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  1. Third-Parties
  2. MatprojStructure
  3. mp-1521779

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-1521779
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ca', 'V', 'Ge', 'O']
  • Chemical System: Ca-Ge-O-V
  • Density: 4.724265574874954
  • Atomic Density: 0.08928315771321578
  • Unit Cell Volume: 201.6057727014691
  • Molar Volume: 6.744990784648958
  • Full Formula: Ca1 V1 Ge4 O12
  • Reduced Formula: CaV(GeO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -124.03084976
  • Final energy per atom: -6.890602764444444
  • 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.