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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215128

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-1215128
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Cs', 'Mg', 'Cr', 'H', 'O']
  • Chemical System: Cr-Cs-H-Mg-O
  • Density: 2.6480833903466925
  • Atomic Density: 0.07844573051619085
  • Unit Cell Volume: 790.3553143303761
  • Molar Volume: 7.676824118244467
  • Full Formula: Cs4 Mg2 Cr4 H24 O28
  • Reduced Formula: Cs2MgCr2(H6O7)2
  • Formula Anonymous: AB2C2D12E14
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -367.2612378600001
  • Final energy per atom: -5.923568352580647
  • 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.