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{
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{
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{
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{
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"structure_string": "Sm1 Mo6 S8\n1.0\n4.647625 -4.565920 0.000000\n4.647625 4.565920 0.000000\n0.161972 0.000000 6.513203\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.561846 0.224093 0.419945 Mo\n0.224093 0.419945 0.561846 Mo\n0.580055 0.438154 0.775907 Mo\n0.419945 0.561846 0.224093 Mo\n0.775907 0.580055 0.438154 Mo\n0.438154 0.775907 0.580055 Mo\n0.372337 0.127222 0.752258 S\n0.241188 0.241188 0.241188 S\n0.872778 0.247742 0.627663 S\n0.752258 0.372337 0.127222 S\n0.247742 0.627663 0.872778 S\n0.127222 0.752258 0.372337 S\n0.758812 0.758812 0.758812 S\n0.627663 0.872778 0.247742 S\n",
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{
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"structure_string": "Li12 Tm4 N24 O72\n1.0\n7.592689 0.000000 0.000000\n0.000000 7.847460 0.000000\n0.000000 7.311987 24.136045\nLi Tm N O\n12 4 24 72\ndirect\n0.184189 0.927570 0.365912 Li\n0.815811 0.072430 0.634088 Li\n0.684189 0.072430 0.134088 Li\n0.315811 0.927570 0.865912 Li\n0.442226 0.744830 0.254643 Li\n0.557774 0.255170 0.745357 Li\n0.942226 0.255170 0.245357 Li\n0.057774 0.744830 0.754643 Li\n0.710049 0.783354 0.474080 Li\n0.289951 0.216646 0.525920 Li\n0.210049 0.216646 0.025920 Li\n0.789951 0.783354 0.974080 Li\n0.694066 0.366936 0.390328 Tm\n0.305934 0.633064 0.609672 Tm\n0.194066 0.633064 0.109672 Tm\n0.805934 0.366936 0.890328 Tm\n0.201743 0.999836 0.264757 N\n0.798257 0.000164 0.735243 N\n0.701743 0.000164 0.235243 N\n0.298257 0.999836 0.764757 N\n0.698034 0.468686 0.270453 N\n0.301966 0.531314 0.729547 N\n0.198034 0.531314 0.229547 N\n0.801966 0.468686 0.770453 N\n0.506304 0.800129 0.054270 N\n0.493696 0.199871 0.945730 N\n0.006304 0.199871 0.445730 N\n0.993696 0.800129 0.554270 N\n0.872284 0.535555 0.064135 N\n0.127716 0.464445 0.935865 N\n0.372284 0.464445 0.435865 N\n0.627716 0.535555 0.564135 N\n0.885176 0.680259 0.393434 N\n0.114824 0.319741 0.606566 N\n0.385176 0.319741 0.106566 N\n0.614824 0.680259 0.893434 N\n0.993237 0.955378 0.097481 N\n0.006763 0.044622 0.902519 N\n0.493237 0.044622 0.402519 N\n0.506763 0.955378 0.597481 N\n0.602957 0.547679 0.298696 O\n0.397043 0.452321 0.701304 O\n0.102957 0.452321 0.201304 O\n0.897043 0.547679 0.798696 O\n0.475141 0.804422 0.103478 O\n0.524859 0.195578 0.896522 O\n0.975141 0.195578 0.396522 O\n0.024859 0.804422 0.603478 O\n0.391785 0.721345 0.032217 O\n0.608215 0.278655 0.967783 O\n0.891785 0.278655 0.467783 O\n0.108215 0.721345 0.532217 O\n0.699742 0.511293 0.219825 O\n0.300258 0.488707 0.780175 O\n0.199742 0.488707 0.280175 O\n0.800258 0.511293 0.719825 O\n0.736481 0.500638 0.042416 O\n0.263519 0.499362 0.957584 O\n0.236481 0.499362 0.457584 O\n0.763519 0.500638 0.542416 O\n0.951402 0.809329 0.132732 O\n0.048598 0.190671 0.867268 O\n0.451402 0.190671 0.367268 O\n0.548598 0.809329 0.632732 O\n0.641698 0.869203 0.028963 O\n0.358302 0.130797 0.971037 O\n0.141698 0.130797 0.471037 O\n0.858302 0.869203 0.528963 O\n0.703619 0.958790 0.286586 O\n0.296381 0.041210 0.713414 O\n0.203619 0.041210 0.213414 O\n0.796381 0.958790 0.786586 O\n0.361688 0.955956 0.570759 O\n0.638312 0.044044 0.429241 O\n0.861688 0.044044 0.929241 O\n0.138312 0.955956 0.070759 O\n0.966695 0.808506 0.400857 O\n0.033305 0.191494 0.599143 O\n0.466695 0.191494 0.099143 O\n0.533305 0.808506 0.900857 O\n0.979160 0.660768 0.035660 O\n0.020840 0.339232 0.964340 O\n0.479160 0.339232 0.464340 O\n0.520840 0.660768 0.535660 O\n0.917896 0.459370 0.113373 O\n0.082104 0.540630 0.886627 O\n0.417896 0.540630 0.386627 O\n0.582104 0.459370 0.613373 O\n0.791913 0.338846 0.300644 O\n0.208087 0.661154 0.699356 O\n0.291913 0.661154 0.199356 O\n0.708087 0.338846 0.800644 O\n0.401858 0.907721 0.411937 O\n0.598142 0.092279 0.588063 O\n0.901858 0.092279 0.088063 O\n0.098142 0.907721 0.911937 O\n0.936155 0.589294 0.362303 O\n0.063845 0.410706 0.637697 O\n0.436155 0.410706 0.137697 O\n0.563845 0.589294 0.862303 O\n0.737940 0.632579 0.419260 O\n0.262060 0.367421 0.580740 O\n0.237940 0.367421 0.080740 O\n0.762060 0.632579 0.919260 O\n0.608582 0.914719 0.208849 O\n0.391418 0.085281 0.791151 O\n0.108582 0.085281 0.291151 O\n0.891418 0.914719 0.708849 O\n0.291644 0.869696 0.295159 O\n0.708356 0.130304 0.704841 O\n0.791644 0.130304 0.204841 O\n0.208356 0.869696 0.795159 O\n",
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{
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{
"id": "mp-1245803",
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"structure_string": "Ba2 Na2 N2\n1.0\n4.054435 0.000000 0.000000\n-2.027217 3.511246 0.000000\n0.000000 0.000000 11.282045\nBa Na N\n2 2 2\ndirect\n0.000000 0.000001 0.511045 Ba\n0.000000 0.999999 0.011045 Ba\n0.666668 0.333335 0.716182 Na\n0.333332 0.666665 0.216182 Na\n0.333334 0.666667 0.617412 N\n0.666666 0.333333 0.117412 N\n",
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"formula_full": "Ba2 Na2 N2",
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"updated_at": "2021-11-28T01:34:33.549000Z",
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}
]
}