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{
"id": "mp-1189516",
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"structure_string": "Na6 Sc2 Cl12\n1.0\n7.215596 0.000000 0.000000\n0.000000 6.788389 0.000000\n0.000000 6.692436 9.998230\nNa Sc Cl\n6 2 12\ndirect\n0.920637 0.715956 0.757638 Na\n0.579363 0.715956 0.257638 Na\n0.079363 0.284044 0.242362 Na\n0.420637 0.284044 0.742362 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.554593 0.898547 0.733574 Cl\n0.945407 0.898547 0.233574 Cl\n0.445407 0.101453 0.266426 Cl\n0.054593 0.101453 0.766426 Cl\n0.794812 0.238585 0.425951 Cl\n0.705188 0.238585 0.925951 Cl\n0.205188 0.761415 0.574049 Cl\n0.294812 0.761415 0.074049 Cl\n0.675596 0.636353 0.560695 Cl\n0.824404 0.636353 0.060695 Cl\n0.324404 0.363647 0.439305 Cl\n0.175596 0.363647 0.939305 Cl\n",
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{
"id": "mp-1209280",
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"structure_string": "Rb2 Ho2 Mo4 O16\n1.0\n5.234522 5.390696 0.000000\n-5.234522 5.390696 0.000000\n0.000000 5.081074 5.849616\nRb Ho Mo O\n2 2 4 16\ndirect\n0.198892 0.801108 0.750000 Rb\n0.801108 0.198892 0.250000 Rb\n0.770987 0.229013 0.750000 Ho\n0.229013 0.770987 0.250000 Ho\n0.695986 0.696656 0.762613 Mo\n0.304014 0.303344 0.237387 Mo\n0.303344 0.304014 0.737387 Mo\n0.696656 0.695986 0.262613 Mo\n0.614825 0.765526 0.561246 O\n0.385175 0.234474 0.438754 O\n0.234474 0.385175 0.938754 O\n0.765526 0.614825 0.061246 O\n0.382742 0.066961 0.876421 O\n0.617258 0.933039 0.123579 O\n0.933039 0.617258 0.623579 O\n0.066961 0.382742 0.376421 O\n0.585653 0.367092 0.969153 O\n0.414347 0.632908 0.030847 O\n0.632908 0.414347 0.530847 O\n0.367092 0.585653 0.469153 O\n0.792468 0.953310 0.692336 O\n0.207532 0.046690 0.307664 O\n0.046690 0.207532 0.807664 O\n0.953310 0.792468 0.192336 O\n",
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"formula_full": "Rb2 Ho2 Mo4 O16",
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{
"id": "mp-1226140",
"created_at": "2022-09-04T14:46:11.081875Z",
"structure_string": "Cs6 Tl2 Ni6 F20\n1.0\n3.079365 7.264322 0.000000\n-3.079365 7.264322 0.000000\n0.000000 0.064523 13.859348\nCs Tl Ni F\n6 2 6 20\ndirect\n0.952327 0.952327 0.639444 Cs\n0.047673 0.047673 0.360556 Cs\n0.547207 0.547207 0.139971 Cs\n0.452793 0.452793 0.860029 Cs\n0.755457 0.755457 0.888660 Cs\n0.244543 0.244543 0.111340 Cs\n0.749093 0.749093 0.389101 Tl\n0.250907 0.250907 0.610899 Tl\n0.619370 0.619370 0.652888 Ni\n0.380630 0.380630 0.347112 Ni\n0.881125 0.881125 0.153989 Ni\n0.118875 0.118875 0.846011 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.384938 0.816617 0.538327 F\n0.183383 0.615062 0.461673 F\n0.685970 0.115893 0.038521 F\n0.884107 0.314030 0.961479 F\n0.615062 0.183383 0.461673 F\n0.816617 0.384938 0.538327 F\n0.314030 0.884107 0.961479 F\n0.115893 0.685970 0.038521 F\n0.753689 0.753689 0.647154 F\n0.246311 0.246311 0.352846 F\n0.746709 0.746709 0.149126 F\n0.253291 0.253291 0.850874 F\n0.363633 0.866029 0.748941 F\n0.133971 0.636367 0.251059 F\n0.636367 0.133971 0.251059 F\n0.866029 0.363633 0.748941 F\n0.974016 0.974016 0.855938 F\n0.025984 0.025984 0.144062 F\n0.526387 0.526387 0.356669 F\n0.473613 0.473613 0.643331 F\n",
