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  1. Third-Parties
  2. MatprojStructure
  3. mp-675672

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-675672
  • 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: 40
  • Number of elements: 3
  • Element list: ['Zr', 'Sc', 'O']
  • Chemical System: O-Sc-Zr
  • Density: 5.2641776213255564
  • Atomic Density: 0.08408649492106868
  • Unit Cell Volume: 475.7006465491002
  • Molar Volume: 7.161840632854225
  • Full Formula: Zr10 Sc4 O26
  • Reduced Formula: Zr5Sc2O13
  • Formula Anonymous: A2B5C13
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -391.75564482
  • Final energy per atom: -9.7938911205
  • 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.