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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228946

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-1228946
  • 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: 6
  • Element list: ['Ba', 'Mg', 'Mn', 'V', 'Cl', 'O']
  • Chemical System: Ba-Cl-Mg-Mn-O-V
  • Density: 4.053138799487548
  • Atomic Density: 0.05322371961088237
  • Unit Cell Volume: 1164.8941572156334
  • Molar Volume: 11.314768685893734
  • Full Formula: Ba10 Mg1 Mn3 V8 Cl12 O28
  • Reduced Formula: Ba10MgMn3V8(Cl3O7)4
  • Formula Anonymous: AB3C8D10E12F28
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -452.03225242
  • Final energy per atom: -7.2908427809677425
  • 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.