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  1. Third-Parties
  2. MatprojStructure
  3. mp-676820

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-676820
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Tm', 'Zr', 'O']
  • Chemical System: O-Tm-Zr
  • Density: 6.7291249307244065
  • Atomic Density: 0.0856770479532075
  • Unit Cell Volume: 338.4803829356766
  • Molar Volume: 7.028884519094298
  • Full Formula: Tm2 Zr8 O19
  • Reduced Formula: Tm2Zr8O19
  • Formula Anonymous: A2B8C19
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -280.55578713
  • Final energy per atom: -9.67433748724138
  • 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.