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"formula_full": "Cs6 Tl2 Ni6 F20",
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{
"id": "mp-1029442",
"created_at": "2022-09-04T14:46:11.090753Z",
"structure_string": "Mg4 Ta2 N6\n1.0\n2.989938 -5.096229 0.000000\n2.989938 5.096229 0.000000\n0.000000 0.000000 5.315452\nMg Ta N\n4 2 6\ndirect\n0.991691 0.330736 0.986390 Mg\n0.330736 0.991691 0.986390 Mg\n0.008309 0.669264 0.486390 Mg\n0.669264 0.008309 0.486390 Mg\n0.667043 0.667043 0.985439 Ta\n0.332957 0.332957 0.485439 Ta\n0.020374 0.331752 0.384603 N\n0.331752 0.020374 0.384603 N\n0.979626 0.668248 0.884603 N\n0.668248 0.979626 0.884603 N\n0.650408 0.650408 0.360575 N\n0.349592 0.349592 0.860575 N\n",
"nsites": 12,
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],
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"density": 5.567911616744399,
"density_atomic": 0.0740798223188672,
"volume": 161.98742956411965,
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"formula_full": "Mg4 Ta2 N6",
"formula_reduced": "Mg2TaN3",
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},
{
"id": "mp-1180648",
"created_at": "2022-09-04T14:46:11.097212Z",
"structure_string": "K1 S1\n1.0\n6.139753 5.665404 0.000000\n-6.139753 5.665404 0.000000\n0.000000 2.063230 5.667774\nK S\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 S\n",
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{
"id": "mp-1094360",
"created_at": "2022-09-04T14:46:11.119334Z",
"structure_string": "Sr5 Mg1\n1.0\n7.125444 -3.547045 0.000000\n7.125444 3.547045 0.000000\n5.359725 0.000000 5.884456\nSr Mg\n5 1\ndirect\n0.000000 0.662068 0.337932 Sr\n0.833746 0.833746 0.833746 Sr\n0.662068 0.337932 0.000000 Sr\n0.337932 0.000000 0.662068 Sr\n0.166254 0.166254 0.166254 Sr\n0.500000 0.500000 0.500000 Mg\n",
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{
"id": "mp-1101114",
"created_at": "2022-09-04T14:46:11.126301Z",
"structure_string": "Ti12 Co6 O30\n1.0\n11.248964 -0.850833 0.015135\n2.240977 4.750769 -0.011505\n0.012581 -0.008294 10.194520\nTi Co O\n12 6 30\ndirect\n0.046424 0.734743 0.935581 Ti\n0.045654 0.733643 0.551725 Ti\n0.287168 0.264211 0.067889 Ti\n0.287991 0.263394 0.436347 Ti\n0.379058 0.732470 0.928102 Ti\n0.378647 0.729573 0.568520 Ti\n0.622672 0.275818 0.435662 Ti\n0.617690 0.273183 0.069251 Ti\n0.710185 0.735847 0.937412 Ti\n0.712098 0.733720 0.557643 Ti\n0.951369 0.282920 0.074136 Ti\n0.937904 0.378660 0.747106 Ti\n0.065321 0.623044 0.248767 Co\n0.271101 0.379163 0.749881 Co\n0.392349 0.623542 0.249560 Co\n0.606236 0.373500 0.750300 Co\n0.728545 0.617975 0.249764 Co\n0.953713 0.280256 0.435024 Co\n0.111651 0.372346 0.446142 O\n0.105381 0.375039 0.053790 O\n0.067881 0.536098 0.756538 O\n0.016055 0.888906 0.392402 O\n0.011778 0.910867 0.107541 O\n0.325787 0.090837 0.612507 O\n0.324512 0.091376 0.886857 O\n0.263249 0.424900 0.247806 O\n0.227572 0.636679 0.573562 O\n0.225084 0.639058 0.931035 O\n0.435820 0.372921 0.053422 O\n0.436703 0.382355 0.442146 O\n0.408891 0.566086 0.751157 O\n0.341304 0.906488 0.110618 O\n0.345617 0.904556 0.389453 O\n0.652030 0.091591 0.610371 O\n0.655781 0.085897 0.886374 O\n0.589309 0.430368 0.246449 O\n0.564031 0.628992 0.567206 O\n0.563751 0.626764 0.937990 O\n0.763291 0.387908 0.432765 O\n0.769735 0.366941 0.060949 O\n0.751802 0.537449 0.751737 O\n0.683305 0.909711 0.387465 O\n0.676476 0.906468 0.111304 O\n0.985873 0.096926 0.880455 O\n0.985063 0.095852 0.628565 O\n0.927671 0.448141 0.238446 O\n0.894670 0.632654 0.576351 O\n0.895799 0.620162 0.935926 O\n",
