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{
"id": "mp-10274",
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"structure_string": "Er3 Ga1 C1\n1.0\n5.253141 0.000000 0.000000\n0.000000 5.253141 0.000000\n0.000000 0.000000 5.253141\nEr Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
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{
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{
"id": "mp-582657",
"created_at": "2022-09-04T14:39:07.480487Z",
"structure_string": "Ti8 Te18 I8 O2\n1.0\n3.164953 11.531509 0.000000\n-3.164953 11.531509 0.000000\n0.000000 10.986938 16.834840\nTi Te I O\n8 18 8 2\ndirect\n0.004378 0.124067 0.139471 Ti\n0.595530 0.257441 0.234168 Ti\n0.124067 0.004378 0.639471 Ti\n0.404470 0.742559 0.765832 Ti\n0.257441 0.595530 0.734168 Ti\n0.875933 0.995622 0.360529 Ti\n0.742559 0.404470 0.265832 Ti\n0.995622 0.875933 0.860529 Ti\n0.695243 0.304757 0.750000 Te\n0.405634 0.653089 0.569820 Te\n0.816354 0.846240 0.327898 Te\n0.461045 0.212395 0.401188 Te\n0.067186 0.035376 0.874909 Te\n0.183646 0.153760 0.672102 Te\n0.594366 0.346911 0.430180 Te\n0.846240 0.816354 0.827898 Te\n0.153760 0.183646 0.172102 Te\n0.304757 0.695243 0.250000 Te\n0.964624 0.932814 0.625091 Te\n0.212395 0.461045 0.901188 Te\n0.653089 0.405634 0.069820 Te\n0.932814 0.964624 0.125091 Te\n0.787605 0.538955 0.098812 Te\n0.538955 0.787605 0.598812 Te\n0.035376 0.067186 0.374909 Te\n0.346911 0.594366 0.930180 Te\n0.734147 0.591486 0.784806 I\n0.265853 0.408513 0.215194 I\n0.408514 0.265853 0.715194 I\n0.591487 0.734147 0.284806 I\n0.966335 0.319116 0.503186 I\n0.033665 0.680884 0.496814 I\n0.680884 0.033665 0.996814 I\n0.319116 0.966335 0.003186 I\n0.804186 0.195814 0.250000 O\n0.195814 0.804186 0.750000 O\n",
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"volume": 1228.8316714783914,
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"formula_full": "Ti8 Te18 I8 O2",
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"spacegroup": 15
},
{
"id": "mp-776390",
"created_at": "2022-09-04T14:39:07.480866Z",
"structure_string": "Li4 Nb2 V3 Ni3 O16\n1.0\n5.942105 -0.015847 -0.018811\n-2.984807 5.166322 -0.003327\n-0.031542 -0.024675 9.710340\nLi Nb V Ni O\n4 2 3 3 16\ndirect\n0.323226 0.661420 0.898409 Li\n0.004320 0.000287 0.987917 Li\n0.006361 0.002233 0.494554 Li\n0.664597 0.334163 0.403727 Li\n0.330654 0.664048 0.501528 Nb\n0.695818 0.348152 0.987402 Nb\n0.188345 0.843015 0.220293 V\n0.185863 0.346911 0.218790 V\n0.349868 0.174003 0.726362 V\n0.663669 0.831909 0.207583 Ni\n0.825349 0.659337 0.711731 Ni\n0.825139 0.165523 0.711731 Ni\n0.173896 0.832913 0.591630 O\n0.038833 0.520199 0.335342 O\n0.305266 0.652968 0.104985 O\n0.011193 0.006726 0.304991 O\n0.019544 0.009630 0.799090 O\n0.173371 0.339670 0.591860 O\n0.465884 0.964137 0.337757 O\n0.464236 0.502312 0.337997 O\n0.330347 0.164959 0.102932 O\n0.666114 0.832551 0.583801 O\n0.503424 0.468728 0.850256 O\n0.503300 0.033578 0.849820 O\n0.631566 0.315825 0.608250 O\n0.845193 0.669753 0.096015 O\n0.957647 0.478885 0.847681 O\n0.846977 0.176466 0.095406 O\n",
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"density": 4.454811803607634,
"density_atomic": 0.09407596468050339,
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"volume_molar": 6.401359561341865,
"formula_full": "Li4 Nb2 V3 Ni3 O16",
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"updated_at": "2021-11-28T01:34:44.298000Z",
"spacegroup": 8
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{
"id": "mp-1017377",
"created_at": "2022-09-04T14:39:07.486883Z",
"structure_string": "Mg6 Si1 B1\n1.0\n3.891670 -4.938007 0.000000\n3.891670 4.938007 0.000000\n0.000000 0.000000 3.975708\nMg Si B\n6 1 1\ndirect\n0.813606 0.555797 0.000000 Mg\n0.444203 0.186394 0.000000 Mg\n0.371365 0.628635 0.000000 Mg\n0.663645 0.897773 0.500000 Mg\n0.102227 0.336355 0.500000 Mg\n0.140363 0.859637 0.500000 Mg\n0.946496 0.053504 0.000000 Si\n0.518093 0.481907 0.500000 B\n",
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],
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"density": 2.007456374725569,
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"formula_full": "Mg6 Si1 B1",
