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{
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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:40:58.594395Z",
"structure_string": "Mg6 Si8\n1.0\n5.957500 -0.031864 -0.967051\n-3.935516 6.196862 -2.874572\n0.225712 -0.358349 6.870349\nMg Si\n6 8\ndirect\n0.795643 0.523219 0.541572 Mg\n0.179672 0.608414 0.930508 Mg\n0.728883 0.060932 0.277163 Mg\n0.812396 0.971798 0.785181 Mg\n0.418954 0.419728 0.118530 Mg\n0.231231 0.063628 0.228707 Mg\n0.942642 0.793276 0.377376 Si\n0.347982 0.791128 0.404471 Si\n0.172508 0.211932 0.646236 Si\n0.618077 0.279908 0.752500 Si\n0.704740 0.678090 0.952951 Si\n0.936178 0.390692 0.153760 Si\n0.292008 0.503449 0.530314 Si\n0.319057 0.950448 0.800963 Si\n",
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{
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"structure_string": "Na4 V4 Ge8 O24\n1.0\n5.457968 0.004258 1.199474\n1.306159 6.593083 0.867690\n-5.448518 -0.059922 12.389435\nNa V Ge O\n4 4 8 24\ndirect\n0.847888 0.804588 0.097280 Na\n0.349788 0.805634 0.597020 Na\n0.652990 0.194776 0.402446 Na\n0.150559 0.194345 0.903198 Na\n0.955456 0.595304 0.702990 V\n0.046882 0.405905 0.296946 V\n0.453458 0.593637 0.203139 V\n0.544667 0.407167 0.796206 V\n0.790689 0.306642 0.059343 Ge\n0.287306 0.306563 0.558175 Ge\n0.385668 0.116809 0.154308 Ge\n0.882327 0.118306 0.653464 Ge\n0.709170 0.692980 0.440828 Ge\n0.213452 0.692585 0.941731 Ge\n0.114472 0.882644 0.345874 Ge\n0.616869 0.882791 0.846552 Ge\n0.127018 0.689804 0.260949 O\n0.627460 0.690399 0.761273 O\n0.710123 0.522022 0.345061 O\n0.212826 0.523783 0.844473 O\n0.373042 0.309918 0.239158 O\n0.870447 0.311679 0.738361 O\n0.789818 0.477396 0.155328 O\n0.289041 0.476099 0.654858 O\n0.931235 0.845518 0.437149 O\n0.433281 0.846882 0.937924 O\n0.569630 0.153396 0.063342 O\n0.066443 0.153541 0.562320 O\n0.415574 0.876160 0.422158 O\n0.918777 0.875300 0.922355 O\n0.084554 0.123667 0.077886 O\n0.581711 0.123783 0.577201 O\n0.249848 0.407369 0.434225 O\n0.746669 0.407060 0.935338 O\n0.521637 0.867819 0.204740 O\n0.021339 0.869236 0.703872 O\n0.978296 0.131577 0.295606 O\n0.479120 0.131959 0.796256 O\n0.250613 0.590913 0.065559 O\n0.749855 0.594045 0.565110 O\n",
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{
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{
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"structure_string": "Li3 Ce1 Ga8\n1.0\n-2.172791 -3.763384 0.000000\n-4.343359 -0.001283 0.000000\n0.000000 0.000000 -13.839683\nLi Ce Ga\n3 1 8\ndirect\n0.999959 0.000000 0.257636 Li\n0.999961 0.000000 0.500000 Li\n0.999959 0.000000 0.742364 Li\n0.999968 0.000000 0.000000 Ce\n0.667535 0.664866 0.143348 Ga\n0.666437 0.667067 0.373763 Ga\n0.666437 0.667067 0.626237 Ga\n0.667535 0.664866 0.856652 Ga\n0.332401 0.335134 0.143348 Ga\n0.333504 0.332933 0.373763 Ga\n0.333504 0.332933 0.626237 Ga\n0.332401 0.335134 0.856652 Ga\n",
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{
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{
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"structure_string": "Ge7 H18 O23\n1.0\n7.716268 0.000000 0.000000\n0.076604 7.766059 0.000000\n0.057845 0.268679 7.949478\nGe H O\n7 18 23\ndirect\n0.153782 0.142569 0.869056 Ge\n0.891806 0.878544 0.860431 Ge\n0.873180 0.146511 0.126827 Ge\n0.148687 0.864681 0.141644 Ge\n0.502888 0.014676 0.005353 Ge\n0.010683 0.515246 0.994969 Ge\n0.001876 0.005161 0.482437 Ge\n0.433168 0.919369 0.541245 H\n0.641576 0.943692 0.575038 H\n0.606347 0.737918 0.929705 H\n0.436219 0.559396 0.048785 H\n0.627292 0.477884 0.046763 H\n0.984110 0.472494 0.368310 H\n0.932823 0.428141 0.553581 H\n0.455796 0.257316 0.320511 H\n0.291344 0.368148 0.282612 H\n0.230860 0.206482 0.538068 H\n0.566655 0.332529 0.703051 H\n0.666794 0.500186 0.729534 H\n0.173648 0.583203 0.557428 H\n0.215613 0.482353 0.750996 H\n0.377674 0.531079 0.599310 H\n0.594870 0.566981 0.400095 H\n0.777490 0.645627 0.424389 H\n0.593939 0.802245 0.423430 H\n0.133096 0.129463 0.108110 O\n0.897013 0.130021 0.877209 O\n0.137081 0.897080 0.872915 O\n0.901753 0.889115 0.110560 O\n0.392675 0.140362 0.849202 O\n0.144990 0.387747 0.856336 O\n0.142685 0.144052 0.608990 O\n0.635785 0.862103 0.885528 O\n0.888974 0.642369 0.851673 O\n0.858368 0.906013 0.628021 O\n0.632455 0.145064 0.124943 O\n0.869272 0.387172 0.116609 O\n0.880143 0.148460 0.358535 O\n0.384516 0.871767 0.134025 O\n0.151901 0.622792 0.128762 O\n0.142204 0.867361 0.376200 O\n0.547874 0.931566 0.488833 O\n0.544077 0.551420 0.983683 O\n0.974791 0.522793 0.479535 O\n0.368919 0.331846 0.373942 O\n0.609536 0.435619 0.642237 O\n0.268652 0.581681 0.643493 O\n0.663134 0.670003 0.369965 O\n",
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{
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],
"chemical_system": "Cu-Ti-Zn",
"density": 7.283254932837376,
"density_atomic": 0.0729893936159029,
"volume": 54.802482961421426,
"volume_molar": 8.250706659779537,
"formula_full": "Ti1 Zn1 Cu2",
"formula_reduced": "TiZnCu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:58.409000Z",
"spacegroup": 123
}
]
}