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{
"id": "mp-766301",
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{
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"structure_string": "Ta2 Al2 O8\n1.0\n1.906571 6.134557 0.000000\n-1.906571 6.134557 0.000000\n0.000000 1.979504 6.207666\nTa Al O\n2 2 8\ndirect\n0.894430 0.894430 0.233082 Ta\n0.105570 0.105570 0.766918 Ta\n0.799309 0.799309 0.820385 Al\n0.200691 0.200691 0.179615 Al\n0.358294 0.358294 0.203384 O\n0.641706 0.641706 0.796616 O\n0.942679 0.942679 0.863882 O\n0.057321 0.057321 0.136118 O\n0.141141 0.141141 0.474162 O\n0.858859 0.858859 0.525838 O\n0.261942 0.261942 0.858252 O\n0.738058 0.738058 0.141748 O\n",
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{
"id": "mp-676663",
"created_at": "2022-09-04T14:41:19.847816Z",
"structure_string": "Zn6 Sn6 Sb12\n1.0\n2.239825 3.943487 0.000000\n-2.239825 3.943487 0.000000\n0.000000 0.392391 41.870161\nZn Sn Sb\n6 6 12\ndirect\n0.066076 0.066076 0.969500 Zn\n0.540665 0.540665 0.897699 Zn\n0.026823 0.026823 0.825043 Zn\n0.516396 0.516396 0.751892 Zn\n0.998165 0.998165 0.677805 Zn\n0.478386 0.478386 0.604635 Zn\n0.916384 0.916384 0.527392 Sn\n0.498074 0.498074 0.437556 Sn\n0.999633 0.999633 0.342340 Sn\n0.535620 0.535620 0.249921 Sn\n0.615204 0.615204 0.064797 Sn\n0.060103 0.060103 0.156989 Sn\n0.394245 0.394245 0.957993 Sb\n0.870388 0.870388 0.884675 Sb\n0.353023 0.353023 0.813092 Sb\n0.844010 0.844010 0.740546 Sb\n0.329899 0.329899 0.670157 Sb\n0.813702 0.813702 0.594373 Sb\n0.253957 0.253957 0.494725 Sb\n0.835450 0.835450 0.404613 Sb\n0.335214 0.335214 0.310129 Sb\n0.872078 0.872078 0.217382 Sb\n0.395951 0.395951 0.124145 Sb\n0.950561 0.950561 0.032599 Sb\n",
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"spacegroup": 8
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{
"id": "mp-1180607",
"created_at": "2022-09-04T14:41:19.848999Z",
"structure_string": "Mg2 N12 O32\n1.0\n6.814496 0.000000 0.000000\n0.000000 9.550252 0.000000\n0.000000 7.020333 10.652985\nMg N O\n2 12 32\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.273443 0.613025 0.090967 N\n0.226557 0.613025 0.590967 N\n0.726557 0.386975 0.909033 N\n0.773443 0.386975 0.409033 N\n0.472333 0.624136 0.080069 N\n0.027667 0.624136 0.580069 N\n0.527667 0.375864 0.919931 N\n0.972333 0.375864 0.419931 N\n0.202608 0.453448 0.143582 N\n0.297392 0.453448 0.643582 N\n0.797392 0.546552 0.856418 N\n0.702608 0.546552 0.356418 N\n0.997312 0.797710 0.987719 O\n0.502688 0.797710 0.487719 O\n0.002688 0.202290 0.012281 O\n0.497312 0.202290 0.512281 O\n0.198086 0.898580 0.192313 O\n0.301914 0.898580 0.692313 O\n0.801914 0.101420 0.807687 O\n0.698086 0.101420 0.307687 O\n0.237359 0.972649 0.917079 O\n0.262641 0.972649 0.417079 O\n0.762641 0.027351 0.082921 O\n0.737359 0.027351 0.582921 O\n0.366288 0.910594 0.220050 O\n0.133712 0.910594 0.720050 O\n0.633712 0.089406 0.779950 O\n0.866288 0.089406 0.279950 O\n0.543930 0.766599 0.029747 O\n0.956070 0.766599 0.529747 O\n0.456070 0.233401 0.970253 O\n0.043930 0.233401 0.470253 O\n0.583976 0.498735 0.119551 O\n0.916024 0.498735 0.619551 O\n0.416024 0.501265 0.880449 O\n0.083976 0.501265 0.380449 O\n0.022473 0.438678 0.152342 O\n0.477527 0.438678 0.652342 O\n0.977527 0.561322 0.847658 O\n0.522473 0.561322 0.347658 O\n0.312876 0.327503 0.182474 O\n0.187124 0.327503 0.682474 O\n0.687124 0.672497 0.817526 O\n0.812876 0.672497 0.317526 O\n",
