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{
"id": "mp-1516589",
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"structure_string": "K1 La1 In1 Sb1 O6\n1.0\n0.000000 -4.111320 -4.111320\n4.111320 -0.000000 -4.111320\n4.111320 -4.111320 -0.000000\nK La In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n-0.000000 0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.741165 0.258835 0.258835 O\n0.258835 0.741165 0.741165 O\n0.741165 0.258835 0.741165 O\n0.258835 0.741165 0.258835 O\n0.741165 0.741165 0.258835 O\n0.258835 0.258835 0.741165 O\n",
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{
"id": "mp-978526",
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"structure_string": "Si8 H96 C32\n1.0\n10.548984 0.000000 0.000000\n0.000000 10.548984 0.000000\n0.000000 0.000000 10.548984\nSi H C\n8 96 32\ndirect\n0.134203 0.134203 0.134203 Si\n0.365797 0.865797 0.634203 Si\n0.634203 0.365797 0.865797 Si\n0.865797 0.634203 0.365797 Si\n0.865797 0.865797 0.865797 Si\n0.634203 0.134203 0.365797 Si\n0.365797 0.634203 0.134203 Si\n0.134203 0.365797 0.634203 Si\n0.090860 0.968789 0.298389 H\n0.409140 0.031211 0.798389 H\n0.590860 0.531211 0.701611 H\n0.909140 0.468789 0.201611 H\n0.298389 0.090860 0.968789 H\n0.968789 0.298389 0.090860 H\n0.201611 0.909140 0.468789 H\n0.031211 0.798389 0.409140 H\n0.798389 0.409140 0.031211 H\n0.531211 0.701611 0.590860 H\n0.701611 0.590860 0.531211 H\n0.468789 0.201611 0.909140 H\n0.909140 0.031211 0.701611 H\n0.590860 0.968789 0.201611 H\n0.409140 0.468789 0.298389 H\n0.090860 0.531211 0.798389 H\n0.701611 0.909140 0.031211 H\n0.031211 0.701611 0.909140 H\n0.798389 0.090860 0.531211 H\n0.968789 0.201611 0.590860 H\n0.201611 0.590860 0.968789 H\n0.468789 0.298389 0.409140 H\n0.298389 0.409140 0.468789 H\n0.531211 0.798389 0.090860 H\n0.314994 0.281739 0.183166 H\n0.185006 0.718261 0.683166 H\n0.814994 0.218261 0.816834 H\n0.685006 0.781739 0.316834 H\n0.183166 0.314994 0.281739 H\n0.281739 0.183166 0.314994 H\n0.316834 0.685006 0.781739 H\n0.718261 0.683166 0.185006 H\n0.683166 0.185006 0.718261 H\n0.218261 0.816834 0.814994 H\n0.816834 0.814994 0.218261 H\n0.781739 0.316834 0.685006 H\n0.685006 0.718261 0.816834 H\n0.814994 0.281739 0.316834 H\n0.185006 0.781739 0.183166 H\n0.314994 0.218261 0.683166 H\n0.816834 0.685006 0.718261 H\n0.718261 0.816834 0.685006 H\n0.683166 0.314994 0.218261 H\n0.281739 0.316834 0.814994 H\n0.316834 0.814994 0.281739 H\n0.781739 0.183166 0.185006 H\n0.183166 0.185006 0.781739 H\n0.218261 0.683166 0.314994 H\n0.967844 0.969478 0.184046 H\n0.532156 0.030522 0.684046 H\n0.467844 0.530522 0.815954 H\n0.032156 0.469478 0.315954 H\n0.184046 0.967844 0.969478 H\n0.969478 0.184046 0.967844 H\n0.315954 0.032156 0.469478 H\n0.030522 0.684046 0.532156 H\n0.684046 0.532156 0.030522 H\n0.530522 0.815954 0.467844 H\n0.815954 0.467844 0.530522 H\n0.469478 0.315954 0.032156 H\n0.032156 0.030522 0.815954 H\n0.467844 0.969478 0.315954 H\n0.532156 0.469478 0.184046 H\n0.967844 0.530522 0.684046 H\n0.815954 0.032156 0.030522 H\n0.030522 0.815954 0.032156 H\n0.684046 0.967844 0.530522 H\n0.969478 0.315954 0.467844 H\n0.315954 0.467844 0.969478 H\n0.469478 0.184046 0.532156 H\n0.184046 0.532156 0.469478 H\n0.530522 0.684046 0.967844 H\n0.972318 0.087404 0.303427 H\n0.527682 0.912596 0.803427 H\n0.472318 0.412596 0.696573 H\n0.027682 0.587404 0.196573 H\n0.303427 0.972318 0.087404 H\n0.087404 0.303427 0.972318 H\n0.196573 0.027682 0.587404 H\n0.912596 0.803427 0.527682 H\n0.803427 0.527682 0.912596 H\n0.412596 0.696573 0.472318 H\n0.696573 0.472318 0.412596 H\n0.587404 0.196573 0.027682 H\n0.027682 0.912596 0.696573 H\n0.472318 0.087404 0.196573 H\n0.527682 0.587404 0.303427 H\n0.972318 