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  1. Third-Parties
  2. MatprojStructure
  3. mp-555982

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-555982
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Si', 'Ge', 'P', 'O']
  • Chemical System: Ge-O-P-Si
  • Density: 3.0300769878831235
  • Atomic Density: 0.07639232672312816
  • Unit Cell Volume: 942.503037784836
  • Molar Volume: 7.883174944816503
  • Full Formula: Si4 Ge6 P12 O50
  • Reduced Formula: Si2Ge3P6O25
  • Formula Anonymous: A2B3C6D25
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -549.95549666
  • Final energy per atom: -7.638270786944444
  • 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.