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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204954

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-1204954
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 95
  • Number of elements: 4
  • Element list: ['Cd', 'Ge', 'B', 'O']
  • Chemical System: B-Cd-Ge-O
  • Density: 5.450241941333507
  • Atomic Density: 0.08665569716818881
  • Unit Cell Volume: 1096.2926051545792
  • Molar Volume: 6.949503560408398
  • Full Formula: Cd12 Ge17 B8 O58
  • Reduced Formula: Cd12Ge17(B4O29)2
  • Formula Anonymous: A8B12C17D58
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -630.7119582
  • Final energy per atom: -6.639073244210526
  • 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.