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{
"id": "mp-1078695",
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{
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{
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"structure_string": "Ba1 La1 Mn1 In1 O6\n1.0\n-0.000000 -4.225732 -4.225732\n4.225732 -0.000000 -4.225732\n4.225732 -4.225732 0.000000\nBa La Mn In O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 -0.000000 -0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 In\n0.725561 0.274439 0.274439 O\n0.274439 0.725561 0.725561 O\n0.725561 0.274439 0.725561 O\n0.274439 0.725561 0.274439 O\n0.725561 0.725561 0.274439 O\n0.274439 0.274439 0.725561 O\n",
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{
"id": "mp-772874",
"created_at": "2022-09-04T14:41:30.222191Z",
"structure_string": "Ca6 Bi12 O30\n1.0\n5.798394 6.494663 0.000000\n-5.798394 6.494663 0.000000\n0.000000 0.011317 11.349713\nCa Bi O\n6 12 30\ndirect\n0.027445 0.303881 0.428685 Ca\n0.303881 0.027445 0.928685 Ca\n0.323556 0.676444 0.750000 Ca\n0.676444 0.323556 0.250000 Ca\n0.696119 0.972555 0.071315 Ca\n0.972555 0.696119 0.571315 Ca\n0.025343 0.298546 0.068147 Bi\n0.013917 0.650581 0.252028 Bi\n0.298546 0.025343 0.568147 Bi\n0.355414 0.638771 0.442924 Bi\n0.361229 0.644586 0.057076 Bi\n0.349419 0.986083 0.247972 Bi\n0.650581 0.013917 0.752028 Bi\n0.638771 0.355414 0.942924 Bi\n0.644586 0.361229 0.557076 Bi\n0.701454 0.974657 0.431853 Bi\n0.986083 0.349419 0.747972 Bi\n0.974657 0.701454 0.931853 Bi\n0.135183 0.541107 0.087886 O\n0.134850 0.539815 0.408905 O\n0.102927 0.216565 0.884169 O\n0.078351 0.567757 0.752061 O\n0.216565 0.102927 0.384169 O\n0.209247 0.793819 0.573729 O\n0.115818 0.217618 0.618717 O\n0.245936 0.754064 0.250000 O\n0.206181 0.790753 0.926271 O\n0.217618 0.115818 0.118717 O\n0.432243 0.921649 0.747939 O\n0.451057 0.533733 0.606358 O\n0.458893 0.864817 0.412114 O\n0.539815 0.134850 0.908905 O\n0.466267 0.548943 0.893642 O\n0.533733 0.451057 0.106358 O\n0.460185 0.865150 0.091095 O\n0.541107 0.135183 0.587886 O\n0.548943 0.466267 0.393642 O\n0.567757 0.078351 0.252061 O\n0.782382 0.884182 0.881283 O\n0.793819 0.209247 0.073729 O\n0.754064 0.245936 0.750000 O\n0.884182 0.782382 0.381283 O\n0.790753 0.206181 0.426271 O\n0.783435 0.897073 0.615831 O\n0.921649 0.432243 0.247939 O\n0.897073 0.783435 0.115831 O\n0.865150 0.460185 0.591095 O\n0.864817 0.458893 0.912114 O\n",
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"elements": [
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"volume": 854.8289438017459,
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"spacegroup": 15
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{
"id": "mp-865893",
"created_at": "2022-09-04T14:41:30.258385Z",
"structure_string": "Li1 Zr2 Tc1\n1.0\n0.000000 3.313800 3.313800\n3.313800 0.000000 3.313800\n3.313800 3.313800 0.000000\nLi Zr Tc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Tc\n",
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"density": 6.557078186116855,
"density_atomic": 0.054960555657686636,
"volume": 72.779467968144,
"volume_molar": 10.957205013551858,
"formula_full": "Li1 Zr2 Tc1",
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{
"id": "mp-1216625",
"created_at": "2022-09-04T14:41:30.270604Z",
"structure_string": "Ti1 O1 F2\n1.0\n3.947214 0.000000 0.000000\n0.000000 3.947214 0.000000\n0.000000 0.000000 3.698384\nTi O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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"density_atomic": 0.06941712849912239,
"volume": 57.62266585329253,
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{
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"created_at": "2022-09-04T14:41:30.276708Z",