0.412596 0.803427 H\n0.696573 0.027682 0.912596 H\n0.912596 0.696573 0.027682 H\n0.803427 0.972318 0.412596 H\n0.087404 0.196573 0.472318 H\n0.196573 0.472318 0.087404 H\n0.587404 0.303427 0.527682 H\n0.303427 0.527682 0.587404 H\n0.412596 0.803427 0.972318 H\n0.031300 0.030828 0.238785 C\n0.468700 0.969172 0.738785 C\n0.531300 0.469172 0.761215 C\n0.968700 0.530828 0.261215 C\n0.238785 0.031300 0.030828 C\n0.030828 0.238785 0.031300 C\n0.261215 0.968700 0.530828 C\n0.969172 0.738785 0.468700 C\n0.738785 0.468700 0.969172 C\n0.469172 0.761215 0.531300 C\n0.761215 0.531300 0.469172 C\n0.530828 0.261215 0.968700 C\n0.968700 0.969172 0.761215 C\n0.531300 0.030828 0.261215 C\n0.468700 0.530828 0.238785 C\n0.031300 0.469172 0.738785 C\n0.761215 0.968700 0.969172 C\n0.969172 0.761215 0.968700 C\n0.738785 0.031300 0.469172 C\n0.030828 0.261215 0.531300 C\n0.261215 0.531300 0.030828 C\n0.530828 0.238785 0.468700 C\n0.238785 0.468700 0.530828 C\n0.469172 0.738785 0.031300 C\n0.237890 0.237890 0.237890 C\n0.262110 0.762110 0.737890 C\n0.737890 0.262110 0.762110 C\n0.762110 0.737890 0.262110 C\n0.762110 0.762110 0.762110 C\n0.737890 0.237890 0.262110 C\n0.262110 0.737890 0.237890 C\n0.237890 0.262110 0.737890 C\n",
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"elements": [
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"volume": 1173.902157649854,
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"formula_full": "Si8 H96 C32",
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"updated_at": "2021-11-28T01:36:42.207000Z",
"spacegroup": 205
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{
"id": "mp-756967",
"created_at": "2022-09-04T14:44:50.651689Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.068250 0.000000 0.000000\n0.000000 5.361528 0.000000\n0.000000 0.000000 6.659233\nLi Cr O\n4 2 8\ndirect\n0.992526 0.322041 0.246404 Li\n0.492526 0.677959 0.253596 Li\n0.492526 0.677959 0.746404 Li\n0.992526 0.322041 0.753596 Li\n0.001706 0.821880 0.000000 Cr\n0.501706 0.178120 0.500000 Cr\n0.915890 0.121106 0.000000 O\n0.328594 0.796101 0.000000 O\n0.884330 0.678331 0.203248 O\n0.384330 0.321669 0.296752 O\n0.828594 0.203899 0.500000 O\n0.415890 0.878894 0.500000 O\n0.384330 0.321669 0.703248 O\n0.884330 0.678331 0.796752 O\n",
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"density": 2.383615365295378,
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"volume": 180.95509602095262,
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"formula_full": "Li4 Cr2 O8",
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{
"id": "mp-961706",
"created_at": "2022-09-04T14:44:54.137507Z",
"structure_string": "Ti1 Si1 Pt1\n1.0\n0.000000 2.949761 2.949761\n2.949761 0.000000 2.949761\n2.949761 2.949761 0.000000\nTi Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Pt\n",
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{
"id": "mp-40866",
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"structure_string": "Ca4 La4 Ti4 Mn4 O24\n1.0\n-5.564668 -5.673985 0.029521\n5.525402 0.000000 7.615779\n-5.564668 5.673985 0.029521\nCa La Ti Mn O\n4 4 4 4 24\ndirect\n0.106253 0.250932 0.654742 Ca\n0.606253 0.250932 0.154742 Ca\n0.904742 0.750932 0.856253 Ca\n0.404742 0.750932 0.356253 Ca\n0.600987 0.250028 0.640605 La\n0.100987 0.250028 0.140605 La\n0.390605 0.750028 0.850987 La\n0.890605 0.750028 0.350987 La\n0.249310 0.001188 0.750740 Ti\n0.749310 0.001188 0.250740 Ti\n0.000740 0.501188 0.999310 Ti\n0.500740 0.501188 0.499310 Ti\n0.499282 0.499297 0.999888 Mn\n0.249888 0.999297 0.249282 Mn\n0.999282 0.499297 0.499888 Mn\n0.749888 0.999297 0.749282 Mn\n0.572399 0.745367 0.095846 O\n0.072399 0.745367 0.595846 O\n0.845846 0.245367 0.822399 O\n0.345846 0.245367 0.322399 O\n0.026301 0.040478 0.809860 O\n0.526301 0.040478 0.309860 O\n0.059860 0.540478 0.776301 O\n0.559860 0.540478 0.276301 O\n0.219261 0.458091 0.016909 O\n0.719261 0.458091 0.516909 O\n0.266909 0.958091 0.969261 O\n0.766909 0.958091 0.469261 O\n0.229207 0.044042 0.532953 O\n0.729207 0.044042 0.032953 O\n0.282953 0.544042 0.479207 O\n0.782953 0.544042 0.979207 O\n0.436990 0.456389 0.720303 O\n0.936990 0.456389 0.220303 O\n0.470303 0.956389 0.686990 O\n0.970303 0.956389 0.186990 O\n0.659109 0.754187 0.679055 O\n0.159109 0.754187 0.179055 O\n0.929055 0.254187 0.409109 O\n0.429055 0.254187 0.909109 O\n",
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"spacegroup": 7
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{
"id": "mp-1020009",
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"structure_string": "Li12 Ca12 Si12 O42\n1.0\n2.573559 -4.457534 0.000000\n2.573559 4.457534 0.000000\n0.000000 0.000000 41.629126\nLi Ca Si O\n12 12 12 42\ndirect\n0.698108 0.286621 0.693122 Li\n0.713379 0.411487 0.026456 Li\n0.588513 0.301892 0.359789 Li\n0.301892 0.713379 0.193122 Li\n0.286621 0.588513 0.526456 Li\n0.411487 0.698108 0.859789 Li\n0.286621 0.698108 0.640211 Li\n0.411487 0.713379 0.306878 Li\n0.301892 0.588513 0.973544 Li\n0.713379 0.301892 0.140211 Li\n0.588513 0.286621 0.806878 Li\n0.698108 0.411487 0.473544 Li\n0.961171 0.961171 0.666667 Ca\n0.038829 0.000000 0.000000 Ca\n0.000000 0.038829 0.333333 Ca\n0.038829 0.038829 0.166667 Ca\n0.961171 0.000000 0.500000 Ca\n0.000000 0.961171 0.833333 Ca\n0.963859 0.927718 0.750000 Ca\n0.072282 0.036141 0.083333 Ca\n0.963859 0.036141 0.416667 Ca\n0.036141 0.072282 0.250000 Ca\n0.927718 0.963859 0.583333 Ca\n0.036141 0.963859 0.916667 Ca\n0.353677 0.626643 0.712490 Si\n0.373357 0.727034 0.045823 Si\n0.272966 0.646323 0.379156 Si\n0.646323 0.373357 0.212490 Si\n0.626643 0.272966 0.545823 Si\n0.727034 0.353677 0.879156 Si\n0.626643 0.353677 0.620844 Si\n0.727034 0.373357 0.287510 Si\n0.646323 0.272966 0.954177 Si\n0.373357 0.646323 0.120844 Si\n0.272966 0.626643 0.787510 Si\n0.353677 0.727034 0.454177 Si\n0.388185 0.776371 0.750000 O\n0.223629 0.611815 0.083333 O\n0.388185 0.611815 0.416667 O\n0.611815 0.223629 0.250000 O\n0.776371 0.388185 0.583333 O\n0.611815 0.388185 0.916667 O\n0.666253 0.619283 0.707713 O\n0.380717 0.046971 0.041046 O\n0.953029 0.333747 0.374379 O\n0.333747 0.380717 0.207713 O\n0.619283 0.953029 0.541046 O\n0.046971 0.666253 0.874379 O\n0.619283 0.666253 0.625621 O\n0.046971 0.380717 0.292287 O\n0.333747 0.953029 0.958954 O\n0.380717 0.333747 0.125621 O\n0.953029 0.619283 0.792287 O\n0.666253 0.046971 0.458954 O\n0.058523 0.291538 0.711453 O\n0.708462 0.766985 0.044786 O\n0.233015 0.941477 0.378120 O\n0.941477 0.708462 0.211453 O\n0.291538 0.233015 0.544786 O\n0.766985 0.058523 0.878120 O\n0.291538 0.058523 0.621880 O\n0.766985 0.708462 0.288547 O\n0.941477 0.233015 0.955214 O\n0.708462 0.941477 0.121880 O\n0.233015 0.291538 0.788547 O\n0.058523 0.766985 0.455214 O\n0.867951 0.344634 0.645531 O\n0.655366 0.523316 0.978865 O\n0.476684 0.132049 0.312198 O\n0.132049 0.655366 0.145531 O\n0.344634 0.476684 0.478865 O\n0.523316 0.867951 0.812198 O\n0.344634 0.867951 0.687802 O\n0.523316 0.655366 0.354469 O\n0.132049 0.476684 0.021135 O\n0.655366 0.132049 0.187802 O\n0.476684 0.344634 0.854469 O\n0.867951 0.523316 0.521135 O\n",
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"elements": [
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"volume": 955.1159160859619,
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"formula_full": "Li12 Ca12 Si12 O42",
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{
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