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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203676

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-1203676
  • 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: 72
  • Number of elements: 3
  • Element list: ['Ca', 'Ge', 'O']
  • Chemical System: Ca-Ge-O
  • Density: 3.45338157510509
  • Atomic Density: 0.0675431871416007
  • Unit Cell Volume: 1065.9846395618827
  • Molar Volume: 8.915985482554891
  • Full Formula: Ca16 Ge12 O44
  • Reduced Formula: Ca4Ge3O11
  • Formula Anonymous: A3B4C11
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -491.74017399
  • Final energy per atom: -6.82972463875
  • 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.