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{
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{
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{
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"structure_string": "Ti4 P16 O48\n1.0\n8.331770 0.000000 0.000000\n0.000000 9.303445 0.000000\n0.000000 0.000000 12.995855\nTi P O\n4 16 48\ndirect\n0.348121 0.750000 0.000000 Ti\n0.651879 0.250000 0.000000 Ti\n0.151879 0.250000 0.500000 Ti\n0.848121 0.750000 0.500000 Ti\n0.181209 0.506082 0.147280 P\n0.818791 0.006082 0.147280 P\n0.462949 0.017718 0.148257 P\n0.537051 0.517718 0.148257 P\n0.037051 0.517718 0.351743 P\n0.962949 0.017718 0.351743 P\n0.318791 0.006082 0.352720 P\n0.681209 0.506082 0.352720 P\n0.318791 0.493918 0.647280 P\n0.681209 0.993918 0.647280 P\n0.037051 0.982282 0.648257 P\n0.962949 0.482282 0.648257 P\n0.462949 0.482282 0.851743 P\n0.537051 0.982282 0.851743 P\n0.181209 0.993918 0.852720 P\n0.818791 0.493918 0.852720 P\n0.200782 0.634570 0.073280 O\n0.799218 0.134570 0.073280 O\n0.475927 0.136671 0.069424 O\n0.524073 0.636671 0.069424 O\n0.088174 0.379732 0.117631 O\n0.911826 0.879732 0.117631 O\n0.365541 0.887863 0.115631 O\n0.634459 0.387863 0.115631 O\n0.363686 0.464941 0.182821 O\n0.636314 0.964941 0.182821 O\n0.116652 0.584684 0.251794 O\n0.883348 0.084684 0.251794 O\n0.383348 0.084684 0.248206 O\n0.616652 0.584684 0.248206 O\n0.136314 0.964941 0.317179 O\n0.863686 0.464941 0.317179 O\n0.134459 0.387863 0.384369 O\n0.865541 0.887863 0.384369 O\n0.411826 0.879732 0.382369 O\n0.588174 0.379732 0.382369 O\n0.024073 0.636671 0.430576 O\n0.975927 0.136671 0.430576 O\n0.299218 0.134570 0.426720 O\n0.700782 0.634570 0.426720 O\n0.299218 0.365430 0.573280 O\n0.700782 0.865430 0.573280 O\n0.024073 0.863329 0.569424 O\n0.975927 0.363329 0.569424 O\n0.411826 0.620268 0.617631 O\n0.588174 0.120268 0.617631 O\n0.134459 0.112137 0.615631 O\n0.865541 0.612137 0.615631 O\n0.136314 0.535059 0.682821 O\n0.863686 0.035059 0.682821 O\n0.383348 0.415316 0.751794 O\n0.616652 0.915316 0.751794 O\n0.116652 0.915316 0.748206 O\n0.883348 0.415316 0.748206 O\n0.363686 0.035059 0.817179 O\n0.636314 0.535059 0.817179 O\n0.365541 0.612137 0.884369 O\n0.634459 0.112137 0.884369 O\n0.088174 0.120268 0.882369 O\n0.911826 0.620268 0.882369 O\n0.475927 0.363329 0.930576 O\n0.524073 0.863329 0.930576 O\n0.200782 0.865430 0.926720 O\n0.799218 0.365430 0.926720 O\n",
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"volume": 1007.3628351098871,
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"formula_full": "Ti4 P16 O48",
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"spacegroup": 60
},
{
"id": "mp-1105706",
"created_at": "2022-09-04T14:41:46.652920Z",
"structure_string": "Tb7 Co1 I12\n1.0\n5.835301 -7.864507 0.000000\n5.835301 7.864507 0.000000\n-4.764061 0.000000 8.555988\nTb Co I\n7 1 12\ndirect\n0.500000 0.500000 0.500000 Tb\n0.022422 0.092392 0.288953 Tb\n0.092392 0.288953 0.022422 Tb\n0.288953 0.022422 0.092392 Tb\n0.977578 0.907608 0.711047 Tb\n0.907608 0.711047 0.977578 Tb\n0.711047 0.977578 0.907608 Tb\n0.000000 0.000000 0.000000 Co\n0.160887 0.464219 0.387034 I\n0.464219 0.387034 0.160887 I\n0.387034 0.160887 0.464219 I\n0.839113 0.535781 0.612966 I\n0.535781 0.612966 0.839113 I\n0.612966 0.839113 0.535781 I\n0.678256 0.072075 0.225474 I\n0.072075 0.225474 0.678256 I\n0.225474 0.678256 0.072075 I\n0.321744 0.927925 0.774526 I\n0.927925 0.774526 0.321744 I\n0.774526 0.321744 0.927925 I\n",
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{
"id": "mp-1209615",
"created_at": "2022-09-04T14:41:46.654644Z",
