Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1297861

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-1297861
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'Y', 'Mn', 'Co', 'O']
  • Chemical System: Ba-Co-Mn-O-Y
  • Density: 5.74386704674142
  • Atomic Density: 0.07410439779325596
  • Unit Cell Volume: 242.9005637454641
  • Molar Volume: 8.126563253102987
  • Full Formula: Ba2 Y2 Mn2 Co2 O10
  • Reduced Formula: BaYMnCoO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 35
  • Spacegroup Symbol: Cmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -145.37821379
  • Final energy per atom: -8.076567432777777
  • 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.