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{
"id": "mp-865965",
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{
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{
"id": "mp-758221",
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"structure_string": "Ca2 H24 S4 N4 O20\n1.0\n3.830295 5.890366 0.000000\n-3.830295 5.890366 0.000000\n0.000000 1.888269 11.640348\nCa H S N O\n2 24 4 4 20\ndirect\n0.074260 0.925740 0.750000 Ca\n0.925740 0.074260 0.250000 Ca\n0.807002 0.015938 0.988640 H\n0.015938 0.807002 0.488640 H\n0.799613 0.814676 0.943412 H\n0.814676 0.799613 0.443412 H\n0.656522 0.685853 0.692600 H\n0.827649 0.444608 0.643010 H\n0.442795 0.701173 0.898792 H\n0.685853 0.656522 0.192600 H\n0.444608 0.827649 0.143010 H\n0.701173 0.442795 0.398792 H\n0.355791 0.737577 0.535352 H\n0.262423 0.644209 0.964648 H\n0.737577 0.355791 0.035352 H\n0.644209 0.262423 0.464648 H\n0.298827 0.557205 0.601208 H\n0.555392 0.172351 0.856990 H\n0.314147 0.343478 0.807400 H\n0.557205 0.298827 0.101208 H\n0.172351 0.555392 0.356990 H\n0.343478 0.314147 0.307400 H\n0.185324 0.200387 0.556588 H\n0.200387 0.185324 0.056588 H\n0.984062 0.192998 0.511360 H\n0.192998 0.984062 0.011360 H\n0.887507 0.482130 0.816579 S\n0.482130 0.887507 0.316579 S\n0.517870 0.112493 0.683421 S\n0.112493 0.517870 0.183421 S\n0.744714 0.529693 0.710717 N\n0.529693 0.744714 0.210717 N\n0.470307 0.255286 0.789283 N\n0.255286 0.470307 0.289283 N\n0.813568 0.948143 0.919420 O\n0.948143 0.813568 0.419420 O\n0.422459 0.956393 0.708394 O\n0.739275 0.574580 0.916226 O\n0.991523 0.253232 0.833223 O\n0.956393 0.422459 0.208394 O\n0.574580 0.739275 0.416226 O\n0.253232 0.991523 0.333223 O\n0.289339 0.756308 0.914296 O\n0.756308 0.289339 0.414296 O\n0.243692 0.710661 0.585704 O\n0.710661 0.243692 0.085704 O\n0.746768 0.008477 0.666777 O\n0.425420 0.260725 0.583774 O\n0.043607 0.577541 0.791606 O\n0.008477 0.746768 0.166777 O\n0.260725 0.425420 0.083774 O\n0.577541 0.043607 0.291606 O\n0.051857 0.186432 0.580580 O\n0.186432 0.051857 0.080580 O\n",
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"formula_full": "Ca2 H24 S4 N4 O20",
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{
"id": "mp-556750",
"created_at": "2022-09-04T14:42:18.177792Z",
"structure_string": "Co1 O2\n1.0\n1.535388 2.402946 0.000000\n-1.535388 2.402946 0.000000\n0.000000 0.736696 10.635734\nCo O\n1 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.205083 0.205083 0.407263 O\n0.794917 0.794917 0.592737 O\n",
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{
"id": "mp-1027957",
"created_at": "2022-09-04T14:46:33.642545Z",
"structure_string": "K1 Mg14 Zn1\n1.0\n6.495296 -0.000000 0.000000\n-3.247648 5.625090 -0.000000\n0.000000 0.000000 10.507745\nK Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163139 0.831569 0.125000 Mg\n0.174164 0.837082 0.625000 Mg\n0.668431 0.336861 0.125000 Mg\n0.662918 0.325836 0.625000 Mg\n0.668431 0.831569 0.125000 Mg\n0.662918 0.837082 0.625000 Mg\n0.335267 0.164733 0.357694 Mg\n0.335267 0.164733 0.892306 Mg\n0.335267 0.670536 0.357694 Mg\n0.335267 0.670536 0.892306 Mg\n0.829464 0.164733 0.357694 Mg\n0.829464 0.164733 0.892306 Mg\n0.833333 0.666667 0.379628 Mg\n0.833333 0.666667 0.870372 Mg\n0.166667 0.333333 0.125000 Zn\n",
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{
"id": "mp-1021848",
"created_at": "2022-09-04T14:40:55.317849Z",
"structure_string": "K1 Mg6 V1\n1.0\n7.675136 0.000000 0.000000\n0.000000 7.675136 0.000000\n0.000000 0.000000 3.456238\nK Mg V\n1 6 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.788748 0.211252 0.000000 Mg\n0.211252 0.788748 0.000000 Mg\n0.788748 0.788748 0.000000 Mg\n0.211252 0.211252 0.000000 Mg\n0.000000 0.000000 0.500000 V\n",
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{
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"created_at": "2022-09-04T14:47:04.889975Z",
"structure_string": "H14 Br2 O6\n1.0\n6.215500 0.000000 0.000000\n0.174822 6.314162 0.000000\n2.659400 0.362939 5.936762\nH Br O\n14 2 6\ndirect\n0.784257 0.472788 0.189724 H\n0.040600 0.503157 0.180443 H\n0.310767 0.899975 0.363884 H\n0.472476 0.049436 0.155916 H\n0.558305 0.728439 0.707844 H\n0.703404 0.710995 0.441185 H\n0.713861 0.998523 0.557211 H\n0.857791 0.135367 0.690090 H\n0.831056 0.268308 0.459565 H\n0.080462 0.747706 0.701559 H\n0.990000 0.650668 0.534607 H\n0.267978 0.243823 0.705284 H\n0.269773 0.453295 0.544469 H\n0.343738 0.195704 0.432304 H\n0.460866 0.541421 0.010833 Br\n0.971927 0.034606 0.941766 Br\n0.871426 0.485573 0.285568 O\n0.334148 0.048816 0.298812 O\n0.614817 0.811721 0.556865 O\n0.775086 0.152190 0.584079 O\n0.131840 0.670762 0.561019 O\n0.353289 0.312386 0.550066 O\n",
