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{
"id": "mp-554147",
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{
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"structure_string": "Na8 Nb8 O24\n1.0\n5.566538 0.000000 0.000000\n0.000000 5.644863 0.000000\n0.000000 0.000000 15.934179\nNa Nb O\n8 8 24\ndirect\n0.240148 0.781614 0.876400 Na\n0.240148 0.718386 0.376400 Na\n0.755142 0.223966 0.628627 Na\n0.244858 0.776034 0.128627 Na\n0.755142 0.276034 0.128627 Na\n0.759852 0.218386 0.376400 Na\n0.759852 0.281614 0.876400 Na\n0.244858 0.723966 0.628627 Na\n0.251609 0.271270 0.002313 Nb\n0.258266 0.241788 0.252707 Nb\n0.748391 0.771270 0.002313 Nb\n0.258266 0.258212 0.752707 Nb\n0.741734 0.741788 0.252707 Nb\n0.251609 0.228730 0.502313 Nb\n0.748391 0.728730 0.502313 Nb\n0.741734 0.758212 0.752707 Nb\n0.183504 0.247810 0.619564 O\n0.963164 0.025765 0.976682 O\n0.681373 0.775100 0.369815 O\n0.036836 0.974235 0.476682 O\n0.541531 0.451482 0.010699 O\n0.036836 0.525765 0.976682 O\n0.183504 0.252190 0.119564 O\n0.318627 0.275100 0.369815 O\n0.541531 0.048518 0.510699 O\n0.816496 0.747810 0.619564 O\n0.031383 0.515360 0.761559 O\n0.534036 0.045812 0.227235 O\n0.963164 0.474235 0.476682 O\n0.968617 0.015360 0.761559 O\n0.681373 0.724900 0.869815 O\n0.458469 0.548518 0.510699 O\n0.458469 0.951482 0.010699 O\n0.534036 0.454188 0.727235 O\n0.318627 0.224900 0.869815 O\n0.031383 0.984640 0.261559 O\n0.465964 0.545812 0.227235 O\n0.465964 0.954188 0.727235 O\n0.968617 0.484640 0.261559 O\n0.816496 0.752190 0.119564 O\n",
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},
{
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"structure_string": "Nb12 P4\n1.0\n0.000000 0.000000 -5.104816\n-5.110982 -5.110982 -2.552408\n-5.110982 5.110982 -2.552408\nNb P\n12 4\ndirect\n0.856463 0.816343 0.983954 Nb\n0.656760 0.183657 0.016046 Nb\n0.327194 0.016046 0.816343 Nb\n0.159583 0.983954 0.183657 Nb\n0.037029 0.622711 0.338290 Nb\n0.998030 0.377289 0.661710 Nb\n0.340260 0.661710 0.622711 Nb\n0.624681 0.338290 0.377289 Nb\n0.473292 0.596819 0.968680 Nb\n0.038790 0.403181 0.031320 Nb\n0.929889 0.031320 0.596819 Nb\n0.558029 0.968680 0.403181 Nb\n0.550718 0.674137 0.260551 P\n0.485406 0.325863 0.739449 P\n0.775145 0.739449 0.674137 P\n0.188731 0.260551 0.325863 P\n",
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"spacegroup": 82
},
{
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"created_at": "2022-09-04T14:47:03.174823Z",
"structure_string": "Ca6 In2 N6\n1.0\n7.476546 -0.000863 0.000000\n-3.739023 6.478690 0.000000\n0.000000 0.000000 5.088450\nCa In N\n6 2 6\ndirect\n0.933757 0.660626 0.250000 Ca\n0.726945 0.066244 0.250000 Ca\n0.339320 0.273138 0.250000 Ca\n0.066243 0.339374 0.750000 Ca\n0.273055 0.933756 0.750000 Ca\n0.660680 0.726862 0.750000 Ca\n0.666639 0.333397 0.750000 In\n0.333361 0.666603 0.250000 In\n0.933261 0.633086 0.750000 N\n0.699774 0.066661 0.750000 N\n0.366835 0.300133 0.750000 N\n0.066739 0.366914 0.250000 N\n0.300226 0.933339 0.250000 N\n0.633165 0.699867 0.250000 N\n",
