Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1222824

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-1222824
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Lu', 'Sc', 'Fe', 'O']
  • Chemical System: Fe-Lu-O-Sc
  • Density: 5.942903002389907
  • Atomic Density: 0.08369555435637134
  • Unit Cell Volume: 358.4419773631172
  • Molar Volume: 7.19529347324475
  • Full Formula: Lu3 Sc3 Fe6 O18
  • Reduced Formula: LuSc(FeO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -257.61531849
  • Final energy per atom: -8.587177282999999
  • 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.