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{
"id": "mp-699464",
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"formula_full": "Ca12 Be8 Si12 H8 O48",
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"spacegroup": 86
},
{
"id": "mp-1027714",
"created_at": "2022-09-04T14:39:10.323228Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n1.626731 -2.817581 0.000000\n1.626731 2.817581 0.000000\n0.000000 0.000000 36.860572\nMo W Se S\n3 1 4 4\ndirect\n0.333333 0.666667 0.093898 Mo\n0.333333 0.666667 0.469662 Mo\n0.666667 0.333333 0.281821 Mo\n0.666667 0.333333 0.657539 W\n0.333333 0.666667 0.327859 Se\n0.666667 0.333333 0.047813 Se\n0.666667 0.333333 0.139999 Se\n0.333333 0.666667 0.235741 Se\n0.333333 0.666667 0.699571 S\n0.666667 0.333333 0.427769 S\n0.666667 0.333333 0.511577 S\n0.333333 0.666667 0.615499 S\n",
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"formula_full": "Mo3 W1 Se4 S4",
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{
"id": "mp-1351744",
"created_at": "2022-09-04T14:39:10.530719Z",
"structure_string": "Ca4 Cr8 Cu8 O32\n1.0\n8.677536 0.000000 0.000000\n0.000000 6.648789 0.000000\n0.000000 0.651324 12.323233\nCa Cr Cu O\n4 8 8 32\ndirect\n0.167486 0.128161 0.043485 Ca\n0.832514 0.871839 0.956515 Ca\n0.667486 0.871839 0.456515 Ca\n0.332514 0.128161 0.543485 Ca\n0.461987 0.099619 0.845370 Cr\n0.038013 0.099619 0.345370 Cr\n0.084927 0.606087 0.136364 Cr\n0.961987 0.900381 0.654630 Cr\n0.915073 0.393913 0.863636 Cr\n0.584927 0.393913 0.363636 Cr\n0.415073 0.606087 0.636364 Cr\n0.538013 0.900381 0.154630 Cr\n0.184886 0.761333 0.857116 Cu\n0.049497 0.392032 0.628693 Cu\n0.950503 0.607968 0.371307 Cu\n0.815114 0.238667 0.142884 Cu\n0.315114 0.761333 0.357116 Cu\n0.450503 0.392032 0.128693 Cu\n0.684886 0.238667 0.642884 Cu\n0.549497 0.607968 0.871307 Cu\n0.219806 0.023982 0.381419 O\n0.000944 0.680120 0.599639 O\n0.580634 0.199214 0.461302 O\n0.080634 0.800786 0.038698 O\n0.280194 0.023982 0.881419 O\n0.780194 0.976018 0.618581 O\n0.085806 0.088277 0.613155 O\n0.908804 0.503390 0.135272 O\n0.591196 0.503390 0.635272 O\n0.875761 0.320306 0.736636 O\n0.375761 0.679694 0.763364 O\n0.091196 0.496610 0.864728 O\n0.914194 0.911723 0.386845 O\n0.523159 0.870978 0.290811 O\n0.276342 0.441419 0.601333 O\n0.223658 0.441419 0.101333 O\n0.023159 0.129022 0.209189 O\n0.408804 0.496610 0.364728 O\n0.476841 0.129022 0.709189 O\n0.419366 0.800786 0.538698 O\n0.499056 0.680120 0.099639 O\n0.124239 0.679694 0.263364 O\n0.719806 0.976018 0.118581 O\n0.414194 0.088277 0.113155 O\n0.919366 0.199214 0.961302 O\n0.776342 0.558581 0.898667 O\n0.999056 0.319880 0.400361 O\n0.500944 0.319880 0.900361 O\n0.585806 0.911723 0.886845 O\n0.723658 0.558581 0.398667 O\n0.624239 0.320306 0.236636 O\n0.976841 0.870978 0.790811 O\n",
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"formula_full": "Ca4 Cr8 Cu8 O32",
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{
"id": "mp-12362",
"created_at": "2022-09-04T14:39:10.509416Z",
"structure_string": "Ag2 Hg6 Sb2 O12\n1.0\n5.136512 -4.949225 0.000000\n5.136512 4.949225 0.000000\n0.367745 0.000000 7.123437\nAg Hg Sb O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.402690 0.750000 0.097310 Hg\n0.097310 0.402690 0.750000 Hg\n0.597310 0.250000 0.902690 Hg\n0.902690 0.597310 0.250000 Hg\n0.750000 0.097310 0.402690 Hg\n0.250000 0.902690 0.597310 Hg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.500886 0.785135 0.496342 O\n0.496342 0.500886 0.785135 O\n0.785135 0.496342 0.500886 O\n0.999114 0.003658 0.714865 O\n0.714865 0.999114 0.003658 O\n0.003658 0.714865 0.999114 O\n0.499114 0.214865 0.503658 O\n0.503658 0.499114 0.214865 O\n0.214865 0.503658 0.499114 O\n0.000886 0.996342 0.285135 O\n0.996342 0.285135 0.000886 O\n0.285135 0.000886 0.996342 O\n",
