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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229095

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-1229095
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 7
  • Element list: ['Ba', 'Ca', 'Ce', 'Gd', 'Ti', 'Cu', 'O']
  • Chemical System: Ba-Ca-Ce-Cu-Gd-O-Ti
  • Density: 6.382961309804074
  • Atomic Density: 0.07585629750400667
  • Unit Cell Volume: 316.38770662030186
  • Molar Volume: 7.9388804333376735
  • Full Formula: Ba2 Ca1 Ce1 Gd2 Ti2 Cu2 O14
  • Reduced Formula: Ba2CaCeGd2Ti2(CuO7)2
  • Formula Anonymous: ABC2D2E2F2G14
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -209.03268735999995
  • Final energy per atom: -8.709695306666665
  • 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.