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"formula_full": "Ca6 In2 N6",
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},
{
"id": "mp-1235082",
"created_at": "2022-09-04T14:47:03.186218Z",
"structure_string": "Ba2 Li1 La1 Cu3 O7\n1.0\n4.046128 0.000000 0.000000\n0.000000 3.891639 0.000000\n0.000000 0.000000 12.885166\nBa Li La Cu O\n2 1 1 3 7\ndirect\n0.500000 0.500000 0.897377 Ba\n0.500000 0.500000 0.193285 Ba\n0.000000 0.500000 0.741734 Li\n0.500000 0.500000 0.486917 La\n0.000000 0.000000 0.622664 Cu\n0.000000 0.000000 0.350721 Cu\n0.000000 0.000000 0.041795 Cu\n0.500000 0.000000 0.593701 O\n0.000000 0.500000 0.598159 O\n0.500000 0.000000 0.349648 O\n0.000000 0.500000 0.355216 O\n0.000000 0.500000 0.046234 O\n0.500000 0.000000 0.045335 O\n0.000000 0.000000 0.805214 O\n",
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"volume": 202.89071966160088,
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"formula_full": "Ba2 Li1 La1 Cu3 O7",
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{
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"structure_string": "Zn8 Se8 O24\n1.0\n6.351544 0.000000 0.000000\n0.000000 7.516500 0.000000\n0.000000 0.000000 12.076788\nZn Se O\n8 8 24\ndirect\n0.865928 0.391098 0.594977 Zn\n0.365928 0.608902 0.905023 Zn\n0.634072 0.891098 0.405023 Zn\n0.134072 0.108902 0.094977 Zn\n0.134072 0.608902 0.405023 Zn\n0.634072 0.391098 0.094977 Zn\n0.365928 0.108902 0.594977 Zn\n0.865928 0.891098 0.905023 Zn\n0.889211 0.962314 0.642933 Se\n0.389211 0.037686 0.857067 Se\n0.610789 0.462314 0.357067 Se\n0.110789 0.537686 0.142933 Se\n0.110789 0.037686 0.357067 Se\n0.610789 0.962314 0.142933 Se\n0.389211 0.537686 0.642933 Se\n0.889211 0.462314 0.857067 Se\n0.014913 0.656328 0.906420 O\n0.514913 0.343672 0.593580 O\n0.485087 0.156328 0.093580 O\n0.985087 0.843672 0.406420 O\n0.985087 0.343672 0.093580 O\n0.485087 0.656328 0.406420 O\n0.514913 0.843672 0.906420 O\n0.014913 0.156328 0.593580 O\n0.657811 0.472832 0.934619 O\n0.157811 0.527168 0.565381 O\n0.842189 0.972832 0.065381 O\n0.342189 0.027168 0.434619 O\n0.342189 0.527168 0.065381 O\n0.842189 0.472832 0.434619 O\n0.157811 0.027168 0.934619 O\n0.657811 0.972832 0.565381 O\n0.796821 0.034251 0.769007 O\n0.296821 0.965749 0.730993 O\n0.703179 0.534251 0.230993 O\n0.203179 0.465749 0.269007 O\n0.203179 0.965749 0.230993 O\n0.703179 0.034251 0.269007 O\n0.296821 0.465749 0.769007 O\n0.796821 0.534251 0.730993 O\n",
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{
