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  1. Third-Parties
  2. MatprojStructure
  3. mp-41109

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-41109
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Ca', 'Er', 'Ge', 'B', 'O']
  • Chemical System: B-Ca-Er-Ge-O
  • Density: 5.689348727615
  • Atomic Density: 0.07643948168540314
  • Unit Cell Volume: 575.6187644114053
  • Molar Volume: 7.878311871324458
  • Full Formula: Ca6 Er6 Ge4 B2 O26
  • Reduced Formula: Ca3Er3Ge2BO13
  • Formula Anonymous: AB2C3D3E13
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -346.22544018
  • Final energy per atom: -7.86876000409091
  • 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.