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{
"id": "mp-1096700",
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{
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{
"id": "mp-756519",
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"structure_string": "Li1 Re4 O12\n1.0\n-3.734298 3.745986 3.772160\n3.734298 -3.745986 3.772160\n3.734298 3.745986 -3.772160\nLi Re O\n1 4 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.286890 0.791973 0.078863 O\n0.215949 0.933251 0.717302 O\n0.215949 0.498647 0.282698 O\n0.934529 0.718814 0.215714 O\n0.496900 0.281186 0.215714 O\n0.713110 0.791973 0.505084 O\n0.286890 0.208027 0.494916 O\n0.065471 0.281186 0.784286 O\n0.503100 0.718814 0.784286 O\n0.784051 0.501353 0.717302 O\n0.784051 0.066749 0.282698 O\n0.713110 0.208027 0.921137 O\n",
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"elements": [
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"formula_full": "Li1 Re4 O12",
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"formula_anonymous": "AB4C12",
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"spacegroup": 71
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{
"id": "mp-1218388",
"created_at": "2022-09-04T14:40:52.616442Z",
"structure_string": "Sr4 V2 Mo2 O12\n1.0\n-0.000017 4.002283 4.002287\n0.000020 -4.002547 4.002551\n8.006636 -0.000027 0.000003\nSr V Mo O\n4 2 2 12\ndirect\n0.499999 0.000002 0.250227 Sr\n0.500001 0.999998 0.749773 Sr\n0.999999 0.500002 0.250198 Sr\n0.000002 0.499998 0.749802 Sr\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.999998 0.000001 0.260520 O\n0.000002 0.999999 0.739480 O\n0.500000 0.500000 0.241656 O\n0.500000 0.500000 0.758345 O\n0.248525 0.248490 0.999999 O\n0.239442 0.239401 0.500000 O\n0.751475 0.751510 0.000001 O\n0.760557 0.760599 0.500000 O\n0.248526 0.751528 0.000001 O\n0.239467 0.760575 0.500004 O\n0.751475 0.248472 0.999999 O\n0.760533 0.239425 0.499996 O\n",
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"formula_full": "Sr4 V2 Mo2 O12",
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"spacegroup": 123
},
{
"id": "mp-1029491",
"created_at": "2022-09-04T14:40:52.623586Z",
"structure_string": "Cs4 Co4 N4\n1.0\n3.519496 0.000000 0.000000\n0.000000 7.274685 0.000000\n0.000000 0.000000 10.533203\nCs Co N\n4 4 4\ndirect\n0.250000 0.045527 0.677541 Cs\n0.250000 0.454473 0.177541 Cs\n0.750000 0.954473 0.322459 Cs\n0.750000 0.545527 0.822459 Cs\n0.250000 0.601092 0.521451 Co\n0.250000 0.898908 0.021451 Co\n0.750000 0.398908 0.478549 Co\n0.750000 0.101092 0.978549 Co\n0.250000 0.150411 0.966997 N\n0.250000 0.349589 0.466997 N\n0.750000 0.849589 0.033003 N\n0.750000 0.650411 0.533003 N\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.06984894971049,
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"volume": 269.6839638386451,
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"formula_full": "Cs4 Co4 N4",
"formula_reduced": "CsCoN",
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"spacegroup": 62
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{
"id": "mp-698419",
"created_at": "2022-09-04T14:40:52.625256Z",
"structure_string": "Zn4 H24 C8 N8 Cl16\n1.0\n13.144778 0.000000 0.000000\n0.000000 7.536068 0.000000\n0.000000 1.481873 13.567945\nZn H C N Cl\n4 24 8 8 16\ndirect\n0.586431 0.737794 0.293602 Zn\n0.086431 0.262206 0.206398 Zn\n0.413569 0.262206 0.706398 Zn\n0.913569 0.737794 0.793602 Zn\n0.120672 0.525254 0.542368 H\n0.620672 0.474746 0.957632 H\n0.879328 0.474746 0.457632 H\n0.379328 0.525254 0.042368 H\n0.357045 0.790926 0.374193 H\n0.857045 0.209074 0.125807 H\n0.642955 0.209074 0.625807 H\n0.142955 0.790926 0.874193 H\n0.961524 0.849347 0.121596 H\n0.461524 0.150653 0.378404 H\n0.038476 0.150653 0.878404 H\n0.538476 0.849347 