Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1103771

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-1103771
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Ba', 'Li', 'Mn', 'V', 'O']
  • Chemical System: Ba-Li-Mn-O-V
  • Density: 3.941945352869961
  • Atomic Density: 0.07622157223483753
  • Unit Cell Volume: 367.3500713647367
  • Molar Volume: 7.90083513555175
  • Full Formula: Ba2 Li4 Mn2 V4 O16
  • Reduced Formula: BaLi2MnV2O8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -218.30379047
  • Final energy per atom: -7.796563945357143
  • 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.