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"structure_string": "V2 Re1 Mo1\n1.0\n0.000000 3.056681 3.056681\n3.056681 0.000000 3.056681\n3.056681 3.056681 0.000000\nV Re Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Mo\n",
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{
"id": "mp-1194731",
"created_at": "2022-09-04T14:47:03.167093Z",
"structure_string": "Cs4 Ba8 Sn4 S16 Cl4\n1.0\n8.974257 0.000000 0.000000\n0.000000 10.122176 0.000000\n0.000000 0.195707 12.780237\nCs Ba Sn S Cl\n4 8 4 16 4\ndirect\n0.084577 0.521923 0.171694 Cs\n0.584577 0.478077 0.328306 Cs\n0.915423 0.478077 0.828306 Cs\n0.415423 0.521923 0.671694 Cs\n0.092636 0.979592 0.177743 Ba\n0.592636 0.020408 0.322257 Ba\n0.907364 0.020408 0.822257 Ba\n0.407364 0.979592 0.677743 Ba\n0.101370 0.251845 0.477163 Ba\n0.601370 0.748155 0.022837 Ba\n0.898630 0.748155 0.522837 Ba\n0.398630 0.251845 0.977163 Ba\n0.812459 0.242476 0.099914 Sn\n0.312459 0.757524 0.400086 Sn\n0.187541 0.757524 0.900086 Sn\n0.687541 0.242476 0.599914 Sn\n0.174670 0.561011 0.440881 S\n0.674670 0.438989 0.059119 S\n0.825330 0.438989 0.559119 S\n0.325330 0.561011 0.940881 S\n0.871343 0.217828 0.283585 S\n0.371343 0.782172 0.216415 S\n0.128657 0.782172 0.716415 S\n0.628657 0.217828 0.783585 S\n0.158370 0.945738 0.437441 S\n0.658370 0.054262 0.062559 S\n0.841630 0.054262 0.562559 S\n0.341630 0.945738 0.937441 S\n0.037469 0.216895 0.000040 S\n0.537469 0.783105 0.499960 S\n0.962531 0.783105 0.999960 S\n0.462531 0.216895 0.500040 S\n0.828404 0.784508 0.274662 Cl\n0.328404 0.215492 0.225338 Cl\n0.171596 0.215492 0.725338 Cl\n0.671596 0.784508 0.774662 Cl\n",
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{
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"structure_string": "Tl8 Ge4 Pb4 S16\n1.0\n9.242367 0.000000 0.000000\n0.000000 9.053534 0.000000\n0.000000 0.778673 10.634356\nTl Ge Pb S\n8 4 4 16\ndirect\n0.692401 0.559436 0.946723 Tl\n0.807599 0.059436 0.946723 Tl\n0.307599 0.440564 0.053277 Tl\n0.608053 0.099465 0.228778 Tl\n0.108053 0.400535 0.771222 Tl\n0.391947 0.900535 0.771222 Tl\n0.192401 0.940564 0.053277 Tl\n0.891947 0.599465 0.228778 Tl\n0.473434 0.707822 0.260855 Ge\n0.026566 0.207822 0.260855 Ge\n0.526566 0.292178 0.739145 Ge\n0.973434 0.792178 0.739145 Ge\n0.306278 0.398071 0.446169 Pb\n0.806278 0.101929 0.553831 Pb\n0.193722 0.898071 0.446169 Pb\n0.693722 0.601929 0.553831 Pb\n0.060864 0.022529 0.705677 S\n0.964919 0.322990 0.079478 S\n0.439136 0.522529 0.705677 S\n0.228468 0.683597 0.266147 S\n0.531229 0.839591 0.423857 S\n0.035081 0.677010 0.920522 S\n0.468771 0.160409 0.576143 S\n0.464919 0.177010 0.920522 S\n0.939136 0.977471 0.294323 S\n0.728468 0.816403 0.733853 S\n0.271532 0.183597 0.266147 S\n0.771532 0.316403 0.733853 S\n0.031229 0.660409 0.576143 S\n0.535081 0.822990 0.079478 S\n0.560864 0.477471 0.294323 S\n0.968771 0.339591 0.423857 S\n",
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