Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1236228

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-1236228
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Eu', 'Cu', 'O']
  • Chemical System: Ba-Cu-Eu-Li-O
  • Density: 5.7243598460117635
  • Atomic Density: 0.06761561641318328
  • Unit Cell Volume: 236.6317257573713
  • Molar Volume: 8.906434754953796
  • Full Formula: Ba2 Li1 Eu1 Cu4 O8
  • Reduced Formula: Ba2LiEu(CuO2)4
  • Formula Anonymous: ABC2D4E8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -101.76887181
  • Final energy per atom: -6.360554488125
  • 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.