"structure_string": "Sc4 V8 O8\n1.0\n-4.439226 4.439226 -4.332806\n4.439226 -4.439226 -4.332806\n-4.439226 -4.439226 4.332806\nSc V O\n4 8 8\ndirect\n0.875000 0.125000 0.250000 Sc\n0.875000 0.625000 0.750000 Sc\n0.375000 0.125000 0.250000 Sc\n0.875000 0.125000 0.750000 Sc\n0.517199 0.193312 0.676113 V\n0.517199 0.841085 0.323887 V\n0.591085 0.767199 0.823887 V\n0.232801 0.408915 0.176113 V\n0.232801 0.056688 0.823887 V\n0.943312 0.767199 0.176113 V\n0.158915 0.482801 0.676113 V\n0.806688 0.482801 0.323887 V\n0.669723 0.522069 0.852346 O\n0.669723 0.817377 0.147654 O\n0.567377 0.919723 0.647654 O\n0.080277 0.432623 0.352346 O\n0.080277 0.727931 0.647654 O\n0.272069 0.919723 0.352346 O\n0.182623 0.330277 0.852346 O\n0.477931 0.330277 0.147654 O\n",
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{
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"structure_string": "Na4 B3 Cl1\n1.0\n-2.773742 2.773742 5.494987\n2.773742 -2.773742 5.494987\n2.773742 2.773742 -5.494987\nNa B Cl\n4 3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.247882 0.247882 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.752118 0.752118 0.000000 Na\n0.250000 0.750000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.750000 0.250000 0.500000 B\n0.000000 0.000000 0.000000 Cl\n",
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{
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{
"id": "mp-776394",
"created_at": "2022-09-04T14:41:46.655688Z",
"structure_string": "Sr8 Li32 Ni8 O32\n1.0\n5.169638 0.000000 0.000000\n0.000000 9.593206 0.000000\n0.000000 0.000000 17.878902\nSr Li Ni O\n8 32 8 32\ndirect\n0.237633 0.876426 0.517260 Sr\n0.262367 0.876426 0.017260 Sr\n0.737633 0.623574 0.517260 Sr\n0.762367 0.623574 0.017260 Sr\n0.237633 0.376426 0.982740 Sr\n0.262367 0.376426 0.482740 Sr\n0.762367 0.123574 0.482740 Sr\n0.737633 0.123574 0.982740 Sr\n0.692113 0.852569 0.407878 Li\n0.807887 0.852569 0.907878 Li\n0.593160 0.954066 0.282868 Li\n0.906840 0.954066 0.782868 Li\n0.007600 0.829732 0.319047 Li\n0.492400 0.829732 0.819047 Li\n0.226779 0.812138 0.190152 Li\n0.273221 0.812138 0.690152 Li\n0.726779 0.687862 0.190152 Li\n0.773221 0.687862 0.690152 Li\n0.507600 0.670268 0.319047 Li\n0.992400 0.670268 0.819047 Li\n0.093160 0.545934 0.282868 Li\n0.406840 0.545934 0.782868 Li\n0.307887 0.647431 0.907878 Li\n0.192113 0.647431 0.407878 Li\n0.692113 0.352569 0.092122 Li\n0.807887 0.352569 0.592122 Li\n0.593160 0.454066 0.217132 Li\n0.906840 0.454066 0.717132 Li\n0.007600 0.329732 0.180953 Li\n0.492400 0.329732 0.680953 Li\n0.273221 0.312138 0.809848 Li\n0.226779 0.312138 0.309848 Li\n0.726779 0.187862 0.309848 Li\n0.773221 0.187862 0.809848 Li\n0.992400 0.170268 0.680953 Li\n0.507600 0.170268 0.180953 Li\n0.406840 0.045934 0.717132 Li\n0.093160 0.045934 0.217132 Li\n0.307887 0.147431 0.592122 Li\n0.192113 0.147431 0.092122 Li\n0.734154 0.953783 0.127890 Ni\n0.765846 0.953783 0.627890 Ni\n0.234154 0.546217 0.127890 Ni\n0.265846 0.546217 0.627890 Ni\n0.734154 0.453783 0.372110 Ni\n0.765846 0.453783 0.872110 Ni\n0.234154 0.046217 0.372110 Ni\n0.265846 0.046217 0.872110 Ni\n0.354917 0.980781 0.140301 O\n0.145083 0.980781 0.640301 O\n0.762591 0.878147 0.021317 O\n0.737409 0.878147 0.521317 O\n0.877167 0.863782 0.217082 O\n0.622833 0.863782 0.717082 O\n0.346658 0.841491 0.369110 O\n0.153342 0.841491 0.869110 O\n0.846658 0.658509 0.369110 O\n0.653342 0.658509 0.869110 O\n0.377167 0.636218 0.217082 O\n0.122833 0.636218 0.717082 O\n0.237409 0.621853 0.521317 O\n0.262591 0.621853 0.021317 O\n0.854917 0.519219 0.140301 O\n0.645083 0.519219 0.640301 O\n0.354917 0.480781 0.359699 O\n0.145083 0.480781 0.859699 O\n0.737409 0.378147 0.978683 O\n0.762591 0.378147 0.478683 O\n0.877167 0.363782 0.282918 O\n0.622833 0.363782 0.782918 O\n0.346658 0.341491 0.130890 O\n0.153342 0.341491 0.630890 O\n0.653342 0.158509 0.630890 O\n0.846658 0.158509 0.130890 O\n0.377167 0.136218 0.282918 O\n0.122833 0.136218 0.782918 O\n0.262591 0.121853 0.478683 O\n0.237409 0.121853 0.978683 O\n0.854917 0.019219 0.359699 O\n0.645083 0.019219 0.859699 O\n",
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"formula_full": "Sr8 Li32 Ni8 O32",
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