Bis(5-amino-1,2,4-triazol-3-yl)methane (BATZM, C5H8N8) was synthesized and its crystal structure characterized by single-crystal X-ray diffraction; it belongs to the space group Fdd2 (orthorhombic) with Z = 8. The structure of BATZM can be described as a V-shaped molecule with reasonable chemical geometry and no disorder. The specific molar heat capacity (Cp,m) of BATZM was determined using the continuous Cp mode of a microcalorimeter and theoretical calculations, and the Cp,m value is 211.19 J K-1 mol-1 at 298.15 K. The relative deviations between the theoretical and experimental values of Cp,m, HT - H298.15K and ST - S298.15K of BATZM are almost equivalent at each temperature. The detonation velocity (D) and detonation pressure (P) of BATZM were estimated using the nitrogen equivalent equation according to the experimental density; BATZM has a higher detonation velocity (7954.87 ± 3.29 m s-1) and detonation pressure (25.72 ± 0.03 GPa) than TNT.

中文翻译：

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双（5-氨基-1,2,4-三唑-3-基）甲烷的晶体结构，热力学性质和爆轰表征

合成了双（5-氨基-1,2,4-三唑-3-基）甲烷（BATZM，C5H8N8），并通过单晶X射线衍射表征了其晶体结构。它属于Z = 8的空间群Fdd2（斜方）。BATZM的结构可以描述为具有合理化学几何结构且无障碍的V形分子。使用微量量热计的连续Cp模式和理论计算确定BATZM的比摩尔热容（Cp，m），在298.15 K时Cp，m值为211.19 J K-1 mol-1。 BATZM的Cp，m，HT-H298.15K和ST-S298.15K的理论和实验值在每个温度下几乎相等。根据实验密度，用氮当量方程估算BATZM的爆轰速度（D）和爆轰压力（P）。