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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187460

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-1187460
  • 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: 5
  • Number of elements: 3
  • Element list: ['Th', 'Mo', 'O']
  • Chemical System: Mo-O-Th
  • Density: 8.997243288505276
  • Atomic Density: 0.07205596645127066
  • Unit Cell Volume: 69.39050638341453
  • Molar Volume: 8.357587936972017
  • Full Formula: Th1 Mo1 O3
  • Reduced Formula: ThMoO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -44.49545897
  • Final energy per atom: -8.899091794
  • 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.