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  1. Third-Parties
  2. MatprojStructure
  3. mp-729389

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-729389
  • 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: 90
  • Number of elements: 5
  • Element list: ['Mg', 'Mn', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Mg-Mn-O
  • Density: 1.7793993493755091
  • Atomic Density: 0.09056460508680064
  • Unit Cell Volume: 993.7657202142105
  • Molar Volume: 6.649552277325281
  • Full Formula: Mg4 Mn2 H48 Cl12 O24
  • Reduced Formula: Mg2MnH24(ClO2)6
  • Formula Anonymous: AB2C6D12E24
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -459.58323552
  • Final energy per atom: -5.106480394666667
  • 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.