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{
"id": "mp-1202278",
"created_at": "2022-09-04T14:44:53.189755Z",
"structure_string": "Cu8 H48 C16 Br12 N4\n1.0\n6.723042 0.000000 0.000000\n0.000000 9.983719 0.000000\n0.000000 0.000000 17.628092\nCu H C Br N\n8 48 16 12 4\ndirect\n0.502666 0.062416 0.568751 Cu\n0.997334 0.437584 0.068751 Cu\n0.002666 0.937584 0.431249 Cu\n0.497334 0.562416 0.931249 Cu\n0.497334 0.937584 0.431249 Cu\n0.002666 0.562416 0.931249 Cu\n0.997334 0.062416 0.568751 Cu\n0.502666 0.437584 0.068751 Cu\n0.430309 0.661636 0.713846 H\n0.069691 0.838364 0.213846 H\n0.930309 0.338364 0.286154 H\n0.569691 0.161636 0.786154 H\n0.569691 0.338364 0.286154 H\n0.930309 0.161636 0.786154 H\n0.069691 0.661636 0.713846 H\n0.430309 0.838364 0.213846 H\n0.562106 0.550832 0.651670 H\n0.937894 0.949168 0.151670 H\n0.062106 0.449168 0.348330 H\n0.437894 0.050832 0.848330 H\n0.437894 0.449168 0.348330 H\n0.062106 0.050832 0.848330 H\n0.937894 0.550832 0.651670 H\n0.562106 0.949168 0.151670 H\n0.430868 0.693175 0.613488 H\n0.069132 0.806825 0.113488 H\n0.930868 0.306825 0.386512 H\n0.569132 0.193175 0.886512 H\n0.569132 0.306825 0.386512 H\n0.930868 0.193175 0.886512 H\n0.069132 0.693175 0.613488 H\n0.430868 0.806825 0.113488 H\n0.250000 0.471694 0.764680 H\n0.250000 0.028306 0.264680 H\n0.750000 0.528306 0.235320 H\n0.750000 0.971694 0.735320 H\n0.116407 0.362641 0.701186 H\n0.383593 0.137359 0.201186 H\n0.616407 0.637359 0.298814 H\n0.883593 0.862641 0.798814 H\n0.883593 0.637359 0.298814 H\n0.616407 0.862641 0.798814 H\n0.383593 0.362641 0.701186 H\n0.116407 0.137359 0.201186 H\n0.250000 0.546223 0.529474 H\n0.250000 0.953777 0.029474 H\n0.750000 0.453777 0.470526 H\n0.750000 0.046223 0.970526 H\n0.383254 0.403992 0.567362 H\n0.116746 0.096008 0.067362 H\n0.883254 0.596008 0.432638 H\n0.616746 0.903992 0.932638 H\n0.616746 0.596008 0.432638 H\n0.883254 0.903992 0.932638 H\n0.116746 0.403992 0.567362 H\n0.383254 0.096008 0.067362 H\n0.432060 0.615836 0.657445 C\n0.067940 0.884164 0.157445 C\n0.932060 0.384164 0.342555 C\n0.567940 0.115836 0.842555 C\n0.567940 0.384164 0.342555 C\n0.932060 0.115836 0.842555 C\n0.067940 0.615836 0.657445 C\n0.432060 0.884164 0.157445 C\n0.250000 0.423859 0.708863 C\n0.250000 0.076141 0.208863 C\n0.750000 0.576141 0.291137 C\n0.750000 0.923859 0.791137 C\n0.250000 0.466705 0.572250 C\n0.250000 0.033295 0.072250 C\n0.750000 0.533295 0.427750 C\n0.750000 0.966705 0.927750 C\n0.750000 0.875419 0.539177 Br\n0.750000 0.624581 0.039177 Br\n0.250000 0.124581 0.460823 Br\n0.250000 0.375419 0.960823 Br\n0.750000 0.242780 0.593294 Br\n0.750000 0.257220 0.093294 Br\n0.250000 0.757220 0.406706 Br\n0.250000 0.742780 0.906706 Br\n0.250000 0.007311 0.663062 Br\n0.250000 0.492689 0.163062 Br\n0.750000 0.992689 0.336938 Br\n0.750000 0.507311 0.836938 Br\n0.250000 0.530697 0.649135 N\n0.250000 0.969303 0.149135 N\n0.750000 0.469303 0.350865 N\n0.750000 0.030697 0.850865 N\n",
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"formula_full": "Cu8 H48 C16 Br12 N4",
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"spacegroup": 62
},
{
"id": "mp-1114008",
"created_at": "2022-09-04T14:44:53.261471Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n0.000000 5.406528 5.406528\n5.406528 0.000000 5.406528\n5.406528 5.406528 0.000000\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.782792 0.217208 0.217208 Cl\n0.217208 0.217208 0.782792 Cl\n0.217208 0.782792 0.782792 Cl\n0.217208 0.782792 0.217208 Cl\n0.782792 0.217208 0.782792 Cl\n0.782792 0.782792 0.217208 Cl\n",
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{
"id": "mp-1208440",
"created_at": "2022-09-04T14:44:53.488962Z",
