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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233281

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-1233281
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Ca', 'Er', 'Zr', 'O']
  • Chemical System: Ca-Er-O-Zr
  • Density: 6.851939289144671
  • Atomic Density: 0.07311677324023755
  • Unit Cell Volume: 314.56530397518503
  • Molar Volume: 8.23633277717718
  • Full Formula: Ca1 Er4 Zr4 O14
  • Reduced Formula: CaEr4Zr4O14
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -205.07952055
  • Final energy per atom: -8.916500893478261
  • 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.