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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190754

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1190754
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Cd', 'B', 'H']
  • Chemical System: B-Cd-H
  • Density: 2.2229127997978835
  • Atomic Density: 0.10362930183255845
  • Unit Cell Volume: 212.29516759214525
  • Molar Volume: 5.811233554125859
  • Full Formula: Cd2 B4 H16
  • Reduced Formula: Cd(BH4)2
  • Formula Anonymous: AB2C8
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -85.64889354
  • Final energy per atom: -3.8931315245454545
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.