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{
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{
"id": "mp-707484",
"created_at": "2022-09-04T14:46:41.719933Z",
"structure_string": "Cu4 H8 N8 O28\n1.0\n9.576684 0.000000 0.000000\n0.000000 6.468722 0.000000\n0.000000 2.499095 10.571821\nCu H N O\n4 8 8 28\ndirect\n0.082799 0.025592 0.784050 Cu\n0.582799 0.974408 0.715950 Cu\n0.917201 0.974408 0.215950 Cu\n0.417201 0.025592 0.284050 Cu\n0.857801 0.050383 0.403675 H\n0.357801 0.949617 0.096325 H\n0.142199 0.949617 0.596325 H\n0.642199 0.050383 0.903675 H\n0.389514 0.795562 0.661638 H\n0.889514 0.204438 0.838362 H\n0.610486 0.204438 0.338362 H\n0.110486 0.795562 0.161638 H\n0.793904 0.411141 0.013671 N\n0.293904 0.588859 0.486329 N\n0.206096 0.588859 0.986329 N\n0.706096 0.411141 0.513671 N\n0.367528 0.105800 0.854602 N\n0.867528 0.894200 0.645398 N\n0.632472 0.894200 0.145398 N\n0.132472 0.105800 0.354602 N\n0.897711 0.282364 0.047567 O\n0.397711 0.717636 0.452433 O\n0.102289 0.717636 0.952433 O\n0.602289 0.282364 0.547567 O\n0.792646 0.523682 0.904681 O\n0.292646 0.476318 0.595319 O\n0.207354 0.476318 0.095319 O\n0.707354 0.523682 0.404681 O\n0.698985 0.413601 0.091779 O\n0.198985 0.586399 0.408221 O\n0.301015 0.586399 0.908221 O\n0.801015 0.413601 0.591779 O\n0.398405 0.068691 0.749295 O\n0.898405 0.931309 0.750705 O\n0.601595 0.931309 0.250705 O\n0.101595 0.068691 0.249295 O\n0.239874 0.119637 0.876416 O\n0.739874 0.880363 0.623584 O\n0.760126 0.880363 0.123584 O\n0.260126 0.119637 0.376416 O\n0.671794 0.120851 0.818077 O\n0.171794 0.879149 0.681923 O\n0.328206 0.879149 0.181923 O\n0.828206 0.120851 0.318077 O\n0.990903 0.214651 0.853354 O\n0.490903 0.785349 0.646646 O\n0.009097 0.785349 0.146646 O\n0.509097 0.214651 0.353354 O\n",
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"formula_full": "Cu4 H8 N8 O28",
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{
"id": "mp-541758",
"created_at": "2022-09-04T14:46:41.739381Z",
"structure_string": "Ta4 Se34 Br24\n1.0\n12.317985 0.000000 0.000000\n-2.409615 13.951843 0.000000\n-1.874623 -5.644274 12.865242\nTa Se Br\n4 34 24\ndirect\n0.689377 0.276414 0.479319 Ta\n0.310623 0.723586 0.520681 Ta\n0.842725 0.720501 0.990752 Ta\n0.157275 0.279499 0.009248 Ta\n0.478832 0.826560 0.980468 Se\n0.521168 0.173440 0.019532 Se\n0.328848 0.904708 0.974901 Se\n0.671152 0.095292 0.025099 Se\n0.340298 0.015449 0.152420 Se\n0.659702 0.984551 0.847580 Se\n0.279511 0.899904 0.227648 Se\n0.720489 0.100096 0.772352 Se\n0.448729 0.838232 0.245183 Se\n0.551271 0.161768 0.754817 Se\n0.388286 0.662842 0.148194 Se\n0.611714 0.337158 0.851806 Se\n0.393719 0.648523 0.962799 Se\n0.606281 0.351477 0.037201 Se\n0.194836 0.630424 0.923481 Se\n0.805164 0.369576 0.076519 Se\n0.161988 0.583590 0.742138 Se\n0.838012 0.416410 0.257862 Se\n0.122410 0.399772 0.671484 Se\n0.877590 0.600228 0.328516 Se\n0.304634 0.368117 0.653946 Se\n0.695366 0.631883 0.346054 Se\n0.247619 0.190823 0.665599 Se\n0.752381 0.809177 0.334401 Se\n0.243921 0.069610 0.504238 Se\n0.756079 0.930390 0.495762 Se\n0.054718 0.031601 0.408393 Se\n0.945282 0.968399 0.591607 Se\n0.086936 0.108670 0.290810 Se\n0.913064 0.891330 0.709190 Se\n0.124977 0.292252 0.389436 Se\n0.875023 0.707748 0.610564 Se\n0.312809 0.331373 0.472656 Se\n0.687191 0.668627 0.527344 Se\n0.848559 0.434076 0.511631 Br\n0.151441 0.565924 0.488369 Br\n0.604235 0.391794 0.623197 Br\n0.395765 0.608206 0.376803 Br\n0.539254 0.117896 0.451308 Br\n0.460746 0.882104 0.548692 Br\n0.770916 0.165514 0.334984 Br\n0.229084 0.834486 0.665016 Br\n0.567875 0.322105 0.352887 Br\n0.432125 0.677895 0.647113 Br\n0.813454 0.242010 0.615144 Br\n0.186546 0.757990 0.384856 Br\n0.795730 0.886952 0.109347 Br\n0.204270 0.113048 0.890653 Br\n0.980290 0.728513 0.142481 Br\n0.019710 0.271487 0.857519 Br\n0.885394 0.551533 0.879072 Br\n0.114606 0.448467 0.120928 Br\n0.693597 0.705846 0.841826 Br\n0.306403 0.294154 0.158174 Br\n0.681965 0.615047 0.043149 Br\n0.318035 0.384953 0.956851 Br\n0.989392 0.826789 0.939595 Br\n0.010608 0.173211 0.060405 Br\n",