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{
"id": "mp-653454",
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"structure_string": "K8 Zn4 Cl16\n1.0\n7.400523 0.000000 0.000000\n0.000000 9.052071 0.000000\n0.000000 0.000000 12.745118\nK Zn Cl\n8 4 16\ndirect\n0.250000 0.632387 0.584880 K\n0.750000 0.005060 0.685932 K\n0.750000 0.867613 0.084880 K\n0.750000 0.367613 0.415120 K\n0.250000 0.132387 0.915120 K\n0.250000 0.994940 0.314068 K\n0.750000 0.505060 0.814068 K\n0.250000 0.494940 0.185932 K\n0.250000 0.218628 0.580995 Zn\n0.250000 0.718628 0.919005 Zn\n0.750000 0.781372 0.419005 Zn\n0.750000 0.281372 0.080995 Zn\n0.501017 0.696414 0.331378 Cl\n0.498983 0.303586 0.668622 Cl\n0.250000 0.333273 0.419311 Cl\n0.001017 0.303586 0.668622 Cl\n0.750000 0.529625 0.065540 Cl\n0.998983 0.696414 0.331378 Cl\n0.250000 0.470375 0.934460 Cl\n0.001017 0.803586 0.831378 Cl\n0.998983 0.196414 0.168622 Cl\n0.750000 0.166727 0.919311 Cl\n0.750000 0.666727 0.580689 Cl\n0.750000 0.029625 0.434460 Cl\n0.498983 0.803586 0.831378 Cl\n0.250000 0.833273 0.080689 Cl\n0.250000 0.970375 0.565540 Cl\n0.501017 0.196414 0.168622 Cl\n",
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{
"id": "mp-1040361",
"created_at": "2022-09-04T14:39:10.732897Z",
"structure_string": "Li1 Mg30 Ti1 O32\n1.0\n8.523098 0.000000 0.000000\n0.000000 8.523098 0.000000\n0.000000 0.000000 8.491136\nLi Mg Ti O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255399 0.255399 0.000000 Mg\n0.744601 0.255399 0.000000 Mg\n0.255399 0.744601 0.000000 Mg\n0.744601 0.744601 0.000000 Mg\n0.251569 0.251569 0.500000 Mg\n0.748431 0.251569 0.500000 Mg\n0.251569 0.748431 0.500000 Mg\n0.748431 0.748431 0.500000 Mg\n0.254811 0.000000 0.251377 Mg\n0.745189 0.000000 0.251377 Mg\n0.254154 0.500000 0.246999 Mg\n0.745846 0.500000 0.246999 Mg\n0.254811 0.000000 0.748623 Mg\n0.745189 0.000000 0.748623 Mg\n0.254154 0.500000 0.753001 Mg\n0.745846 0.500000 0.753001 Mg\n0.000000 0.254811 0.251377 Mg\n0.500000 0.254154 0.246999 Mg\n0.000000 0.745189 0.251377 Mg\n0.500000 0.745846 0.246999 Mg\n0.000000 0.254811 0.748623 Mg\n0.500000 0.254154 0.753001 Mg\n0.000000 0.745189 0.748623 Mg\n0.500000 0.745846 0.753001 Mg\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.240805 O\n0.500000 0.000000 0.250696 O\n0.000000 0.500000 0.250696 O\n0.500000 0.500000 0.256058 O\n0.000000 0.000000 0.759195 O\n0.500000 0.000000 0.749304 O\n0.000000 0.500000 0.749304 O\n0.500000 0.500000 0.743942 O\n0.248686 0.248686 0.250027 O\n0.751314 0.248686 0.250027 O\n0.248686 0.751314 0.250027 O\n0.751314 0.751314 0.250027 O\n0.248686 0.248686 0.749973 O\n0.751314 0.248686 0.749973 O\n0.248686 0.751314 0.749973 O\n0.751314 0.751314 0.749973 O\n0.247217 0.000000 0.000000 O\n0.752783 0.000000 0.000000 O\n0.242659 0.500000 0.000000 O\n0.757341 0.500000 0.000000 O\n0.247180 0.000000 0.500000 O\n0.752820 0.000000 0.500000 O\n0.248095 0.500000 0.500000 O\n0.751905 0.500000 0.500000 O\n0.000000 0.247217 0.000000 O\n0.500000 0.242659 0.000000 O\n0.000000 0.752783 0.000000 O\n0.500000 0.757341 0.000000 O\n0.000000 0.247180 0.500000 O\n0.500000 0.248095 0.500000 O\n0.000000 0.752820 0.500000 O\n0.500000 0.751905 0.500000 O\n",
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{
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