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"formula_full": "Mg2 N12 O32",
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"formula_anonymous": "AB6C16",
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},
{
"id": "mp-1212874",
"created_at": "2022-09-04T14:41:19.935624Z",
"structure_string": "Er4 Ga18 Ir6\n1.0\n3.788609 -6.566225 0.000000\n3.788609 6.566225 0.000000\n0.000000 0.000000 9.481233\nEr Ga Ir\n4 18 6\ndirect\n0.996990 0.667661 0.750000 Er\n0.003010 0.332339 0.250000 Er\n0.667661 0.996990 0.750000 Er\n0.332339 0.003010 0.250000 Er\n0.126471 0.126471 0.750000 Ga\n0.873529 0.873529 0.250000 Ga\n0.998909 0.333672 0.580022 Ga\n0.001091 0.666328 0.419978 Ga\n0.001091 0.666328 0.080022 Ga\n0.333672 0.998909 0.919978 Ga\n0.998909 0.333672 0.919978 Ga\n0.666328 0.001091 0.080022 Ga\n0.666328 0.001091 0.419978 Ga\n0.333672 0.998909 0.580022 Ga\n0.332843 0.332843 0.064424 Ga\n0.667157 0.667157 0.935576 Ga\n0.667157 0.667157 0.564424 Ga\n0.332843 0.332843 0.435576 Ga\n0.338514 0.546331 0.750000 Ga\n0.661486 0.453669 0.250000 Ga\n0.546331 0.338514 0.750000 Ga\n0.453669 0.661486 0.250000 Ga\n0.671787 0.328213 0.500000 Ir\n0.328213 0.671787 0.500000 Ir\n0.328213 0.671787 0.000000 Ir\n0.671787 0.328213 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Er4 Ga18 Ir6",
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{
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"created_at": "2022-09-04T14:41:19.949600Z",
"structure_string": "Yb1 Sm3 S4\n1.0\n13.202781 -1.995440 0.000000\n13.202781 1.995440 0.000000\n12.901194 0.000000 3.443021\nYb Sm S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.249206 0.249206 0.249206 Sm\n0.500000 0.500000 0.500000 Sm\n0.750794 0.750794 0.750794 Sm\n0.373981 0.373981 0.373981 S\n0.124752 0.124752 0.124752 S\n0.626019 0.626019 0.626019 S\n0.875248 0.875248 0.875248 S\n",
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{
"id": "mp-741045",
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"structure_string": "Na32 Al8 P16 H8 O72\n1.0\n7.007418 0.000000 0.000000\n0.000000 14.868629 0.000000\n0.000000 0.000000 15.467851\nNa Al P H O\n32 8 16 8 72\ndirect\n0.750000 0.110415 0.131079 Na\n0.250000 0.889585 0.868921 Na\n0.250000 0.389585 0.131079 Na\n0.750000 0.610415 0.868921 Na\n0.520135 0.517018 0.254841 Na\n0.020135 0.482982 0.745159 Na\n0.479865 0.982982 0.254841 Na\n0.979865 0.017018 0.745159 Na\n0.479865 0.482982 0.745159 Na\n0.979865 0.517018 0.254841 Na\n0.520135 0.017018 0.745159 Na\n0.020135 0.982982 0.254841 Na\n0.500000 0.750000 0.527989 Na\n0.000000 0.250000 0.472011 Na\n0.500000 0.250000 0.472011 Na\n0.000000 0.750000 0.527989 Na\n0.500000 0.750000 0.221957 Na\n0.000000 0.250000 0.778043 Na\n0.500000 0.250000 0.778043 Na\n0.000000 0.750000 0.221957 Na\n0.500000 0.750000 0.991634 Na\n0.000000 0.250000 0.008366 Na\n0.500000 0.250000 0.008366 Na\n0.000000 0.750000 0.991634 Na\n0.500000 0.250000 0.255822 Na\n0.000000 0.750000 