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"elements": [
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],
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"density_atomic": 0.10225337213155969,
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"volume_molar": 5.889429985988026,
"formula_full": "Si4 B8 H200 C84 N8",
"formula_reduced": "SiB2H50C21N2",
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"updated_at": "2021-11-28T01:36:59.413000Z",
"spacegroup": 33
},
{
"id": "mp-647549",
"created_at": "2022-09-04T14:39:27.741449Z",
"structure_string": "C16 Se16 Cl48 F48\n1.0\n7.739865 0.000000 0.000000\n0.000000 19.530119 0.000000\n0.000000 0.000000 19.690189\nC Se Cl F\n16 16 48 48\ndirect\n0.821233 0.923067 0.403316 C\n0.321233 0.576933 0.596684 C\n0.595348 0.697387 0.410544 C\n0.321233 0.923067 0.096684 C\n0.678767 0.423067 0.403316 C\n0.178767 0.423067 0.096684 C\n0.678767 0.076933 0.903316 C\n0.095348 0.697387 0.089456 C\n0.821233 0.576933 0.903316 C\n0.904652 0.197387 0.410544 C\n0.904652 0.302613 0.910544 C\n0.404652 0.302613 0.589456 C\n0.404652 0.197387 0.089456 C\n0.095348 0.802613 0.589456 C\n0.595348 0.802613 0.910544 C\n0.178767 0.076933 0.596684 C\n0.907849 0.433603 0.341805 Se\n0.407849 0.066397 0.658195 Se\n0.910258 0.742731 0.157371 Se\n0.089742 0.242731 0.342629 Se\n0.089742 0.257269 0.842629 Se\n0.589742 0.257269 0.657371 Se\n0.092151 0.566397 0.658195 Se\n0.910258 0.757269 0.657371 Se\n0.410258 0.742731 0.342629 Se\n0.407849 0.433603 0.158195 Se\n0.592151 0.566397 0.841805 Se\n0.907849 0.066397 0.841805 Se\n0.589742 0.242731 0.157371 Se\n0.092151 0.933603 0.158195 Se\n0.592151 0.933603 0.341805 Se\n0.410258 0.757269 0.842629 Se\n0.943357 0.659221 0.233018 Cl\n0.515563 0.472704 0.900655 Cl\n0.515563 0.027296 0.400655 Cl\n0.753026 0.489924 0.260675 Cl\n0.753026 0.010076 0.760675 Cl\n0.443357 0.659221 0.266982 Cl\n0.246974 0.989924 0.239325 Cl\n0.484437 0.527296 0.099345 Cl\n0.246974 0.510076 0.739325 Cl\n0.015563 0.027296 0.099345 Cl\n0.855444 0.316480 0.277844 Cl\n0.015563 0.472704 0.599345 Cl\n0.056643 0.340779 0.766982 Cl\n0.984437 0.527296 0.400655 Cl\n0.304665 0.192862 0.401307 Cl\n0.253026 0.010076 0.739325 Cl\n0.195335 0.692862 0.401307 Cl\n0.084022 0.355733 0.422121 Cl\n0.943357 0.840779 0.733018 Cl\n0.355444 0.183520 0.722156 Cl\n0.415978 0.644267 0.922121 Cl\n0.695335 0.807138 0.598693 Cl\n0.746974 0.989924 0.260675 Cl\n0.443357 0.840779 0.766982 Cl\n0.804665 0.307138 0.598693 Cl\n0.144556 0.816480 0.222156 Cl\n0.484437 0.972704 0.599345 Cl\n0.144556 0.683520 0.722156 Cl\n0.804665 0.192862 0.098693 Cl\n0.195335 0.807138 0.901307 Cl\n0.304665 0.307138 0.901307 Cl\n0.056643 0.159221 0.266982 Cl\n0.253026 0.489924 0.239325 Cl\n0.415978 0.855733 0.422121 Cl\n0.915978 0.644267 0.577879 Cl\n0.644556 0.683520 0.777844 Cl\n0.355444 0.316480 0.222156 Cl\n0.984437 0.972704 0.900655 Cl\n0.556643 0.159221 0.233018 Cl\n0.084022 0.144267 0.922121 Cl\n0.644556 0.816480 0.277844 Cl\n0.584022 0.355733 0.077879 Cl\n0.915978 0.855733 0.077879 Cl\n0.746974 0.510076 0.760675 Cl\n0.584022 0.144267 0.577879 Cl\n0.695335 0.692862 0.098693 Cl\n0.556643 0.340779 0.733018 Cl\n0.855444 0.183520 0.777844 Cl\n0.774829 0.590817 0.967264 F\n0.745810 0.216909 0.392696 F\n0.225171 0.090817 0.532736 F\n0.745810 0.283091 0.892696 F\n0.418784 0.872730 0.121753 F\n0.581216 0.127270 0.878247 F\n0.418177 0.129190 0.093303 F\n0.591204 0.017931 0.901743 F\n0.908796 0.517931 0.901743 F\n0.774829 0.909183 0.467264 F\n0.581216 0.372730 0.378247 F\n0.418177 0.370810 0.593303 F\n0.440197 0.217655 0.026148 F\n0.081216 0.127270 0.621753 F\n0.059803 0.782345 0.526148 F\n0.918177 0.370810 0.906697 F\n0.559803 0.782345 0.973852 F\n0.440197 0.282345 0.526148 F\n0.245810 0.216909 0.107304 F\n0.754190 0.716909 0.392696 F\n0.559803 0.717655 0.473852 F\n0.918784 0.872730 0.378247 F\n0.725171 0.409183 0.467264 F\n0.254190 0.716909 0.107304 F\n0.754190 0.783091 0.892696 F\n0.408796 0.982069 0.098257 F\n0.940197 0.282345 0.973852 F\n0.918177 0.129190 0.406697 F\n0.408796 0.517931 0.598257 F\n0.081823 0.870810 0.593303 F\n0.091204 0.017931 0.598257 F\n0.908796 0.982069 0.401743 F\n0.274829 0.590817 0.532736 F\n0.091204 0.482069 0.098257 F\n0.274829 0.909183 0.032736 F\n0.254190 0.783091 0.607304 F\n0.940197 0.217655 0.473852 F\n0.245810 0.283091 0.607304 F\n0.581823 0.629190 0.406697 F\n0.418784 0.627270 0.621753 F\n0.081823 0.629190 0.093303 F\n0.225171 0.409183 0.032736 F\n0.059803 0.717655 0.026148 F\n0.581823 0.870810 0.906697 F\n0.081216 0.372730 0.121753 F\n0.918784 0.627270 0.878247 F\n0.591204 0.482069 0.401743 F\n0.725171 0.090817 0.967264 F\n",
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"elements": [
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],
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"density": 2.270229793533992,
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"volume": 2976.3785090171496,
"volume_molar": 14.003258075265784,
"formula_full": "C16 Se16 Cl48 F48",
"formula_reduced": "CSe(ClF)3",
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"updated_at": "2021-11-28T01:34:35.207000Z",
"spacegroup": 61
}
]
}