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{
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{
"id": "mp-581609",
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"structure_string": "Bi2 P2 Pb8 O16\n1.0\n6.444372 0.000000 0.000000\n-0.019051 7.351033 0.000000\n-2.919976 -1.795599 10.509930\nBi P Pb O\n2 2 8 16\ndirect\n0.691191 0.775714 0.603860 Bi\n0.308809 0.224286 0.396140 Bi\n0.758616 0.294136 0.684042 P\n0.241384 0.705864 0.315958 P\n0.725379 0.116925 0.965777 Pb\n0.231186 0.557252 0.704742 Pb\n0.274621 0.883075 0.034223 Pb\n0.727240 0.620440 0.969190 Pb\n0.272760 0.379560 0.030810 Pb\n0.768814 0.442748 0.295258 Pb\n0.233240 0.046300 0.702043 Pb\n0.766760 0.953700 0.297957 Pb\n0.994761 0.313907 0.771176 O\n0.279741 0.898395 0.405107 O\n0.401909 0.686347 0.231226 O\n0.518802 0.810185 0.742595 O\n0.641075 0.895822 0.084457 O\n0.720259 0.101605 0.594893 O\n0.481198 0.189815 0.257405 O\n0.358925 0.104178 0.915543 O\n0.647717 0.395160 0.080265 O\n0.277008 0.554108 0.402826 O\n0.352283 0.604840 0.919735 O\n0.013451 0.807625 0.728650 O\n0.986549 0.192375 0.271350 O\n0.722992 0.445892 0.597174 O\n0.005239 0.686093 0.228824 O\n0.598091 0.313653 0.768774 O\n",
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},
{
"id": "mp-1110824",
"created_at": "2022-09-04T14:40:05.085036Z",
"structure_string": "Rb2 Nd1 Ag1 I6\n1.0\n0.000000 6.145288 6.145288\n6.145288 0.000000 6.145288\n6.145288 6.145288 0.000000\nRb Nd Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.752807 0.247193 0.247193 I\n0.247193 0.247193 0.752807 I\n0.247193 0.752807 0.752807 I\n0.247193 0.752807 0.247193 I\n0.752807 0.247193 0.752807 I\n0.752807 0.752807 0.247193 I\n",
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"updated_at": "2021-11-28T01:34:47.006000Z",
"spacegroup": 225
},
{
"id": "mp-1204314",
"created_at": "2022-09-04T14:45:32.553544Z",
"structure_string": "Gd16 B48 O96\n1.0\n0.000000 7.481376 0.000000\n0.000000 -0.000000 12.415241\n16.171564 0.000000 0.000000\nGd B O\n16 48 96\ndirect\n0.250000 0.566988 0.671652 Gd\n0.250000 0.933012 0.171652 Gd\n0.750000 0.433012 0.328348 Gd\n0.750000 0.066988 0.828348 Gd\n0.750000 0.492686 0.620382 Gd\n0.750000 0.007314 0.120382 Gd\n0.250000 0.507314 0.379618 Gd\n0.250000 0.992686 0.879618 Gd\n0.250000 0.912407 0.548037 Gd\n0.250000 0.587593 0.048037 Gd\n0.750000 0.087593 0.451963 Gd\n0.750000 0.412407 0.951963 Gd\n0.750000 0.770621 0.627516 Gd\n0.750000 0.729379 0.127516 Gd\n0.250000 0.229379 0.372484 Gd\n0.250000 0.270621 0.872484 Gd\n0.929472 0.686250 0.782798 B\n0.570528 0.813750 0.282798 B\n0.429472 0.313750 0.217202 B\n0.070528 0.186250 0.717202 B\n0.070528 0.313750 0.217202 B\n0.429472 0.186250 0.717202 B\n0.570528 0.686250 0.782798 B\n0.929472 0.813750 0.282798 B\n0.926729 0.845509 0.441860 B\n0.573271 0.654491 0.941860 B\n0.426729 0.154491 0.558140 B\n0.073271 0.345509 0.058140 B\n0.073271 0.154491 0.558140 B\n0.426729 0.345509 0.058140 B\n0.573271 0.845509 0.441860 B\n0.926729 0.654491 0.941860 B\n0.061278 0.679185 0.530069 B\n0.438722 0.820815 0.030069 B\n0.561278 0.320815 0.469931 B\n0.938722 0.179185 0.969931 B\n0.938722 0.320815 0.469931 B\n0.561278 0.179185 0.969931 B\n0.438722 0.679185 0.530069 B\n0.061278 0.820815 0.030069 B\n0.923631 0.017545 0.653834 B\n0.576369 0.482455 0.153834 B\n0.423631 0.982455 0.346166 B\n0.076369 0.517545 0.846166 B\n0.076369 0.982455 0.346166 B\n0.423631 0.517545 0.846166 B\n0.576369 0.017545 0.653834 B\n0.923631 0.482455 0.153834 B\n0.077071 