0.744178 Na\n0.500000 0.750000 0.744178 Na\n0.000000 0.250000 0.255822 Na\n0.750000 0.367116 0.625304 Na\n0.250000 0.632884 0.374696 Na\n0.250000 0.132884 0.625304 Na\n0.750000 0.867116 0.374696 Na\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.750000 0.635729 0.379650 P\n0.250000 0.364271 0.620350 P\n0.250000 0.864271 0.379650 P\n0.750000 0.135729 0.620350 P\n0.750000 0.879484 0.128673 P\n0.250000 0.120516 0.871327 P\n0.250000 0.620516 0.128673 P\n0.750000 0.379484 0.871327 P\n0.250000 0.879834 0.633057 P\n0.750000 0.120166 0.366943 P\n0.750000 0.620166 0.633057 P\n0.250000 0.379834 0.366943 P\n0.250000 0.629923 0.875076 P\n0.750000 0.370077 0.124924 P\n0.750000 0.870077 0.875076 P\n0.250000 0.129923 0.124924 P\n0.750000 0.080032 0.933786 H\n0.250000 0.919968 0.066214 H\n0.250000 0.419968 0.933786 H\n0.750000 0.580032 0.066214 H\n0.750000 0.412464 0.445999 H\n0.250000 0.587536 0.554001 H\n0.250000 0.087536 0.445999 H\n0.750000 0.912464 0.554001 H\n0.750000 0.726671 0.426812 O\n0.250000 0.273329 0.573188 O\n0.250000 0.773329 0.426812 O\n0.750000 0.226671 0.573188 O\n0.750000 0.647040 0.279847 O\n0.250000 0.352960 0.720153 O\n0.250000 0.852960 0.279847 O\n0.750000 0.147040 0.720153 O\n0.566417 0.580081 0.403893 O\n0.066417 0.419919 0.596107 O\n0.433583 0.919919 0.403893 O\n0.933583 0.080081 0.596107 O\n0.433583 0.419919 0.596107 O\n0.933583 0.580081 0.403893 O\n0.566417 0.080081 0.596107 O\n0.066417 0.919919 0.403893 O\n0.750000 0.784429 0.089314 O\n0.250000 0.215571 0.910686 O\n0.250000 0.715571 0.089314 O\n0.750000 0.284429 0.910686 O\n0.568936 0.935344 0.102809 O\n0.068936 0.064656 0.897191 O\n0.431064 0.564656 0.102809 O\n0.931064 0.435344 0.897191 O\n0.431064 0.064656 0.897191 O\n0.931064 0.935344 0.102809 O\n0.568936 0.435344 0.897191 O\n0.068936 0.564656 0.102809 O\n0.750000 0.870453 0.228646 O\n0.250000 0.129547 0.771354 O\n0.250000 0.629547 0.228646 O\n0.750000 0.370453 0.771354 O\n0.250000 0.775926 0.639159 O\n0.750000 0.224074 0.360841 O\n0.750000 0.724074 0.639159 O\n0.250000 0.275926 0.360841 O\n0.250000 0.920922 0.725025 O\n0.750000 0.079078 0.274975 O\n0.750000 0.579078 0.725025 O\n0.250000 0.420922 0.274975 O\n0.432144 0.910603 0.582790 O\n0.932144 0.089397 0.417210 O\n0.567856 0.589397 0.582790 O\n0.067856 0.410603 0.417210 O\n0.567856 0.089397 0.417210 O\n0.067856 0.910603 0.582790 O\n0.432144 0.410603 0.417210 O\n0.932144 0.589397 0.582790 O\n0.250000 0.734148 0.867257 O\n0.750000 0.265852 0.132743 O\n0.750000 0.765852 0.867257 O\n0.250000 0.234148 0.132743 O\n0.433255 0.602224 0.927600 O\n0.933255 0.397776 0.072400 O\n0.566745 0.897776 0.927600 O\n0.066745 0.102224 0.072400 O\n0.566745 0.397776 0.072400 O\n0.066745 0.602224 0.927600 O\n0.433255 0.102224 0.072400 O\n0.933255 0.897776 0.927600 O\n0.250000 0.586286 0.785326 O\n0.750000 0.413714 0.214674 O\n0.750000 0.913714 0.785326 O\n0.250000 0.086286 0.214674 O\n0.750000 0.049367 0.989529 O\n0.250000 0.950633 0.010471 O\n0.250000 0.450633 0.989529 O\n0.750000 0.549367 0.010471 O\n0.750000 0.449123 0.498144 O\n0.250000 0.550877 0.501856 O\n0.250000 0.050877 0.498144 O\n0.750000 0.949123 0.501856 O\n",
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