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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234626

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-1234626
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 6
  • Element list: ['Mg', 'Cd', 'Cu', 'As', 'H', 'O']
  • Chemical System: As-Cd-Cu-H-Mg-O
  • Density: 4.929645470472351
  • Atomic Density: 0.08125372699090802
  • Unit Cell Volume: 455.36372755110864
  • Molar Volume: 7.411525579219099
  • Full Formula: Mg1 Cd4 Cu4 As4 H4 O20
  • Reduced Formula: MgCd4Cu4As4(HO5)4
  • Formula Anonymous: AB4C4D4E4F20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -206.0056254
  • Final energy per atom: -5.567719605405406
  • 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.