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{
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{
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"structure_string": "Cd2 Te1 Se1\n1.0\n7.513116 -2.270961 0.000000\n7.513116 2.270961 0.000000\n6.826681 0.000000 3.873061\nCd Te Se\n2 1 1\ndirect\n0.995048 0.995048 0.995048 Cd\n0.504965 0.504965 0.504965 Cd\n0.375817 0.375817 0.375817 Te\n0.874170 0.874170 0.874170 Se\n",
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{
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"structure_string": "Zn4 Fe16 Ni4 O32\n1.0\n5.961926 5.939325 0.000000\n-5.961926 5.939325 0.000000\n0.000000 0.003897 8.383960\nZn Fe Ni O\n4 16 4 32\ndirect\n0.999642 0.499795 0.008741 Zn\n0.003102 0.003102 0.500801 Zn\n0.496411 0.496411 0.497010 Zn\n0.499795 0.999642 0.008741 Zn\n0.750515 0.750515 0.746590 Fe\n0.248943 0.248943 0.743864 Fe\n0.751521 0.251150 0.246592 Fe\n0.251150 0.751521 0.246592 Fe\n0.872663 0.626657 0.372395 Fe\n0.628893 0.374716 0.874324 Fe\n0.871785 0.871785 0.126853 Fe\n0.627955 0.627955 0.129321 Fe\n0.126461 0.626017 0.623268 Fe\n0.626017 0.126461 0.623268 Fe\n0.373200 0.125668 0.372467 Fe\n0.874766 0.126408 0.874578 Fe\n0.374716 0.628893 0.874324 Fe\n0.126408 0.874766 0.874578 Fe\n0.626657 0.872663 0.372395 Fe\n0.125668 0.373200 0.372467 Fe\n0.374653 0.874907 0.625374 Ni\n0.126507 0.126507 0.126439 Ni\n0.874907 0.374653 0.625374 Ni\n0.372258 0.372258 0.127897 Ni\n0.617268 0.112182 0.378212 O\n0.874415 0.874415 0.891065 O\n0.121118 0.383351 0.610096 O\n0.391806 0.623360 0.120721 O\n0.356977 0.356977 0.370672 O\n0.133368 0.639463 0.867097 O\n0.641311 0.859558 0.141653 O\n0.863238 0.129282 0.640805 O\n0.112182 0.617268 0.378212 O\n0.620308 0.620308 0.888835 O\n0.113062 0.113062 0.875338 O\n0.381984 0.381984 0.877503 O\n0.886324 0.388985 0.373798 O\n0.388985 0.886324 0.373798 O\n0.623588 0.881455 0.607571 O\n0.109167 0.875290 0.114850 O\n0.623360 0.391806 0.120721 O\n0.875290 0.109167 0.114850 O\n0.383351 0.121118 0.610096 O\n0.881455 0.623588 0.607571 O\n0.861332 0.861332 0.362116 O\n0.370272 0.864466 0.870273 O\n0.864466 0.370272 0.870273 O\n0.639463 0.133368 0.867097 O\n0.140106 0.140106 0.369494 O\n0.638245 0.638245 0.361220 O\n0.130883 0.367789 0.144980 O\n0.631738 0.363717 0.634695 O\n0.129282 0.863238 0.640805 O\n0.363717 0.631738 0.634695 O\n0.859558 0.641311 0.141653 O\n0.367789 0.130883 0.144980 O\n",
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{
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"structure_string": "K3 Na1 Fe1 Cl6\n1.0\n6.904563 4.470276 0.000000\n-6.904563 4.470276 0.000000\n0.000000 0.666735 6.199256\nK Na Fe Cl\n3 1 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Fe\n0.250566 0.508959 0.328042 Cl\n0.233302 0.233302 0.752273 Cl\n0.508959 0.250566 0.328042 Cl\n0.749434 0.491041 0.671958 Cl\n0.766698 0.766698 0.247727 Cl\n0.491041 0.749434 0.671958 Cl\n",
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{
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{
"id": "mp-1093939",