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"updated_at": "2021-11-28T01:34:44.640000Z",
"spacegroup": 38
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{
"id": "mp-1223158",
"created_at": "2022-09-04T14:39:07.490789Z",
"structure_string": "Na1 Eu1 Ti8 P12 O48\n1.0\n-4.266330 -7.383542 0.002379\n8.532226 -4.924561 7.335854\n-4.268248 2.459895 7.337231\nNa Eu Ti P O\n1 1 8 12 48\ndirect\n0.999678 0.999782 0.000106 Na\n0.500174 0.500038 0.499979 Eu\n0.000602 0.361413 0.724310 Ti\n0.499618 0.862843 0.225172 Ti\n0.999511 0.638489 0.275759 Ti\n0.500346 0.137198 0.774925 Ti\n0.499214 0.349147 0.199673 Ti\n0.000786 0.855791 0.709733 Ti\n0.500721 0.650884 0.800319 Ti\n0.999281 0.144206 0.289974 Ti\n0.214057 0.243475 0.996763 P\n0.716890 0.744368 0.498638 P\n0.638608 0.391087 0.848916 P\n0.136087 0.891351 0.352156 P\n0.146626 0.607155 0.635557 P\n0.648097 0.105927 0.133857 P\n0.785867 0.756591 0.003352 P\n0.283002 0.255687 0.501386 P\n0.361628 0.608949 0.151149 P\n0.863841 0.108658 0.647545 P\n0.853394 0.392741 0.364425 P\n0.351836 0.894090 0.866252 P\n0.953974 0.484699 0.289271 O\n0.454946 0.984290 0.790022 O\n0.862899 0.666996 0.106989 O\n0.362407 0.167634 0.605282 O\n0.182296 0.621144 0.151222 O\n0.683303 0.122359 0.652174 O\n0.046089 0.515281 0.710810 O\n0.545172 0.015709 0.210105 O\n0.137137 0.333002 0.893124 O\n0.637591 0.832426 0.394863 O\n0.817869 0.378898 0.848830 O\n0.316486 0.877682 0.347875 O\n0.913133 0.822757 0.917205 O\n0.415041 0.324134 0.418199 O\n0.406069 0.501575 0.241790 O\n0.908098 0.002199 0.736906 O\n0.677440 0.417370 0.325330 O\n0.179082 0.914942 0.825702 O\n0.086910 0.177292 0.082852 O\n0.584885 0.675919 0.581886 O\n0.594056 0.498416 0.758255 O\n0.091717 0.997746 0.262847 O\n0.322609 0.582657 0.674599 O\n0.820891 0.085131 0.174086 O\n0.314207 0.303959 0.114014 O\n0.815611 0.800284 0.617471 O\n0.586836 0.401079 0.015563 O\n0.086995 0.900026 0.519520 O\n0.100773 0.715610 0.702545 O\n0.596803 0.214972 0.202288 O\n0.685713 0.696069 0.886063 O\n0.184337 0.199671 0.382683 O\n0.413290 0.598929 0.984485 O\n0.912757 0.099974 0.480204 O\n0.899309 0.284389 0.297240 O\n0.403151 0.785039 0.797832 O\n0.630045 0.115043 0.961399 O\n0.135631 0.610998 0.461906 O\n0.318274 0.167026 0.909161 O\n0.813228 0.662474 0.410968 O\n0.551901 0.299045 0.773614 O\n0.051500 0.795205 0.282688 O\n0.369860 0.884977 0.038557 O\n0.864339 0.388835 0.538064 O\n0.681863 0.833120 0.090866 O\n0.186742 0.337559 0.589075 O\n0.448324 0.700912 0.226419 O\n0.948550 0.204677 0.717209 O\n",
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"formula_full": "Na1 Eu1 Ti8 P12 O48",
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{
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"structure_string": "Zr2 Ti4 O2\n1.0\n2.325813 -4.028427 0.000000\n2.325813 4.028427 0.000000\n0.000000 0.000000 6.714529\nZr Ti O\n2 4 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.716335 Ti\n0.333333 0.666667 0.283665 Ti\n0.333333 0.666667 0.716335 Ti\n0.666667 0.333333 0.283665 Ti\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Sm8 I12 O2\n1.0\n4.943030 -8.561579 0.000000\n4.943030 8.561579 0.000000\n0.000000 0.000000 8.474979\nSm I O\n8 12 2\ndirect\n0.201754 0.798246 0.068938 Sm\n0.798246 0.596491 0.568938 Sm\n0.596491 0.798246 0.068938 Sm\n0.666667 0.333333 0.260955 Sm\n0.403509 0.201754 0.568938 Sm\n0.333333 0.666667 0.760955 Sm\n0.798246 0.201754 0.568938 Sm\n0.201754 0.403509 0.068938 Sm\n0.472743 0.945486 0.386281 I\n0.134936 0.865064 0.698560 I\n0.134936 0.269872 0.698560 I\n0.865064 0.134936 0.198560 I\n0.054514 0.527257 0.386281 I\n0.269872 0.134936 0.198560 I\n0.865064 0.730128 0.198560 I\n0.945486 0.472743 0.886281 I\n0.527257 0.054514 0.886281 I\n0.527257 0.472743 0.886281 I\n0.472743 0.527257 0.386281 I\n0.730128 0.865064 0.698560 I\n0.666667 0.333333 0.545619 O\n0.333333 0.666667 0.045619 O\n",
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{
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"structure_string": "Li2 Mg1 Hg1\n1.0\n0.000000 3.364531 3.364531\n3.364531 0.000000 3.364531\n3.364531 3.364531 0.000000\nLi Mg Hg\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Hg\n",
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{
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}