0.355496 0.610262 B\n0.422929 0.144504 0.110262 B\n0.577071 0.644504 0.389738 B\n0.922929 0.855496 0.889738 B\n0.922929 0.644504 0.389738 B\n0.577071 0.855496 0.889738 B\n0.422929 0.355496 0.610262 B\n0.077071 0.144504 0.110262 B\n0.931131 0.370668 0.757196 B\n0.568869 0.129332 0.257196 B\n0.431131 0.629332 0.242804 B\n0.068869 0.870668 0.742804 B\n0.068869 0.629332 0.242804 B\n0.431131 0.870668 0.742804 B\n0.568869 0.370668 0.757196 B\n0.931131 0.129332 0.257196 B\n0.750000 0.962224 0.660003 O\n0.750000 0.537776 0.160003 O\n0.250000 0.037776 0.339997 O\n0.250000 0.462224 0.839997 O\n0.061239 0.600791 0.781940 O\n0.438761 0.899209 0.281940 O\n0.561239 0.399209 0.218060 O\n0.938761 0.100791 0.718060 O\n0.938761 0.399209 0.218060 O\n0.561239 0.100791 0.718060 O\n0.438761 0.600791 0.781940 O\n0.061239 0.899209 0.281940 O\n0.054868 0.932631 0.428804 O\n0.445132 0.567369 0.928804 O\n0.554868 0.067369 0.571196 O\n0.945132 0.432631 0.071196 O\n0.945132 0.067369 0.571196 O\n0.554868 0.432631 0.071196 O\n0.445132 0.932631 0.428804 O\n0.054868 0.567369 0.928804 O\n0.937209 0.376266 0.549067 O\n0.562791 0.123734 0.049067 O\n0.437209 0.623734 0.450933 O\n0.062791 0.876266 0.950933 O\n0.062791 0.623734 0.450933 O\n0.437209 0.876266 0.950933 O\n0.562791 0.376266 0.549067 O\n0.937209 0.123734 0.049067 O\n0.926813 0.734171 0.870631 O\n0.573187 0.765829 0.370631 O\n0.426813 0.265829 0.129369 O\n0.073187 0.234171 0.629369 O\n0.073187 0.265829 0.129369 O\n0.426813 0.234171 0.629369 O\n0.573187 0.734171 0.870631 O\n0.926813 0.765829 0.370631 O\n0.033726 0.420473 0.684967 O\n0.466274 0.079527 0.184967 O\n0.533726 0.579527 0.315033 O\n0.966274 0.920473 0.815033 O\n0.966274 0.579527 0.315033 O\n0.533726 0.920473 0.815033 O\n0.466274 0.420473 0.684967 O\n0.033726 0.079527 0.184967 O\n0.250000 0.697547 0.562667 O\n0.250000 0.802453 0.062667 O\n0.750000 0.302453 0.437333 O\n0.750000 0.197547 0.937333 O\n0.750000 0.361802 0.725038 O\n0.750000 0.138198 0.225038 O\n0.250000 0.638198 0.274962 O\n0.250000 0.861802 0.774962 O\n0.961070 0.624646 0.594616 O\n0.538930 0.875354 0.094616 O\n0.461070 0.375354 0.405384 O\n0.038930 0.124646 0.905384 O\n0.038930 0.375354 0.405384 O\n0.461070 0.124646 0.905384 O\n0.538930 0.624646 0.594616 O\n0.961070 0.875354 0.094616 O\n0.062416 0.934201 0.665641 O\n0.437584 0.565799 0.165641 O\n0.562416 0.065799 0.334359 O\n0.937584 0.434201 0.834359 O\n0.937584 0.065799 0.334359 O\n0.562416 0.434201 0.834359 O\n0.437584 0.934201 0.665641 O\n0.062416 0.565799 0.165641 O\n0.250000 0.392083 0.579336 O\n0.250000 0.107917 0.079336 O\n0.750000 0.607917 0.420664 O\n0.750000 0.892083 0.920664 O\n0.750000 0.646926 0.755069 O\n0.750000 0.853074 0.255069 O\n0.250000 0.353074 0.244931 O\n0.250000 0.146926 0.744931 O\n0.250000 0.104519 0.548339 O\n0.250000 0.395481 0.048339 O\n0.750000 0.895481 0.451661 O\n0.750000 0.604519 0.951661 O\n0.980491 0.791259 0.519473 O\n0.519509 0.708741 0.019473 O\n0.480491 0.208741 0.480527 O\n0.019509 0.291259 0.980527 O\n0.019509 0.208741 0.480527 O\n0.480491 0.291259 0.980527 O\n0.519509 0.791259 0.519473 O\n0.980491 0.708741 0.019473 O\n0.982610 0.768767 0.724364 O\n0.517390 0.731233 0.224364 O\n0.482610 0.231233 0.275636 O\n0.017390 0.268767 0.775636 O\n0.017390 0.231233 0.275636 O\n0.482610 0.268767 0.775636 O\n0.517390 0.768767 0.724364 O\n0.982610 0.731233 0.224364 O\n",
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"formula_full": "Gd16 B48 O96",
