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{
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"structure_string": "V4 Co1 Cu1 O12\n1.0\n6.586098 0.016119 -0.018305\n-0.685327 6.550364 0.018305\n-1.380255 1.240323 5.709044\nV Co Cu O\n4 1 1 12\ndirect\n0.205346 0.614563 0.757058 V\n0.390472 0.786811 0.267911 V\n0.614563 0.205346 0.742942 V\n0.786811 0.390472 0.232089 V\n0.918833 0.918833 0.250000 Co\n0.084413 0.084413 0.750000 Cu\n0.034508 0.815152 0.641942 O\n0.079131 0.376369 0.766381 O\n0.202243 0.964594 0.182810 O\n0.374242 0.638330 0.557167 O\n0.376369 0.079131 0.733619 O\n0.343550 0.632058 0.046937 O\n0.638330 0.374242 0.942833 O\n0.629498 0.909887 0.280116 O\n0.632058 0.343550 0.453063 O\n0.815152 0.034508 0.858058 O\n0.909887 0.629498 0.219884 O\n0.964594 0.202243 0.317190 O\n",
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{
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{
"id": "mp-757452",
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"structure_string": "Mn3 Fe2 Co1 P6 O24\n1.0\n7.286332 -4.267521 0.000000\n7.286332 4.267521 0.000000\n4.786894 0.000000 6.956149\nMn Fe Co P O\n3 2 1 6 24\ndirect\n0.641336 0.641336 0.641336 Mn\n0.858773 0.858773 0.858773 Mn\n0.358027 0.358027 0.358027 Mn\n0.000959 0.000959 0.000959 Fe\n0.499263 0.499263 0.499263 Fe\n0.140357 0.140357 0.140357 Co\n0.960651 0.248383 0.539588 P\n0.539588 0.960651 0.248383 P\n0.248383 0.539588 0.960651 P\n0.752160 0.458328 0.039673 P\n0.458328 0.039673 0.752160 P\n0.039673 0.752160 0.458328 P\n0.509903 0.117730 0.310973 O\n0.310973 0.509903 0.117730 O\n0.117730 0.310973 0.509903 O\n0.941407 0.089122 0.743645 O\n0.991090 0.186147 0.383030 O\n0.758977 0.412871 0.557956 O\n0.743645 0.941407 0.089122 O\n0.557956 0.758977 0.412871 O\n0.813114 0.617314 0.007571 O\n0.412871 0.557956 0.758977 O\n0.915880 0.257963 0.055447 O\n0.617314 0.007571 0.813114 O\n0.383030 0.991090 0.186147 O\n0.089122 0.743645 0.941407 O\n0.586669 0.445602 0.237855 O\n0.186147 0.383030 0.991090 O\n0.445602 0.237855 0.586669 O\n0.257963 0.055447 0.915880 O\n0.237855 0.586669 0.445602 O\n0.007571 0.813114 0.617314 O\n0.055447 0.915880 0.257963 O\n0.883131 0.683483 0.495622 O\n0.683483 0.495622 0.883131 O\n0.495622 0.883131 0.683483 O\n",
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"formula_full": "Mn3 Fe2 Co1 P6 O24",
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{
"id": "mp-28334",
"created_at": "2022-09-04T14:39:38.959102Z",
"structure_string": "Tl16 Si4 Se16\n1.0\n3.746369 6.089884 0.000000\n-3.746369 6.089884 0.000000\n0.000000 4.287538 24.918345\nTl Si Se\n16 4 16\ndirect\n0.175116 0.824884 0.250000 Tl\n0.824884 0.175116 0.750000 Tl\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.052394 0.337995 0.336421 Tl\n0.662005 0.947606 0.163579 Tl\n0.947606 0.662005 0.663579 Tl\n0.337995 0.052394 0.836421 Tl\n0.905833 0.324919 0.174964 Tl\n0.675081 0.094167 0.325036 Tl\n0.094167 0.675081 0.825036 Tl\n0.324919 0.905833 0.674964 Tl\n0.278804 0.350641 0.499898 Tl\n0.649359 0.721196 0.000102 Tl\n0.721196 0.649359 0.500102 Tl\n0.350641 0.278804 0.999898 Tl\n0.440437 0.686487 0.376479 Si\n0.686487 0.440437 0.876479 Si\n0.559563 0.313513 0.623521 Si\n0.313513 0.559563 0.123521 Si\n0.601205 0.694503 0.291336 Se\n0.704762 0.108867 0.881695 Se\n0.108867 0.704762 0.381695 Se\n0.295238 0.891133 0.118305 Se\n0.340284 0.625189 0.577690 Se\n0.891133 0.295238 0.618305 Se\n0.659716 0.374811 0.422310 Se\n0.625189 0.340284 0.077690 Se\n0.967780 0.412437 0.917300 Se\n0.587563 0.032220 0.582700 Se\n0.032220 0.587563 0.082700 Se\n0.412437 0.967780 0.417300 Se\n0.305497 0.398795 0.208664 Se\n0.398795 0.305497 0.708664 Se\n0.694503 0.601205 0.791336 Se\n0.374811 0.659716 0.922310 Se\n",
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"elements": [
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"density": 6.78491011693651,
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"formula_full": "Tl16 Si4 Se16",
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{
"id": "mp-559899",
"created_at": "2022-09-04T14:39:38.967580Z",