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{
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{
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"structure_string": "K1 Y1 Mg14\n1.0\n6.637377 -0.000132 0.000000\n-3.318803 5.748335 0.000000\n0.000000 0.000000 10.595525\nK Y Mg\n1 1 14\ndirect\n0.166143 0.833071 0.125000 K\n0.172309 0.336154 0.125000 Y\n0.165400 0.332699 0.625000 Mg\n0.166585 0.833292 0.625000 Mg\n0.662477 0.328392 0.125000 Mg\n0.667518 0.334028 0.625000 Mg\n0.662477 0.834085 0.125000 Mg\n0.667518 0.833489 0.625000 Mg\n0.339455 0.176173 0.386876 Mg\n0.339455 0.176173 0.863124 Mg\n0.339455 0.663283 0.386876 Mg\n0.339455 0.663283 0.863124 Mg\n0.832555 0.166278 0.376484 Mg\n0.832555 0.166278 0.873516 Mg\n0.823321 0.661661 0.382715 Mg\n0.823321 0.661661 0.867285 Mg\n",
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{
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{
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"structure_string": "Ca1 Mg14 V1\n1.0\n6.453903 0.000000 0.000000\n-3.226951 5.589243 0.000000\n-0.000000 -0.000000 10.322988\nCa Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176063 0.838031 0.125000 Mg\n0.165966 0.832982 0.625000 Mg\n0.661969 0.323937 0.125000 Mg\n0.667018 0.334034 0.625000 Mg\n0.661969 0.838031 0.125000 Mg\n0.667018 0.832982 0.625000 Mg\n0.332600 0.167400 0.387243 Mg\n0.332600 0.167400 0.862757 Mg\n0.332600 0.665200 0.387243 Mg\n0.332600 0.665200 0.862757 Mg\n0.834800 0.167400 0.387243 Mg\n0.834800 0.167400 0.862757 Mg\n0.833333 0.666667 0.369249 Mg\n0.833333 0.666667 0.880751 Mg\n0.166667 0.333333 0.625000 V\n",
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},
{
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"structure_string": "Ni2 P12 N8 O44\n1.0\n13.170584 0.000000 0.000000\n0.000000 9.105181 0.000000\n0.000000 1.098314 9.396468\nNi P N O\n2 12 8 44\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.833054 0.196044 0.144707 P\n0.333054 0.303956 0.855293 P\n0.166946 0.803956 0.855293 P\n0.666946 0.696044 0.144707 P\n0.839539 0.231685 0.451575 P\n0.339539 0.268315 0.548425 P\n0.160461 0.768315 0.548425 P\n0.660461 0.731685 0.451575 P\n0.946518 0.449679 0.248317 P\n0.446518 0.050321 0.751683 P\n0.053482 0.550321 0.751683 P\n0.553482 0.949679 0.248317 P\n0.148376 0.189618 0.507426 N\n0.648376 0.310382 0.492574 N\n0.851624 0.810382 0.492574 N\n0.351624 0.689618 0.507426 N\n0.643815 0.035663 0.778862 N\n0.143815 0.464337 0.221138 N\n0.356185 0.964337 0.221138 N\n0.856185 0.535663 0.778862 N\n0.915093 0.081948 0.153089 O\n0.415093 0.418052 0.846911 O\n0.084907 0.918052 0.846911 O\n0.584907 0.581948 0.153089 O\n0.891824 0.362716 0.138323 O\n0.391824 0.137284 0.861677 O\n0.108176 0.637284 0.861677 O\n0.608176 0.862716 0.138323 O\n0.788465 0.189709 0.312580 O\n0.288465 0.310291 0.687420 O\n0.211535 0.810291 0.687420 O\n0.711535 0.689709 0.312580 O\n0.747496 0.210937 0.045927 O\n0.247496 0.289063 0.954073 O\n0.252504 0.789063 0.954073 O\n0.752504 0.710937 0.045927 O\n0.742544 0.320148 0.528379 O\n0.242544 0.179852 0.471621 O\n0.257456 0.679852 0.471621 O\n0.757456 0.820148 0.528379 O\n0.550993 0.110287 0.228537 O\n0.050993 0.389713 0.771463 O\n0.449007 0.889713 0.771463 O\n0.949007 0.610287 0.228537 O\n0.885045 0.120844 0.555274 O\n0.385045 0.379156 0.444726 O\n0.114955 0.879156 0.444726 O\n0.614955 0.620844 0.555274 O\n0.567613 0.123408 0.750974 O\n0.067613 0.376592 0.249026 O\n0.432387 0.876592 0.249026 O\n0.932387 0.623408 0.750974 O\n0.909301 0.375005 0.402878 O\n0.409301 0.124995 0.597122 O\n0.090699 0.624995 0.597122 O\n0.590699 0.875005 0.402878 O\n0.906916 0.082321 0.852171 O\n0.406916 0.417679 0.147829 O\n0.093084 0.917679 0.147829 O\n0.593084 0.582321 0.852171 O\n0.620521 0.447258 0.890949 O\n0.120521 0.052742 0.109051 O\n0.379479 0.552742 0.109051 O\n0.879479 0.947258 0.890949 O\n",
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}
]
}