Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1214783

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-1214783
  • 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: 56
  • Number of elements: 5
  • Element list: ['Ba', 'Ho', 'Cu', 'Pt', 'O']
  • Chemical System: Ba-Cu-Ho-O-Pt
  • Density: 8.23915991785359
  • Atomic Density: 0.07008530007355519
  • Unit Cell Volume: 799.0263285057988
  • Molar Volume: 8.592587537871289
  • Full Formula: Ba8 Ho8 Cu4 Pt4 O32
  • Reduced Formula: Ba2Ho2CuPtO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -401.43175244
  • Final energy per atom: -7.168424150714286
  • 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.