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"volume": 2211.002386104564,
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"formula_full": "Ta4 Se34 Br24",
"formula_reduced": "Ta2Se17Br12",
"formula_anonymous": "A2B12C17",
"energy": -257.90506893,
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"spacegroup": 2
},
{
"id": "mp-673669",
"created_at": "2022-09-04T14:46:41.757999Z",
"structure_string": "In8 Sn6 O24\n1.0\n6.309762 0.000000 0.000000\n-1.020341 6.255970 0.000000\n-2.055614 -2.434854 12.212398\nIn Sn O\n8 6 24\ndirect\n0.397043 0.863810 0.846477 In\n0.309395 0.601556 0.066536 In\n0.859824 0.687907 0.197595 In\n0.313300 0.605048 0.569299 In\n0.690618 0.396179 0.433160 In\n0.137888 0.310705 0.801743 In\n0.602376 0.134210 0.153342 In\n0.603266 0.134830 0.656575 In\n0.396212 0.864371 0.344871 Sn\n0.001899 0.999436 0.500691 Sn\n0.001010 0.000896 0.998973 Sn\n0.861653 0.685205 0.698835 Sn\n0.132965 0.316180 0.300417 Sn\n0.685920 0.398402 0.931804 Sn\n0.312045 0.937798 0.042421 O\n0.067824 0.902225 0.343490 O\n0.317255 0.942710 0.542105 O\n0.575208 0.825844 0.216155 O\n0.048309 0.903354 0.838909 O\n0.900515 0.684733 0.026213 O\n0.587943 0.816949 0.709720 O\n0.179981 0.575653 0.212225 O\n0.410505 0.582788 0.406237 O\n0.906525 0.690624 0.534058 O\n0.165895 0.582856 0.707885 O\n0.585998 0.419906 0.086422 O\n0.429917 0.578464 0.909867 O\n0.825163 0.412411 0.290968 O\n0.093999 0.310220 0.464377 O\n0.593563 0.424343 0.591689 O\n0.820193 0.432447 0.795258 O\n0.405445 0.176073 0.293447 O\n0.085531 0.314366 0.969949 O\n0.950454 0.092070 0.160829 O\n0.428792 0.180797 0.796456 O\n0.682776 0.048237 0.448009 O\n0.942297 0.095054 0.655805 O\n0.690500 0.071342 0.957187 O\n",
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"elements": [
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"density": 6.94017166371767,
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"volume": 482.0683124122058,
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"formula_full": "In8 Sn6 O24",
"formula_reduced": "In4(SnO4)3",
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"energy": -241.2076334,
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"updated_at": "2021-11-28T01:37:45.062000Z",
"spacegroup": 1
},
{
"id": "mp-22806",
"created_at": "2022-09-04T14:46:41.760006Z",
"structure_string": "Fe2 P4 Pb1 O14\n1.0\n4.876120 0.000000 0.000000\n-2.069344 -6.900822 0.000000\n-0.366873 0.034415 -8.008684\nFe P Pb O\n2 4 1 14\ndirect\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.384720 0.770984 0.296607 P\n0.615280 0.229016 0.703393 P\n0.970687 0.381741 0.246844 P\n0.029313 0.618259 0.753156 P\n0.000000 0.000000 0.000000 Pb\n0.485937 0.757500 0.116534 O\n0.514063 0.242500 0.883466 O\n0.185872 0.904170 0.293080 O\n0.814128 0.095830 0.706920 O\n0.624061 0.821618 0.429092 O\n0.302550 0.563575 0.795809 O\n0.697450 0.436425 0.204191 O\n0.877975 0.648798 0.913282 O\n0.122025 0.351202 0.086718 O\n0.085207 0.799694 0.647995 O\n0.914793 0.200306 0.352005 O\n0.806057 0.444149 0.651571 O\n0.193943 0.555851 0.348429 O\n0.375939 0.178382 0.570908 O\n",