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"formula_full": "Ti12 Co6 O30",
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{
"id": "mp-1233328",
"created_at": "2022-09-04T14:46:11.133142Z",
"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.165792 0.010672 -2.672561\n-0.629637 7.449629 -1.523643\n-0.019321 0.020410 10.945357\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.752135 0.064818 0.807488 K\n0.248670 0.936957 0.188847 K\n0.000564 0.499672 0.498425 Mg\n0.632553 0.323433 0.317229 Fe\n0.368201 0.680446 0.678498 Fe\n0.498333 0.502493 0.999118 Fe\n0.002450 0.000997 0.498917 Fe\n0.653298 0.746313 0.505277 P\n0.347857 0.256378 0.489570 P\n0.291534 0.090749 0.815897 P\n0.712037 0.912263 0.183039 P\n0.058339 0.574324 0.832179 P\n0.939243 0.428064 0.164607 P\n0.732746 0.572793 0.457637 O\n0.267393 0.428655 0.537736 O\n0.785734 0.913715 0.539068 O\n0.219067 0.086820 0.458676 O\n0.602435 0.071812 0.204903 O\n0.403938 0.932370 0.797548 O\n0.419132 0.261305 0.885852 O\n0.581247 0.744083 0.111966 O\n0.879913 0.889464 0.303751 O\n0.124595 0.110441 0.693553 O\n0.911220 0.411156 0.290203 O\n0.087391 0.587066 0.706265 O\n0.776182 0.438923 0.042315 O\n0.220557 0.567074 0.956015 O\n0.417183 0.261143 0.377201 O\n0.578535 0.742304 0.615158 O\n0.887469 0.242495 0.477303 F\n0.116568 0.757626 0.521570 F\n0.485703 0.424048 0.154286 F\n0.506787 0.581843 0.842860 F\n0.808397 0.949128 0.079537 F\n0.192706 0.056174 0.918703 F\n0.906783 0.416754 0.801687 F\n0.091493 0.585761 0.197484 F\n0.526789 0.239693 0.616516 F\n0.477736 0.765499 0.377216 F\n0.049776 0.267867 0.122768 F\n0.946239 0.735416 0.870634 F\n",
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{
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"created_at": "2022-09-04T14:46:11.135277Z",
"structure_string": "Co4 N2 O12\n1.0\n5.807453 0.000000 0.000000\n0.000000 5.386929 0.000000\n0.000000 0.970512 7.033987\nCo N O\n4 2 12\ndirect\n0.738663 0.998845 0.002697 Co\n0.238663 0.001155 0.997303 Co\n0.990372 0.500382 0.996215 Co\n0.490372 0.499618 0.003785 Co\n0.503134 0.774991 0.395303 N\n0.003134 0.225009 0.604697 N\n0.892287 0.400880 0.528558 O\n0.392287 0.599120 0.471442 O\n0.990922 0.868761 0.129931 O\n0.490922 0.131239 0.870069 O\n0.617947 0.929656 0.460927 O\n0.117947 0.070344 0.539073 O\n0.736947 0.698556 0.892223 O\n0.236947 0.301444 0.107777 O\n0.744022 0.303580 0.106838 O\n0.244022 0.696420 0.893162 O\n0.496706 0.801461 0.187591 O\n0.996706 0.198539 0.812409 O\n",
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{
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"structure_string": "Gd1 Tl1 Se2\n1.0\n7.874890 -2.121536 0.000000\n7.874890 2.121536 0.000000\n7.303337 0.000000 3.629886\nGd Tl Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Tl\n0.764865 0.764865 0.764865 Se\n0.235135 0.235135 0.235135 Se\n",
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}