu\n0.725689 0.502804 0.268703 Cu\n0.502804 0.268703 0.502804 Cu\n0.250443 0.250443 0.870096 Cu\n0.250443 0.250443 0.629018 Cu\n0.870096 0.629018 0.250443 Cu\n0.870096 0.250443 0.250443 Cu\n0.629018 0.870096 0.250443 Cu\n0.629018 0.250443 0.250443 Cu\n0.250443 0.870096 0.629018 Cu\n0.250443 0.629018 0.870096 Cu\n0.250443 0.870096 0.250443 Cu\n0.629018 0.250443 0.870096 Cu\n0.870096 0.250443 0.629018 Cu\n0.250443 0.629018 0.250443 Cu\n0.997328 0.997328 0.232653 Cu\n0.997328 0.997328 0.772691 Cu\n0.232653 0.772691 0.997328 Cu\n0.232653 0.997328 0.997328 Cu\n0.772691 0.232653 0.997328 Cu\n0.772691 0.997328 0.997328 Cu\n0.997328 0.232653 0.772691 Cu\n0.997328 0.772691 0.232653 Cu\n0.997328 0.232653 0.997328 Cu\n0.772691 0.997328 0.232653 Cu\n0.232653 0.997328 0.772691 Cu\n0.997328 0.772691 0.997328 Cu\n0.351490 0.351490 0.351490 Sb\n0.351490 0.351490 0.945531 Sb\n0.351490 0.945531 0.351490 Sb\n0.945531 0.351490 0.351490 Sb\n0.750426 0.750426 0.436428 Sb\n0.750426 0.750426 0.062721 Sb\n0.436428 0.062721 0.750426 Sb\n0.436428 0.750426 0.750426 Sb\n0.062721 0.436428 0.750426 Sb\n0.062721 0.750426 0.750426 Sb\n0.750426 0.436428 0.062721 Sb\n0.750426 0.062721 0.436428 Sb\n0.750426 0.436428 0.750426 Sb\n0.062721 0.750426 0.436428 Sb\n0.436428 0.750426 0.062721 Sb\n0.750426 0.062721 0.750426 Sb\n0.000000 0.000000 0.000000 Sb\n0.149379 0.149379 0.149379 Sb\n0.149379 0.149379 0.551863 Sb\n0.149379 0.551863 0.149379 Sb\n0.551863 0.149379 0.149379 Sb\n0.500000 0.500000 0.500000 Sb\n",
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{
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