Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1228610

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-1228610
  • 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: 46
  • Number of elements: 5
  • Element list: ['Ba', 'Eu', 'Ta', 'Ti', 'O']
  • Chemical System: Ba-Eu-O-Ta-Ti
  • Density: 6.941212729104825
  • Atomic Density: 0.07366165521178074
  • Unit Cell Volume: 624.476871552069
  • Molar Volume: 8.17540787358913
  • Full Formula: Ba4 Eu2 Ta6 Ti4 O30
  • Reduced Formula: Ba2EuTa3Ti2O15
  • Formula Anonymous: AB2C2D3E15
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -437.45370090000006
  • Final energy per atom: -9.509863063043479
  • 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.