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  1. Third-Parties
  2. MatprojStructure
  3. mp-567148

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-567148
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 3
  • Element list: ['Cr', 'B', 'H']
  • Chemical System: B-Cr-H
  • Density: 1.0573964512931455
  • Atomic Density: 0.11012867384004793
  • Unit Cell Volume: 208.84660822671347
  • Molar Volume: 5.468276834738446
  • Full Formula: Cr1 B6 H16
  • Reduced Formula: Cr(B3H8)2
  • Formula Anonymous: AB6C16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -107.20069489000002
  • Final energy per atom: -4.660899777826088
  • 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.