Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-697820

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-697820
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ba', 'La', 'Mn', 'In', 'O']
  • Chemical System: Ba-In-La-Mn-O
  • Density: 6.60013875580004
  • Atomic Density: 0.07333592418655197
  • Unit Cell Volume: 545.4352753262914
  • Molar Volume: 8.211720008710705
  • Full Formula: Ba4 La4 Mn4 In4 O24
  • Reduced Formula: BaLaMnInO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -299.15322510000004
  • Final energy per atom: -7.478830627500001
  • 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.