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{
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{
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},
{
"id": "mp-1163950",
"created_at": "2022-09-04T14:43:55.389245Z",
"structure_string": "Zn12 Si12 W8 O48\n1.0\n-6.068668 6.068668 6.068668\n6.068668 -6.068668 6.068668\n6.068668 6.068668 -6.068668\nZn Si W O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Zn\n0.750000 0.125000 0.375000 Zn\n0.375000 0.125000 0.250000 Zn\n0.125000 0.375000 0.750000 Zn\n0.250000 0.875000 0.625000 Zn\n0.125000 0.250000 0.375000 Zn\n0.625000 0.250000 0.875000 Zn\n0.750000 0.625000 0.875000 Zn\n0.875000 0.750000 0.625000 Zn\n0.875000 0.625000 0.250000 Zn\n0.625000 0.875000 0.750000 Zn\n0.375000 0.750000 0.125000 Zn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.592717 0.893771 0.373241 O\n0.373241 0.592717 0.893771 O\n0.280524 0.301054 0.907283 O\n0.479470 0.606229 0.198946 O\n0.301054 0.893771 0.020530 O\n0.126759 0.020530 0.219476 O\n0.373241 0.280524 0.479470 O\n0.893771 0.373241 0.592717 O\n0.198946 0.219476 0.592717 O\n0.479470 0.373241 0.280524 O\n0.893771 0.020530 0.301054 O\n0.606229 0.907283 0.126759 O\n0.907283 0.126759 0.606229 O\n0.280524 0.479470 0.373241 O\n0.592717 0.198946 0.219476 O\n0.219476 0.592717 0.198946 O\n0.020530 0.301054 0.893771 O\n0.907283 0.280524 0.301054 O\n0.020530 0.219476 0.126759 O\n0.801054 0.780524 0.407283 O\n0.198946 0.479470 0.606229 O\n0.606229 0.198946 0.479470 O\n0.219476 0.126759 0.020530 O\n0.126759 0.606229 0.907283 O\n0.407283 0.106229 0.626759 O\n0.626759 0.407283 0.106229 O\n0.719476 0.698946 0.092717 O\n0.520530 0.393771 0.801054 O\n0.698946 0.106229 0.979470 O\n0.873241 0.979470 0.780524 O\n0.626759 0.719476 0.520530 O\n0.106229 0.626759 0.407283 O\n0.873241 0.393771 0.092717 O\n0.780524 0.873241 0.979470 O\n0.393771 0.801054 0.520530 O\n0.698946 0.092717 0.719476 O\n0.801054 0.520530 0.393771 O\n0.979470 0.780524 0.873241 O\n0.092717 0.719476 0.698946 O\n0.979470 0.698946 0.106229 O\n0.780524 0.407283 0.801054 O\n0.407283 0.801054 0.780524 O\n0.719476 0.520530 0.626759 O\n0.092717 0.873241 0.393771 O\n0.393771 0.092717 0.873241 O\n0.106229 0.979470 0.698946 O\n0.520530 0.626759 0.719476 O\n0.301054 0.907283 0.280524 O\n",
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],
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"volume": 894.005372343423,
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"formula_full": "Zn12 Si12 W8 O48",
"formula_reduced": "Zn3Si3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"energy": -601.61383335,
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"spacegroup": 230
},
{
"id": "mp-758428",
"created_at": "2022-09-04T14:44:02.158912Z",
"structure_string": "Ti6 Nb2 O16\n1.0\n-4.725108 0.000000 0.000000\n-0.003226 -6.008962 0.000000\n0.077941 3.003774 9.446031\nTi Nb O\n6 2 16\ndirect\n0.495522 0.376737 0.246725 Ti\n0.504478 0.623263 0.753275 Ti\n0.000000 0.500000 0.000000 Ti\n0.998065 0.262183 0.502955 Ti\n0.000000 0.000000 0.000000 Ti\n0.001935 0.737817 0.497045 Ti\n0.497473 0.120113 0.748117 Nb\n0.502527 0.879887 0.251883 Nb\n0.805524 0.954083 0.404415 O\n0.804192 0.453893 0.403099 O\n0.807599 0.203059 0.902596 O\n0.802376 0.701135 0.902975 O\n0.696860 0.079980 0.150461 O\n0.696687 0.822512 0.650572 O\n0.701043 0.574429 0.153165 O\n0.694339 0.327934 0.650224 O\n0.303313 0.177488 0.349428 O\n0.298957 0.425571 0.846835 O\n0.303140 0.920020 0.849539 O\n0.305661 0.672066 0.349776 O\n0.194476 0.045917 0.595585 O\n0.195808 0.546107 0.596901 O\n0.197624 0.298865 0.097025 O\n0.192401 0.796941 0.097404 O\n",