0.621596 H\n0.593660 0.705620 0.540325 H\n0.093660 0.294380 0.959675 H\n0.406340 0.294380 0.459675 H\n0.906340 0.705620 0.040325 H\n0.826419 0.857527 0.093239 H\n0.326419 0.142473 0.406761 H\n0.173581 0.142473 0.906761 H\n0.673581 0.857527 0.593239 H\n0.876519 0.675269 0.169865 H\n0.376519 0.324731 0.330135 H\n0.123481 0.324731 0.830135 H\n0.623481 0.675269 0.669865 H\n0.865542 0.594083 0.408994 C\n0.365542 0.405917 0.091006 C\n0.134458 0.405917 0.591006 C\n0.634458 0.594083 0.908994 C\n0.893187 0.772800 0.106369 C\n0.393187 0.227200 0.393631 C\n0.106813 0.227200 0.893631 C\n0.606813 0.772800 0.606369 C\n0.061827 0.946393 0.374254 N\n0.561827 0.053607 0.125746 N\n0.938173 0.053607 0.625746 N\n0.438173 0.946393 0.874254 N\n0.851045 0.724643 0.357321 N\n0.351045 0.275357 0.142679 N\n0.148955 0.275357 0.642679 N\n0.648955 0.724643 0.857321 N\n0.611696 0.651339 0.144899 Cl\n0.111696 0.348661 0.355101 Cl\n0.388304 0.348661 0.855101 Cl\n0.888304 0.651339 0.644899 Cl\n0.372970 0.785664 0.281504 Cl\n0.872970 0.214336 0.218496 Cl\n0.627030 0.214336 0.718496 Cl\n0.127030 0.785664 0.781504 Cl\n0.596566 0.495576 0.403651 Cl\n0.096566 0.504424 0.096349 Cl\n0.403434 0.504424 0.596349 Cl\n0.903434 0.495576 0.903651 Cl\n0.626956 0.992585 0.348592 Cl\n0.126956 0.007415 0.151408 Cl\n0.373044 0.007415 0.651408 Cl\n0.873044 0.992585 0.848592 Cl\n",
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{
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"structure_string": "Eu4 V4 O12\n1.0\n5.483742 0.000000 0.000000\n0.000000 5.558078 0.000000\n0.000000 0.000000 7.745530\nEu V O\n4 4 12\ndirect\n0.992692 0.039437 0.250000 Eu\n0.492692 0.460563 0.750000 Eu\n0.507308 0.539437 0.250000 Eu\n0.007308 0.960563 0.750000 Eu\n0.500000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.569062 0.014671 0.750000 O\n0.215084 0.209130 0.536629 O\n0.215084 0.209130 0.963371 O\n0.715084 0.290870 0.036629 O\n0.715084 0.290870 0.463371 O\n0.069062 0.485329 0.250000 O\n0.930938 0.514671 0.750000 O\n0.284916 0.709130 0.963371 O\n0.284916 0.709130 0.536629 O\n0.784916 0.790870 0.036629 O\n0.784916 0.790870 0.463371 O\n0.430938 0.985329 0.250000 O\n",
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{
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"structure_string": "Na3 Mg4 Sc1 Si8 O22 F2\n1.0\n5.268176 0.468661 0.875825\n0.728065 8.661720 4.828909\n-0.571440 -0.031165 10.371993\nNa Mg Sc Si O F\n3 4 1 8 22 2\ndirect\n0.499819 0.278117 0.443840 Na\n0.499819 0.726968 0.545306 Na\n0.927616 0.528696 0.000321 Na\n0.000404 0.997898 0.004364 Mg\n0.499934 0.086862 0.826857 Mg\n0.499823 0.910396 0.180172 Mg\n0.000047 0.818135 0.364145 Mg\n0.999925 0.183128 0.634631 Sc\n0.207926 0.118076 0.335885 Si\n0.206889 0.459954 0.660664 Si\n0.285626 0.634152 0.168920 Si\n0.286806 0.801151 0.832912 Si\n0.714113 0.196397 0.169549 Si\n0.712547 0.365654 0.833260 Si\n0.791468 0.546688 0.336696 Si\n0.792003 0.881400 0.659273 Si\n0.068338 0.526464 0.249516 O\n0.197749 0.115648 0.493760 O\n0.068164 0.778399 0.750494 O\n0.200874 0.607731 0.503736 O\n0.273801 0.285554 0.668509 O\n0.216093 0.802167 0.167191 O\n0.291228 0.654610 0.000592 O\n0.432176 0.222857 0.242423 O\n0.214319 0.970500 0.831998 O\n0.271846 0.953286 0.331797 O\n0.430488 0.461797 0.761226 O\n0.571668 0.536493 0.238286 O\n0.705440 0.344215 0.001169 O\n0.724057 0.047236 0.667603 O\n0.784506 0.030346 0.166894 O\n0.573274 0.775192 0.764612 O\n0.785883 0.196782 0.832750 O\n0.726130 0.715516 0.332135 O\n0.799693 0.391333 0.493563 O\n0.930192 0.224684 0.249956 O\n0.795814 0.889054 0.503214 O\n0.930442 0.471561 0.751449 O\n0.293732 0.099656 0.000339 F\n0.709328 0.897247 0.999991 F\n",
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{
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