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"structure_string": "Ba2 Sb1 Br1\n1.0\n-6.344486 6.664192 9.400845\n6.344486 -6.664192 9.400845\n6.344486 6.664192 -9.400845\nBa Sb Br\n2 1 1\ndirect\n0.000000 0.256175 0.256175 Ba\n0.000000 0.743825 0.743825 Ba\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Ba4 N8 O24\n1.0\n8.295269 0.000000 0.000000\n0.000000 8.295269 0.000000\n0.000000 0.000000 8.295269\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.344493 0.344493 0.344493 N\n0.344493 0.155507 0.844493 N\n0.155507 0.844493 0.344493 N\n0.844493 0.344493 0.155507 N\n0.655507 0.655507 0.655507 N\n0.155507 0.655507 0.844493 N\n0.844493 0.155507 0.655507 N\n0.655507 0.844493 0.155507 N\n0.779076 0.285070 0.030662 O\n0.214930 0.969338 0.279076 O\n0.220924 0.785070 0.469338 O\n0.279076 0.214930 0.969338 O\n0.279076 0.285070 0.469338 O\n0.469338 0.279076 0.285070 O\n0.285070 0.469338 0.279076 O\n0.214930 0.530662 0.779076 O\n0.969338 0.220924 0.714930 O\n0.714930 0.969338 0.220924 O\n0.030662 0.720924 0.785070 O\n0.530662 0.779076 0.214930 O\n0.785070 0.030662 0.720924 O\n0.779076 0.214930 0.530662 O\n0.720924 0.785070 0.030662 O\n0.220924 0.714930 0.969338 O\n0.720924 0.714930 0.530662 O\n0.530662 0.720924 0.714930 O\n0.714930 0.530662 0.720924 O\n0.785070 0.469338 0.220924 O\n0.030662 0.779076 0.285070 O\n0.285070 0.030662 0.779076 O\n0.969338 0.279076 0.214930 O\n0.469338 0.220924 0.785070 O\n",
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{
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"created_at": "2022-09-04T14:48:29.341517Z",
"structure_string": "H24 Ru4 N12 Cl12 O4\n1.0\n11.645963 0.000000 0.000000\n0.000000 6.793994 0.000000\n0.000000 5.513986 9.933941\nH Ru N Cl O\n24 4 12 12 4\ndirect\n0.595643 0.224213 0.327452 H\n0.888047 0.016182 0.357285 H\n0.743630 0.979934 0.921979 H\n0.095643 0.775787 0.172548 H\n0.611953 0.016182 0.857285 H\n0.388047 0.983818 0.142715 H\n0.540440 0.367370 0.172593 H\n0.141419 0.518580 0.277145 H\n0.904357 0.224213 0.827452 H\n0.641419 0.481420 0.222855 H\n0.040440 0.632630 0.327407 H\n0.194145 0.187147 0.637588 H\n0.959560 0.367370 0.672593 H\n0.305855 0.187147 0.137588 H\n0.858581 0.481420 0.722855 H\n0.404357 0.775787 0.672548 H\n0.756370 0.979934 0.421979 H\n0.358581 0.518580 0.777145 H\n0.111953 0.983818 0.642715 H\n0.694145 0.812853 0.862412 H\n0.459560 0.632630 0.827407 H\n0.805855 0.812853 0.362412 H\n0.256370 0.020066 0.078021 H\n0.243630 0.020066 0.578021 H\n0.240121 0.804251 0.349159 Ru\n0.740121 0.195749 0.150841 Ru\n0.759879 0.195749 0.650841 Ru\n0.259879 0.804251 0.849159 Ru\n0.155111 0.601644 0.879915 N\n0.695004 0.975343 0.847185 N\n0.844889 0.398356 0.120085 N\n0.614665 0.333476 0.228027 N\n0.885335 0.333476 0.728027 N\n0.195004 0.024657 0.652815 N\n0.655111 0.398356 0.620085 N\n0.385335 0.666524 0.771973 N\n0.304996 0.024657 0.152815 N\n0.114665 0.666524 0.271973 N\n0.344889 0.601644 0.379915 N\n0.804996 0.975343 0.347185 N\n0.154625 0.580402 0.569524 Cl\n0.654625 0.419598 0.930476 Cl\n0.845375 0.419598 0.430476 Cl\n0.603654 0.909659 0.195862 Cl\n0.866803 0.008875 0.069791 Cl\n0.366803 0.991125 0.430209 Cl\n0.633197 0.008875 0.569791 Cl\n0.133197 0.991125 0.930209 Cl\n0.345375 0.580402 0.069524 Cl\n0.103654 0.090341 0.304138 Cl\n0.896346 0.909659 0.695862 Cl\n0.396346 0.090341 0.804138 Cl\n0.581156 0.527976 0.596601 O\n0.081156 0.472024 0.903399 O\n0.418844 0.472024 0.403399 O\n0.918844 0.527976 0.096601 O\n",
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{
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]
}