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},
{
"id": "mp-28649",
"created_at": "2022-09-04T14:42:44.175006Z",
"structure_string": "Na1 Ti8 O13\n1.0\n5.205240 -3.887334 0.000000\n5.205240 3.887334 0.000000\n2.302134 0.000000 6.075036\nNa Ti O\n1 8 13\ndirect\n0.500000 0.500000 0.500000 Na\n0.683537 0.124711 0.949038 Ti\n0.949038 0.683537 0.124711 Ti\n0.124711 0.949038 0.683537 Ti\n0.316463 0.875289 0.050962 Ti\n0.050962 0.316463 0.875289 Ti\n0.875289 0.050962 0.316463 Ti\n0.271335 0.271335 0.271335 Ti\n0.728665 0.728665 0.728665 Ti\n0.000000 0.000000 0.000000 O\n0.177481 0.264896 0.578639 O\n0.578639 0.177481 0.264896 O\n0.264896 0.578639 0.177481 O\n0.822519 0.735104 0.421361 O\n0.421361 0.822519 0.735104 O\n0.735104 0.421361 0.822519 O\n0.356945 0.205918 0.952127 O\n0.952127 0.356945 0.205918 O\n0.205918 0.952127 0.356945 O\n0.643055 0.794082 0.047873 O\n0.047873 0.643055 0.794082 O\n0.794082 0.047873 0.643055 O\n",
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{
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"created_at": "2022-09-04T14:40:55.632331Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n3.047428 5.265520 0.000000\n-3.047428 5.265520 0.000000\n0.000000 0.190474 9.749914\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.673852 0.673852 0.884953 Li\n0.983047 0.983047 0.995516 Li\n0.985700 0.985700 0.501539 Li\n0.339600 0.339600 0.394687 Li\n0.831851 0.831851 0.217853 Fe\n0.662247 0.170836 0.715179 Fe\n0.170836 0.662247 0.715179 Fe\n0.665924 0.665924 0.492777 Ni\n0.332379 0.332379 0.988001 Ni\n0.832346 0.339162 0.213789 Sn\n0.339162 0.832346 0.213789 Sn\n0.169980 0.169980 0.712245 Sn\n0.831887 0.314253 0.600182 O\n0.519160 0.519160 0.342157 O\n0.671020 0.671020 0.096033 O\n0.999841 0.999841 0.319508 O\n0.996666 0.996666 0.813888 O\n0.314253 0.831887 0.600182 O\n0.966911 0.531655 0.335209 O\n0.531655 0.966911 0.335209 O\n0.157469 0.157469 0.091905 O\n0.835633 0.835633 0.612929 O\n0.492481 0.041324 0.836014 O\n0.041324 0.492481 0.836014 O\n0.338794 0.338794 0.600178 O\n0.679037 0.147364 0.106159 O\n0.482608 0.482608 0.830679 O\n0.147364 0.679037 0.106159 O\n",
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{
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{
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"structure_string": "Li4 Ti3 Mn3 Sn2 O16\n1.0\n2.974053 5.346652 0.000000\n-2.974053 5.346652 0.000000\n0.000000 0.422715 9.838669\nLi Ti Mn Sn O\n4 3 3 2 16\ndirect\n0.660130 0.660130 0.104961 Li\n0.998017 0.998017 0.008793 Li\n0.004791 0.004791 0.507507 Li\n0.332235 0.332235 0.604553 Li\n0.168232 0.168232 0.281927 Ti\n0.340247 0.833785 0.785524 Ti\n0.833785 0.340247 0.785524 Ti\n0.830880 0.830880 0.786208 Mn\n0.167876 0.660091 0.287824 Mn\n0.660091 0.167876 0.287824 Mn\n0.670600 0.670600 0.508812 Sn\n0.334614 0.334614 0.010427 Sn\n0.335247 0.853597 0.399721 O\n0.518528 0.518528 0.665789 O\n0.650028 0.650028 0.894229 O\n0.011970 0.011970 0.692789 O\n0.000335 0.000335 0.196341 O\n0.853597 0.335247 0.399721 O\n0.499255 0.962426 0.656501 O\n0.962426 0.499255 0.656501 O\n0.165227 0.165227 0.894460 O\n0.846352 0.846352 0.405350 O\n0.028272 0.465858 0.155882 O\n0.465858 0.028272 0.155882 O\n0.330898 0.330898 0.387677 O\n0.175996 0.677897 0.903454 O\n0.476559 0.476559 0.164520 O\n0.677897 0.175996 0.903454 O\n",
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{
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{
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{
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{
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]
}