Information card for entry 1568223

Structure parameters

• Formula: Mg P2 Si
• Calculated formula: Mg P2 Si
• Title of publication: Uncovering a Vital Band Gap Mechanism of Pnictides.
• Authors of publication: Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning
• Journal of publication: Advanced science (Weinheim, Baden-Wurttemberg, Germany)
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 14
• Pages of publication: e2105787
• a: 5.7156 ± 0.0005 Å
• b: 5.7156 ± 0.0005 Å
• c: 10.074 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 329.1 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 1.3414 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No