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  1. Third-Parties
  2. MatprojStructure
  3. mp-726669

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-726669
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ge', 'P', 'Cl', 'O']
  • Chemical System: Cl-Ge-O-P
  • Density: 2.4160906409589034
  • Atomic Density: 0.042527665310570575
  • Unit Cell Volume: 470.28210587024273
  • Molar Volume: 14.160525192299122
  • Full Formula: Ge4 P4 Cl4 O8
  • Reduced Formula: GePClO2
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -119.20364304
  • Final energy per atom: -5.960182152
  • 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.