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{
"id": "mp-728419",
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"structure_string": "Cd4 C28 S12 N16\n1.0\n9.557018 0.000000 0.000000\n0.000000 10.760586 0.000000\n0.000000 0.000000 14.051301\nCd C S N\n4 28 12 16\ndirect\n0.997580 0.577373 0.280729 Cd\n0.497580 0.422627 0.719271 Cd\n0.497580 0.922627 0.780729 Cd\n0.997580 0.077373 0.219271 Cd\n0.510380 0.764457 0.357634 C\n0.010380 0.235543 0.642366 C\n0.010380 0.735543 0.857634 C\n0.510380 0.264457 0.142366 C\n0.584358 0.917506 0.386889 C\n0.084358 0.082494 0.613111 C\n0.084358 0.582494 0.886889 C\n0.584358 0.417506 0.113111 C\n0.561190 0.809820 0.452257 C\n0.061190 0.190180 0.547743 C\n0.061190 0.690180 0.952257 C\n0.561190 0.309820 0.047743 C\n0.419805 0.867062 0.441720 C\n0.919805 0.132938 0.558280 C\n0.919805 0.632938 0.941720 C\n0.419805 0.367062 0.058280 C\n0.000300 0.852329 0.388241 C\n0.500300 0.147671 0.611759 C\n0.500300 0.647671 0.888241 C\n0.000300 0.352329 0.111759 C\n0.823040 0.804729 0.175184 C\n0.323040 0.195271 0.824816 C\n0.323040 0.695271 0.675184 C\n0.823040 0.304729 0.324816 C\n0.184475 0.807478 0.180734 C\n0.684475 0.192522 0.819266 C\n0.684475 0.692522 0.680734 C\n0.184475 0.307478 0.319266 C\n0.001979 0.721527 0.447264 S\n0.501979 0.278473 0.552736 S\n0.501979 0.778473 0.947264 S\n0.001979 0.221527 0.052736 S\n0.804695 0.934997 0.117104 S\n0.304695 0.065003 0.882896 S\n0.304695 0.565003 0.617104 S\n0.804695 0.434997 0.382896 S\n0.216175 0.941687 0.131517 S\n0.716175 0.058313 0.868483 S\n0.716175 0.558313 0.631517 S\n0.216175 0.441687 0.368483 S\n0.449724 0.889127 0.339283 N\n0.949724 0.110873 0.660717 N\n0.949724 0.610873 0.839283 N\n0.449724 0.389127 0.160717 N\n0.999391 0.946817 0.345649 N\n0.499391 0.053183 0.654351 N\n0.499391 0.553183 0.845649 N\n0.999391 0.446817 0.154351 N\n0.834936 0.710366 0.217489 N\n0.334936 0.289634 0.782511 N\n0.334936 0.789634 0.717489 N\n0.834936 0.210366 0.282511 N\n0.162173 0.709932 0.216663 N\n0.662173 0.290068 0.783337 N\n0.662173 0.790068 0.716663 N\n0.162173 0.209932 0.283337 N\n",
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"formula_full": "Cd4 C28 S12 N16",
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"spacegroup": 33
},
{
"id": "mp-695887",
"created_at": "2022-09-04T14:39:13.374381Z",
"structure_string": "K3 Cu2 P4 H1 O14\n1.0\n5.322973 0.000000 0.000000\n-2.532863 4.997339 0.000000\n-2.276517 -1.283750 12.638063\nK Cu P H O\n3 2 4 1 14\ndirect\n0.000000 0.000000 0.500000 K\n0.797540 0.151383 0.936670 K\n0.202460 0.848617 0.063330 K\n0.027293 0.772878 0.779105 Cu\n0.972707 0.227122 0.220895 Cu\n0.413182 0.470229 0.839718 P\n0.586818 0.529771 0.160282 P\n0.441621 0.708804 0.648239 P\n0.558379 0.291196 0.351761 P\n0.500000 0.500000 0.500000 H\n0.346341 0.439096 0.710730 O\n0.653659 0.560904 0.289270 O\n0.745640 0.624383 0.875872 O\n0.254360 0.375617 0.124128 O\n0.269567 0.637529 0.872949 O\n0.730433 0.362471 0.127051 O\n0.288353 0.188405 0.875564 O\n0.711647 0.811595 0.124436 O\n0.766367 0.887468 0.689552 O\n0.233633 0.112532 0.310448 O\n0.258862 0.844766 0.668774 O\n0.741138 0.155234 0.331226 O\n0.369252 0.606176 0.530630 O\n0.630748 0.393824 0.469370 O\n",
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},
{
"id": "mp-567483",
