Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1229152

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-1229152
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ba', 'Eu', 'Fe', 'O']
  • Chemical System: Ba-Eu-Fe-O
  • Density: 6.350606368485883
  • Atomic Density: 0.07339874961506418
  • Unit Cell Volume: 381.4778882044245
  • Molar Volume: 8.204691212837815
  • Full Formula: Ba3 Eu3 Fe6 O16
  • Reduced Formula: Ba3Eu3(Fe3O8)2
  • Formula Anonymous: A3B3C6D16
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -232.96380328
  • Final energy per atom: -8.320135831428571
  • 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.