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"updated_at": "2021-11-28T01:37:04.888000Z",
"spacegroup": 62
},
{
"id": "mp-560628",
"created_at": "2022-09-04T14:42:03.854036Z",
"structure_string": "Cs4 Fe4 S8 O32\n1.0\n7.461612 -4.307922 0.000200\n4.974533 -0.000204 9.063840\n-4.974194 -8.615477 0.000009\nCs Fe S O\n4 4 8 32\ndirect\n0.249999 0.500001 0.875000 Cs\n0.750000 0.500000 0.625000 Cs\n0.250000 0.499999 0.374999 Cs\n0.750000 0.500000 0.125000 Cs\n0.500094 0.000018 0.750127 Fe\n0.999910 0.999977 0.499866 Fe\n0.500051 0.999934 0.250199 Fe\n0.999959 0.000069 0.999817 Fe\n0.239758 0.187109 0.546791 S\n0.739778 0.187109 0.296753 S\n0.239764 0.187109 0.046799 S\n0.739783 0.187111 0.796759 S\n0.260241 0.812892 0.703209 S\n0.760216 0.812889 0.453241 S\n0.260236 0.812891 0.203201 S\n0.760222 0.812892 0.953247 S\n0.341055 0.651258 0.662817 O\n0.841052 0.651258 0.412817 O\n0.341050 0.651259 0.162815 O\n0.841053 0.651257 0.912816 O\n0.158944 0.348742 0.587183 O\n0.658946 0.348743 0.337184 O\n0.158949 0.348741 0.087184 O\n0.658947 0.348742 0.837182 O\n0.385619 0.868260 0.767224 O\n0.885640 0.868244 0.517174 O\n0.385617 0.868265 0.267207 O\n0.885636 0.868254 0.017172 O\n0.105871 0.868293 0.806838 O\n0.605838 0.868255 0.556776 O\n0.105857 0.868287 0.306820 O\n0.605848 0.868263 0.056788 O\n0.293893 0.131737 0.672824 O\n0.793911 0.131697 0.422816 O\n0.293906 0.131727 0.172818 O\n0.793932 0.131694 0.922812 O\n0.114381 0.131740 0.482775 O\n0.614363 0.131746 0.232828 O\n0.114383 0.131735 0.982792 O\n0.614359 0.131757 0.732825 O\n0.206107 0.868263 0.577176 O\n0.706068 0.868306 0.327187 O\n0.206093 0.868273 0.077182 O\n0.706088 0.868303 0.827183 O\n0.394129 0.131707 0.443161 O\n0.894151 0.131738 0.193212 O\n0.394142 0.131713 0.943179 O\n0.894162 0.131745 0.693223 O\n",
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{
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"structure_string": "Hg2 Br4\n1.0\n2.512723 -3.499966 0.000000\n2.512723 3.499966 0.000000\n0.000000 0.000000 13.087909\nHg Br\n2 4\ndirect\n0.666421 0.333579 0.000133 Hg\n0.333579 0.666421 0.500133 Hg\n0.599914 0.400086 0.625666 Br\n0.400086 0.599914 0.125666 Br\n0.067618 0.932382 0.374200 Br\n0.932382 0.067618 0.874200 Br\n",
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{
"id": "mp-1043473",
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"structure_string": "Ca2 Ti4 P4 O20\n1.0\n0.000000 5.954902 8.156359\n3.639617 0.000000 8.156359\n3.639617 5.954902 0.000000\nCa Ti P O\n2 4 4 20\ndirect\n0.499827 0.000173 0.000173 Ca\n0.249827 0.750173 0.750173 Ca\n0.875055 0.384355 0.393295 Ti\n0.347295 0.393295 0.384355 Ti\n0.865645 0.374945 0.902705 Ti\n0.856705 0.902705 0.374945 Ti\n0.036937 0.546199 0.963206 P\n0.703801 0.213063 0.796342 P\n0.453658 0.963206 0.546199 P\n0.286794 0.796342 0.213063 P\n0.584186 0.720876 0.447867 O\n0.662032 0.169411 0.337882 O\n0.313735 0.655883 0.394442 O\n0.802133 0.002929 0.665814 O\n0.216228 0.083751 0.756869 O\n0.421479 0.104611 0.365381 O\n0.080589 0.587968 0.419326 O\n0.830674 0.337882 0.169411 O\n0.912118 0.419326 0.587968 O\n0.166249 0.033772 0.306848 O\n0.247071 0.447867 0.720876 O\n0.493131 0.306848 0.033772 O\n0.943152 0.756869 0.083751 O\n0.145389 0.828521 0.141470 O\n0.108530 0.365381 0.104611 O\n0.884619 0.141470 0.828521 O\n0.855558 0.614060 0.936265 O\n0.635940 0.394442 0.655883 O\n0.529124 0.665814 0.002929 O\n0.594117 0.936265 0.614060 O\n",
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{
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