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  1. Third-Parties
  2. MatprojStructure
  3. mp-1187442

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-1187442
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Th', 'Pd', 'O']
  • Chemical System: O-Pd-Th
  • Density: 9.690306236938596
  • Atomic Density: 0.07550193155949507
  • Unit Cell Volume: 66.22347133013452
  • Molar Volume: 7.976141319317889
  • Full Formula: Th1 Pd1 O3
  • Reduced Formula: ThPdO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -37.451195
  • Final energy per atom: -7.490239
  • 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.