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"structure_string": "Cd6 I12\n1.0\n2.165695 -3.751094 0.000000\n2.165695 3.751094 0.000000\n0.000000 0.000000 44.484754\nCd I\n6 12\ndirect\n0.000000 0.000000 0.333332 Cd\n0.333333 0.666667 0.166669 Cd\n0.666667 0.333333 0.833331 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.666668 Cd\n0.333333 0.666667 0.872183 I\n0.666667 0.333333 0.961209 I\n0.666667 0.333333 0.461207 I\n0.000000 0.000000 0.205479 I\n0.333333 0.666667 0.372158 I\n0.333333 0.666667 0.538793 I\n0.666667 0.333333 0.127817 I\n0.333333 0.666667 0.705508 I\n0.000000 0.000000 0.794521 I\n0.666667 0.333333 0.627842 I\n0.666667 0.333333 0.294492 I\n0.333333 0.666667 0.038791 I\n",
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"density": 5.0483087111527745,
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"volume": 722.7638626708041,
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"formula_full": "Cd6 I12",
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"updated_at": "2021-11-28T01:34:39.028000Z",
"spacegroup": 164
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{
"id": "mp-862977",
"created_at": "2022-09-04T14:39:13.604858Z",
"structure_string": "Pm2 Ag1 Ir1\n1.0\n0.000000 3.612962 3.612962\n3.612962 0.000000 3.612962\n3.612962 3.612962 0.000000\nPm Ag Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ir\n",
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{
"id": "mp-778169",
"created_at": "2022-09-04T14:39:13.365644Z",
"structure_string": "Li2 Cu4 S6 O24\n1.0\n7.444846 -4.299748 0.000000\n7.444846 4.299748 0.000000\n4.961539 0.000000 7.021160\nLi Cu S O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.354767 0.354767 0.354767 Cu\n0.145233 0.145233 0.145233 Cu\n0.645233 0.645233 0.645233 Cu\n0.854767 0.854767 0.854767 Cu\n0.750000 0.045899 0.454101 S\n0.954101 0.545899 0.250000 S\n0.545899 0.250000 0.954101 S\n0.454101 0.750000 0.045899 S\n0.045899 0.454101 0.750000 S\n0.250000 0.954101 0.545899 S\n0.910865 0.057916 0.268383 O\n0.731617 0.089135 0.942084 O\n0.893081 0.485833 0.694583 O\n0.014167 0.606919 0.805417 O\n0.589135 0.231617 0.442084 O\n0.768383 0.557916 0.410865 O\n0.942084 0.731617 0.089135 O\n0.194583 0.985833 0.393081 O\n0.514167 0.305417 0.106919 O\n0.305417 0.106919 0.514167 O\n0.393081 0.194583 0.985833 O\n0.557916 0.410865 0.768383 O\n0.442084 0.589135 0.231617 O\n0.694583 0.893081 0.485833 O\n0.606919 0.805417 0.014167 O\n0.805417 0.014167 0.606919 O\n0.485833 0.694583 0.893081 O\n0.057916 0.268383 0.910865 O\n0.231617 0.442084 0.589135 O\n0.410865 0.768383 0.557916 O\n0.106919 0.514167 0.305417 O\n0.985833 0.393081 0.194583 O\n0.268383 0.910865 0.057916 O\n0.089135 0.942084 0.731617 O\n",
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"formula_full": "Li2 Cu4 S6 O24",
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{
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"structure_string": "Zr1 Zn1 Pd2\n1.0\n-4.924554 5.617689 7.945197\n4.924554 -5.617689 7.945197\n4.924554 5.617689 -7.945197\nZr Zn Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.261111 0.261111 Pd\n0.000000 0.738889 0.738889 Pd\n",
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{
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{
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{
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{
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