"structure_string": "Tl8 Ga8 Se16\n1.0\n5.482417 5.483169 0.000000\n-5.482417 5.483169 0.000000\n0.000000 2.787110 15.651336\nTl Ga Se\n8 8 16\ndirect\n0.305031 0.179362 0.760568 Tl\n0.676092 0.296345 0.270519 Tl\n0.749321 0.869324 0.993758 Tl\n0.372362 0.747084 0.486549 Tl\n0.179362 0.305031 0.260568 Tl\n0.296345 0.676092 0.770519 Tl\n0.747084 0.372362 0.986549 Tl\n0.869324 0.749321 0.493758 Tl\n0.444177 0.816595 0.213506 Ga\n0.817257 0.944159 0.713912 Ga\n0.616936 0.236589 0.538883 Ga\n0.108486 0.237194 0.537704 Ga\n0.237194 0.108486 0.037704 Ga\n0.236589 0.616936 0.038883 Ga\n0.816595 0.444177 0.713506 Ga\n0.944159 0.817257 0.213912 Ga\n0.259553 0.886257 0.941350 Se\n0.791558 0.170664 0.807981 Se\n0.800768 0.669518 0.808917 Se\n0.098372 0.953401 0.624555 Se\n0.580270 0.478042 0.624820 Se\n0.579716 0.952672 0.625957 Se\n0.265555 0.387087 0.945922 Se\n0.669518 0.800768 0.308917 Se\n0.477423 0.098032 0.124199 Se\n0.098032 0.477423 0.624199 Se\n0.387087 0.265555 0.445922 Se\n0.478042 0.580270 0.124820 Se\n0.953401 0.098372 0.124555 Se\n0.170664 0.791558 0.307981 Se\n0.886257 0.259553 0.441350 Se\n0.952672 0.579716 0.125957 Se\n",
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"volume": 940.9902158481112,
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"formula_full": "Tl8 Ga8 Se16",
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{
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"structure_string": "Gd4 Nb2 Ga2 O14\n1.0\n-3.619446 3.719992 5.202894\n3.619446 -3.719992 5.202894\n3.619446 3.719992 -5.202894\nGd Nb Ga O\n4 2 2 14\ndirect\n0.500000 0.500000 0.500000 Gd\n0.500000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.375520 0.625520 0.750000 O\n0.624480 0.374480 0.250000 O\n0.330198 0.080198 0.250000 O\n0.917282 0.667282 0.250000 O\n0.332057 0.670353 0.252874 O\n0.917479 0.079183 0.247126 O\n0.332057 0.079183 0.661704 O\n0.917479 0.670353 0.838296 O\n0.669802 0.919802 0.750000 O\n0.082718 0.332718 0.750000 O\n0.667943 0.329647 0.747126 O\n0.082521 0.920817 0.752874 O\n0.667943 0.920817 0.338296 O\n0.082521 0.329647 0.161704 O\n",
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{
"id": "mp-1218775",
"created_at": "2022-09-04T14:41:30.578487Z",
"structure_string": "Sr8 Mn4 Ga4 O20\n1.0\n0.000054 -5.535582 -5.478464\n-8.216858 2.790569 -2.763812\n0.000002 5.581068 -5.527707\nSr Mn Ga O\n8 4 4 20\ndirect\n0.748837 0.777327 0.375785 Sr\n0.248852 0.777342 0.875887 Sr\n0.751149 0.222677 0.124220 Sr\n0.251132 0.222665 0.624119 Sr\n0.751147 0.777325 0.846878 Sr\n0.251168 0.777317 0.346773 Sr\n0.748870 0.222673 0.653116 Sr\n0.248861 0.222675 0.153222 Sr\n0.999978 0.999858 0.500123 Mn\n0.500019 0.999904 0.500057 Mn\n0.500016 0.000160 0.999953 Mn\n0.999998 0.000095 0.999963 Mn\n0.568380 0.499976 0.252868 Ga\n0.068402 0.499975 0.752866 Ga\n0.931627 0.500023 0.247109 Ga\n0.431601 0.500023 0.747108 Ga\n0.749988 0.986258 0.006873 O\n0.249986 0.986209 0.506890 O\n0.749981 0.013739 0.493104 O\n0.249987 0.013789 0.993089 O\n0.999990 0.004095 0.747975 O\n0.499993 0.004106 0.247987 O\n0.500013 0.995902 0.752102 O\n0.000014 0.995891 0.252091 O\n0.756197 0.500002 0.419970 O\n0.256194 0.500002 0.919956 O\n0.743805 0.499999 0.079999 O\n0.243807 0.499995 0.580014 O\n0.475450 0.707605 0.153313 O\n0.975454 0.707628 0.653293 O\n0.024552 0.292397 0.346657 O\n0.524550 0.292373 0.846677 O\n0.024542 0.707658 0.138998 O\n0.524545 0.707673 0.638987 O\n0.475460 0.292339 0.360985 O\n0.975455 0.292325 0.860994 O\n",
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"volume": 502.6643401979891,
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"formula_full": "Sr8 Mn4 Ga4 O20",
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{
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},
{
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{
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]
}