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"elements": [
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],
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"formula_full": "Fe2 P4 Pb1 O14",
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{
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"created_at": "2022-09-04T14:46:42.268181Z",
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{
"id": "mp-1182282",
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"structure_string": "Cr2 Cu3 O12 F12\n1.0\n7.514053 0.000000 0.000000\n-0.862699 7.645699 0.000000\n-1.189889 -1.403458 7.531278\nCr Cu O F\n2 3 12 12\ndirect\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.160713 0.836581 0.935205 O\n0.839287 0.163419 0.064795 O\n0.248667 0.995718 0.968526 O\n0.751333 0.004282 0.031474 O\n0.092814 0.498172 0.282073 O\n0.907186 0.501828 0.717927 O\n0.210327 0.450192 0.398162 O\n0.789673 0.549808 0.601838 O\n0.492641 0.141255 0.320728 O\n0.507359 0.858745 0.679272 O\n0.454012 0.759079 0.524542 O\n0.545988 0.240921 0.475458 O\n0.086343 0.960235 0.281661 F\n0.913657 0.039765 0.718339 F\n0.086439 0.792633 0.560423 F\n0.913561 0.207367 0.439577 F\n0.224329 0.126266 0.600392 F\n0.775671 0.873734 0.399608 F\n0.442529 0.714676 0.088457 F\n0.557471 0.285324 0.911543 F\n0.275001 0.392895 0.002140 F\n0.724999 0.607105 0.997860 F\n0.423804 0.532790 0.775630 F\n0.576196 0.467210 0.224370 F\n",
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{
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"structure_string": "K1 As4 Cl1 O6\n1.0\n2.666357 -4.618267 0.000000\n2.666357 4.618267 0.000000\n0.000000 0.000000 9.168444\nK As Cl O\n1 4 1 6\ndirect\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.796228 As\n0.666667 0.333333 0.796228 As\n0.666667 0.333333 0.203772 As\n0.333333 0.666667 0.203772 As\n0.000000 0.000000 0.000000 Cl\n0.500000 0.000000 0.687216 O\n0.500000 0.000000 0.312784 O\n0.500000 0.500000 0.687216 O\n0.000000 0.500000 0.687216 O\n0.500000 0.500000 0.312784 O\n0.000000 0.500000 0.312784 O\n",
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"volume": 225.79949527660366,
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"formula_full": "K1 As4 Cl1 O6",
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{
"id": "mp-1185663",
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"structure_string": "Mg16 Al12 Ga1\n1.0\n5.254248 -7.429902 0.000000\n5.254248 7.429902 0.000000\n-5.252191 0.000000 7.431356\nMg Al Ga\n16 12 1\ndirect\n0.406691 0.406691 0.708400 Mg\n0.997615 0.997615 0.997615 Mg\n0.998387 0.998387 0.344237 Mg\n0.684754 0.684754 0.285395 Mg\n0.598360 0.316815 0.999101 Mg\n0.708400 0.406691 0.406691 Mg\n0.316815 0.999101 0.598360 Mg\n0.344237 0.998387 0.998387 Mg\n0.684754 0.285395 0.684754 Mg\n0.999101 0.598360 0.316815 Mg\n0.598360 0.999101 0.316815 Mg\n0.285395 0.684754 0.684754 Mg\n0.998387 0.344237 0.998387 Mg\n0.999101 0.316815 0.598360 Mg\n0.406691 0.708400 0.406691 Mg\n0.316815 0.598360 0.999101 Mg\n0.359636 0.359636 0.173135 Al\n0.185839 0.185839 0.812334 Al\n0.816189 0.633142 0.001720 Al\n0.001720 0.816189 0.633142 Al\n0.359636 0.173135 0.359636 Al\n0.001720 0.633142 0.816189 Al\n0.185839 0.812334 0.185839 Al\n0.812334 0.185839 0.185839 Al\n0.633142 0.001720 0.816189 Al\n0.173135 0.359636 0.359636 Al\n0.816189 0.001720 0.633142 Al\n0.633142 0.816189 0.001720 Al\n0.677610 0.677610 0.677610 Ga\n",
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{
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