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  1. Third-Parties
  2. MatprojStructure
  3. mp-745107

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-745107
  • 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: 44
  • Number of elements: 6
  • Element list: ['Ca', 'Mn', 'Al', 'Si', 'H', 'O']
  • Chemical System: Al-Ca-H-Mn-O-Si
  • Density: 3.360510805002395
  • Atomic Density: 0.09231010083021374
  • Unit Cell Volume: 476.65422964849034
  • Molar Volume: 6.523815601801306
  • Full Formula: Ca4 Mn2 Al4 Si6 H2 O26
  • Reduced Formula: Ca2MnAl2Si3HO13
  • Formula Anonymous: ABC2D2E3F13
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -346.53342041
  • Final energy per atom: -7.875759554772728
  • 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.