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  1. Third-Parties
  2. MatprojStructure
  3. mp-560825

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-560825
  • 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: 38
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'W', 'O']
  • Chemical System: Ba-La-Mn-O-W
  • Density: 7.19089505179997
  • Atomic Density: 0.07049988291364892
  • Unit Cell Volume: 539.007987382673
  • Molar Volume: 8.54205781784937
  • Full Formula: Ba4 La4 Mn2 W4 O24
  • Reduced Formula: Ba2La2Mn(WO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -327.92853759
  • Final energy per atom: -8.629698357631579
  • 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.