"structure_string": "Ba2 V2 Cu8 P8 O34\n1.0\n9.734556 0.000000 0.000000\n0.000000 9.734556 0.000000\n0.000000 0.000000 7.346866\nBa V Cu P O\n2 2 8 8 34\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.956353 V\n0.500000 0.000000 0.043647 V\n0.237998 0.486284 0.403508 Cu\n0.486284 0.237998 0.596492 Cu\n0.013716 0.737998 0.403508 Cu\n0.762002 0.513716 0.403508 Cu\n0.737998 0.013716 0.596492 Cu\n0.986284 0.262002 0.403508 Cu\n0.513716 0.762002 0.596492 Cu\n0.262002 0.986284 0.596492 Cu\n0.218248 0.690613 0.733775 P\n0.809387 0.718248 0.733775 P\n0.718248 0.809387 0.266225 P\n0.190613 0.281752 0.733775 P\n0.781752 0.309387 0.733775 P\n0.281752 0.190613 0.266225 P\n0.690613 0.218248 0.266225 P\n0.309387 0.781752 0.266225 P\n0.000000 0.500000 0.179356 O\n0.873928 0.839269 0.263145 O\n0.895128 0.658569 0.896103 O\n0.320677 0.342997 0.242395 O\n0.842997 0.179323 0.242395 O\n0.841431 0.395128 0.896103 O\n0.679323 0.657003 0.242395 O\n0.500000 0.000000 0.820644 O\n0.657003 0.679323 0.757605 O\n0.820677 0.157003 0.757605 O\n0.658569 0.895128 0.103897 O\n0.104872 0.341431 0.896103 O\n0.342997 0.320677 0.757605 O\n0.179323 0.842997 0.757605 O\n0.626072 0.339269 0.736855 O\n0.341431 0.104872 0.103897 O\n0.126072 0.160731 0.263145 O\n0.839269 0.873928 0.736855 O\n0.863640 0.653095 0.551411 O\n0.346905 0.136360 0.448589 O\n0.339269 0.626072 0.263145 O\n0.846905 0.363640 0.551411 O\n0.653095 0.863640 0.448589 O\n0.158569 0.604872 0.896103 O\n0.160731 0.126072 0.736855 O\n0.373928 0.660731 0.736855 O\n0.157003 0.820677 0.242395 O\n0.363640 0.846905 0.448589 O\n0.395128 0.841431 0.103897 O\n0.660731 0.373928 0.263145 O\n0.636360 0.153095 0.448589 O\n0.136360 0.346905 0.551411 O\n0.604872 0.158569 0.103897 O\n0.153095 0.636360 0.551411 O\n",
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{
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"structure_string": "Li2 Cd8 Ge10 O30\n1.0\n7.195564 0.000000 0.000000\n-0.692483 8.004473 0.000000\n-0.639884 -3.570048 11.894911\nLi Cd Ge O\n2 8 10 30\ndirect\n0.341115 0.163383 0.612635 Li\n0.658885 0.836617 0.387365 Li\n0.057950 0.097402 0.150776 Cd\n0.942050 0.902598 0.849224 Cd\n0.133762 0.318457 0.443723 Cd\n0.866238 0.681543 0.556277 Cd\n0.183892 0.534619 0.733942 Cd\n0.816108 0.465381 0.266058 Cd\n0.274146 0.743414 0.018241 Cd\n0.725854 0.256586 0.981759 Cd\n0.428461 0.972857 0.825738 Ge\n0.571539 0.027143 0.174262 Ge\n0.355308 0.775036 0.554250 Ge\n0.644692 0.224964 0.445750 Ge\n0.302328 0.514298 0.229986 Ge\n0.697672 0.485702 0.770014 Ge\n0.220837 0.318366 0.958926 Ge\n0.779163 0.681634 0.041074 Ge\n0.109304 0.856817 0.353185 Ge\n0.890696 0.143183 0.646815 Ge\n0.422881 0.953738 0.678080 O\n0.577119 0.046262 0.321920 O\n0.034841 0.175215 0.976512 O\n0.965159 0.824785 0.023488 O\n0.125036 0.382890 0.269061 O\n0.874964 0.617110 0.730939 O\n0.271149 0.913666 0.475776 O\n0.728851 0.086334 0.524224 O\n0.180210 0.614975 0.563382 O\n0.819790 0.385025 0.436618 O\n0.252929 0.822278 0.847175 O\n0.747071 0.177722 0.152825 O\n0.357889 0.434995 0.087778 O\n0.642111 0.565005 0.912222 O\n0.606001 0.798360 0.121164 O\n0.393999 0.201640 0.878836 O\n0.062997 0.047274 0.322139 O\n0.937003 0.952726 0.677861 O\n0.225910 0.724436 0.238413 O\n0.774090 0.275564 0.761587 O\n0.435397 0.293573 0.504751 O\n0.564603 0.706427 0.495249 O\n0.093410 0.260082 0.620056 O\n0.906590 0.739918 0.379944 O\n0.352006 0.026415 0.108731 O\n0.647994 0.973585 0.891269 O\n0.161073 0.486481 0.904353 O\n0.838927 0.513519 0.095647 O\n0.519387 0.532479 0.308269 O\n0.480613 0.467521 0.691731 O\n",
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{
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"structure_string": "Y3 Ga9 Ru3\n1.0\n6.463522 0.000000 0.000000\n0.000000 6.463522 0.000000\n0.000000 0.000000 6.463522\nY Ga Ru\n3 9 3\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.500000 Ga\n0.208789 0.208789 0.791211 Ga\n0.208789 0.791211 0.208789 Ga\n0.791211 0.208789 0.208789 Ga\n0.791211 0.791211 0.791211 Ga\n0.791211 0.791211 0.208789 Ga\n0.791211 0.208789 0.791211 Ga\n0.208789 0.791211 0.791211 Ga\n0.208789 0.208789 0.208789 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
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{
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{
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