Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-686077

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-686077
  • 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: 87
  • Number of elements: 3
  • Element list: ['Er', 'Ti', 'O']
  • Chemical System: Er-O-Ti
  • Density: 7.134144418893034
  • Atomic Density: 0.08195475686348959
  • Unit Cell Volume: 1061.5613215095516
  • Molar Volume: 7.348128394830041
  • Full Formula: Er18 Ti14 O55
  • Reduced Formula: Er18Ti14O55
  • Formula Anonymous: A14B18C55
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -792.3181521399999
  • Final energy per atom: -9.107105197011494
  • 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.