A novel energetic material， 2，7-bis（nitroamino）bis（［1，2，4］triazolo）［1，5-b：1′，5′-e］［1，2，4，5］tetrazine-5，10-diium-3，8-diide （TYX-2）， has attracted considerable interest due to its potential for combining high energy output with low sensitivity. However， the authentic crystal structure of its neutral form remained unknown， which has hindered a thorough understanding of its intrinsic properties. High-quality single crystals of the neutral solvate TYX-2·2（C₃H₆O） were successfully obtained using an acetone/n-hexane anti-solvent method. Its crystal structure was determined by single-crystal X-ray diffractometry （SC-XRD）， and its thermal decomposition behavior was analyzed using differential scanning calorimetry （DSC） and thermogravimetry-mass spectrometry-Fourier transform infrared spectroscopy （TG-MS-FTIR）. Crystal structure analysis reveals that TYX-2·2（C₃H₆O） crystal belongs to the monoclinic system， with space group P2₁/n. The unit cell parameters are a = 10.6102（6） Å， b = 6.7134（4） Å， c = 12.3101（7） Å， and the crystal density is 1.509 g·cm^-3. TYX-2 molecules construct a stable three-dimensional supramolecular framework through extensive hydrogen bonds and significant π-π stacking interactions. Thermal analysis results indicate that the thermal decomposition peak temperature of TYX-2 is 217.5 ℃ at a heating rate of 10.0 ℃·min^-1. Its decomposition process exhibits typical autocatalytic behavior. The main gaseous decomposition products are CO₂， N₂O， HCNO， CO， and NO₂. The apparent activation energies calculated by the Kissinger method and the combined kinetic analysis method are 380.04 kJ·mol^-1 and 302.40 kJ·mol^-1， respectively. The initial stage of its solid-state thermal decomposition conforms to a two-dimensional diffusion （D2） model， which subsequently transitions to chemical reaction control.