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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-3726
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'I']
  • Chemical System: Ca-H-I
  • Density: 3.9506346291270695
  • Atomic Density: 0.042486849998441045
  • Unit Cell Volume: 141.22016577411966
  • Molar Volume: 14.174128607371383
  • Full Formula: Ca2 H2 I2
  • Reduced Formula: CaHI
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm