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{
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{
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"formula_full": "Li4 Al2 B10 H76 N12",
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{
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"created_at": "2022-09-04T14:46:13.984120Z",
"structure_string": "Al14 Te20\n1.0\n7.427328 -7.408419 0.000000\n7.427328 7.408419 0.000000\n0.037770 0.000000 10.490398\nAl Te\n14 20\ndirect\n0.845891 0.889686 0.579082 Al\n0.579082 0.845891 0.889686 Al\n0.889686 0.579082 0.845891 Al\n0.154109 0.420918 0.110314 Al\n0.110314 0.154109 0.420918 Al\n0.420918 0.110314 0.154109 Al\n0.741844 0.163242 0.346816 Al\n0.346816 0.741844 0.163242 Al\n0.163242 0.346816 0.741844 Al\n0.258156 0.653184 0.836758 Al\n0.836758 0.258156 0.653184 Al\n0.653184 0.836758 0.258156 Al\n0.571842 0.571842 0.571842 Al\n0.428158 0.428158 0.428158 Al\n0.422064 0.922954 0.328825 Te\n0.922954 0.328825 0.422064 Te\n0.328825 0.422064 0.922954 Te\n0.077046 0.577936 0.671175 Te\n0.577936 0.671175 0.077046 Te\n0.671175 0.077046 0.577936 Te\n0.758188 0.692204 0.440302 Te\n0.440302 0.758188 0.692204 Te\n0.692204 0.440302 0.758188 Te\n0.241812 0.559698 0.307796 Te\n0.307796 0.241812 0.559698 Te\n0.559698 0.307796 0.241812 Te\n0.500000 0.079350 0.920650 Te\n0.920650 0.500000 0.079350 Te\n0.079350 0.920650 0.500000 Te\n0.000000 0.180732 0.819268 Te\n0.819268 0.000000 0.180732 Te\n0.180732 0.819268 0.000000 Te\n0.830413 0.830413 0.830413 Te\n0.169587 0.169587 0.169587 Te\n",
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{
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"created_at": "2022-09-04T14:46:14.015486Z",
"structure_string": "Ba3 Sr2 Ca4 Mg3 Si6 O24\n1.0\n2.758728 -4.778256 0.000000\n2.758728 4.778256 0.000000\n0.000000 0.000000 20.860680\nBa Sr Ca Mg Si O\n3 2 4 3 6 24\ndirect\n0.333333 0.666667 0.165085 Ba\n0.333333 0.666667 0.500356 Ba\n0.333333 0.666667 0.834558 Ba\n0.666667 0.333333 0.279033 Sr\n0.666667 0.333333 0.615070 Sr\n0.666667 0.333333 0.945673 Ca\n0.000000 0.000000 0.054280 Ca\n0.000000 0.000000 0.389247 Ca\n0.000000 0.000000 0.723561 Ca\n0.333333 0.666667 0.998574 Mg\n0.333333 0.666667 0.333146 Mg\n0.333333 0.666667 0.668285 Mg\n0.666667 0.333333 0.087740 Si\n0.666667 0.333333 0.424060 Si\n0.666667 0.333333 0.760179 Si\n0.000000 0.000000 0.241667 Si\n0.000000 0.000000 0.576444 Si\n0.000000 0.000000 0.909185 Si\n0.666667 0.333333 0.165094 O\n0.666667 0.333333 0.501398 O\n0.666667 0.333333 0.837507 O\n0.000000 0.000000 0.163723 O\n0.000000 0.000000 0.498472 O\n0.000000 0.000000 0.831159 O\n0.977885 0.553399 0.056328 O\n0.979130 0.548484 0.392460 O\n0.979074 0.546769 0.728008 O\n0.446601 0.424487 0.056328 O\n0.451516 0.430646 0.392460 O\n0.453231 0.432305 0.728008 O\n0.575513 0.022115 0.056328 O\n0.569354 0.020870 0.392460 O\n0.567695 0.020926 0.728008 O\n0.683180 0.817909 0.273288 O\n0.683347 0.819018 0.608321 O\n0.688572 0.781244 0.940431 O\n0.182091 0.865272 0.273288 O\n0.180982 0.864329 0.608321 O\n0.218756 0.907328 0.940431 O\n0.134728 0.316820 0.273288 O\n0.135671 0.316653 0.608321 O\n0.092672 0.311428 0.940431 O\n",
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{
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{
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}