"structure_string": "Ti4 As8 O36\n1.0\n0.000000 5.252220 0.000000\n8.391361 0.000000 -3.002810\n-8.282243 0.000000 -13.262275\nTi As O\n4 8 36\ndirect\n0.236279 0.759619 0.523388 Ti\n0.763721 0.240381 0.476612 Ti\n0.736279 0.740381 0.976612 Ti\n0.263721 0.259619 0.023388 Ti\n0.270427 0.146987 0.601338 As\n0.729573 0.853013 0.398662 As\n0.770427 0.353013 0.898662 As\n0.229573 0.646987 0.101338 As\n0.234803 0.889331 0.884322 As\n0.765197 0.110669 0.115678 As\n0.734803 0.610669 0.615678 As\n0.265197 0.389331 0.384322 As\n0.568568 0.249351 0.949710 O\n0.431432 0.750649 0.050290 O\n0.068568 0.250649 0.550290 O\n0.931432 0.749351 0.449710 O\n0.193439 0.913646 0.778208 O\n0.806561 0.086354 0.221792 O\n0.693439 0.586354 0.721792 O\n0.306561 0.413646 0.278208 O\n0.075425 0.357878 0.938665 O\n0.924575 0.642122 0.061335 O\n0.575425 0.142122 0.561335 O\n0.424575 0.857878 0.438665 O\n0.155684 0.963655 0.591313 O\n0.844316 0.036345 0.408687 O\n0.655684 0.536345 0.908687 O\n0.344316 0.463655 0.091313 O\n0.286028 0.234717 0.713125 O\n0.713972 0.765283 0.286875 O\n0.786028 0.265283 0.786875 O\n0.213972 0.734717 0.213125 O\n0.357550 0.480584 0.745721 O\n0.642450 0.519416 0.254279 O\n0.857550 0.019416 0.754279 O\n0.142450 0.980584 0.245721 O\n0.538893 0.752539 0.593890 O\n0.461107 0.247461 0.406110 O\n0.038893 0.747461 0.906110 O\n0.961107 0.252539 0.093890 O\n0.160065 0.062268 0.951659 O\n0.839935 0.937732 0.048341 O\n0.660065 0.437732 0.548341 O\n0.339935 0.562268 0.451659 O\n0.047050 0.659744 0.603855 O\n0.952950 0.340256 0.396145 O\n0.547050 0.840256 0.896145 O\n0.452950 0.159744 0.103855 O\n",
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{
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"created_at": "2022-09-04T14:44:53.520994Z",
"structure_string": "Mg30 Al1 Si1 O32\n1.0\n8.574120 0.000000 0.000000\n0.000000 8.574120 0.000000\n0.000000 0.000000 8.568646\nMg Al Si O\n30 1 1 32\ndirect\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\n0.249854 0.249854 0.000000 Mg\n0.750146 0.249854 0.000000 Mg\n0.249854 0.750146 0.000000 Mg\n0.750146 0.750146 0.000000 Mg\n0.250489 0.250489 0.500000 Mg\n0.749511 0.250489 0.500000 Mg\n0.250489 0.749511 0.500000 Mg\n0.749511 0.749511 0.500000 Mg\n0.250769 0.000000 0.250712 Mg\n0.749231 0.000000 0.250712 Mg\n0.249307 0.500000 0.251569 Mg\n0.750693 0.500000 0.251569 Mg\n0.250769 0.000000 0.749288 Mg\n0.749231 0.000000 0.749288 Mg\n0.249307 0.500000 0.748431 Mg\n0.750693 0.500000 0.748431 Mg\n0.000000 0.250769 0.250712 Mg\n0.500000 0.249307 0.251569 Mg\n0.000000 0.749231 0.250712 Mg\n0.500000 0.750693 0.251569 Mg\n0.000000 0.250769 0.749288 Mg\n0.500000 0.249307 0.748431 Mg\n0.000000 0.749231 0.749288 Mg\n0.500000 0.750693 0.748431 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.234596 O\n0.500000 0.000000 0.249115 O\n0.000000 0.500000 0.249115 O\n0.500000 0.500000 0.259951 O\n0.000000 0.000000 0.765404 O\n0.500000 0.000000 0.750885 O\n0.000000 0.500000 0.750885 O\n0.500000 0.500000 0.740049 O\n0.250301 0.250301 0.248874 O\n0.749699 0.250301 0.248874 O\n0.250301 0.749699 0.248874 O\n0.749699 0.749699 0.248874 O\n0.250301 0.250301 0.751126 O\n0.749699 0.250301 0.751126 O\n0.250301 0.749699 0.751126 O\n0.749699 0.749699 0.751126 O\n0.233381 0.000000 0.000000 O\n0.766619 0.000000 0.000000 O\n0.236567 0.500000 0.000000 O\n0.763433 0.500000 0.000000 O\n0.247614 0.000000 0.500000 O\n0.752386 0.000000 0.500000 O\n0.248394 0.500000 0.500000 O\n0.751606 0.500000 0.500000 O\n0.000000 0.233381 0.000000 O\n0.500000 0.236567 0.000000 O\n0.000000 0.766619 0.000000 O\n0.500000 0.763433 0.000000 O\n0.000000 0.247614 0.500000 O\n0.500000 0.248394 0.500000 O\n0.000000 0.752386 0.500000 O\n0.500000 0.751606 0.500000 O\n",
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{
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{
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}