Table 1 The bulk modulus value and corresponding percentage in volume change for pure and doped MgH2 systems at 100 atm applied pressure

From: Screening based approach and dehydrogenation kinetics for MgH2: Guide to find suitable dopant using first-principles approach

System

Bulk modulus (GPa)

% of ΔV (at 100 atm Pressure)

MgH2

52.33

0.0193

Ca_MgH2

50.49

0.0201

Sr_MgH2

51.27

0.0195

Ba_MgH2

48.40

0.0209

Al_MgH2

51.96

0.0194

Ga_MgH2

47.99

0.0211

In_MgH2

49.32

0.0205

Sc_MgH2

52.06

0.0194

Ti_MgH2

53.92

0.0187

V_MgH2

53.49

0.0189

Ni_MgH2

54.21

0.0186

Nb_MgH2

55.32

0.0183

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