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  1. Third-Parties
  2. MatprojStructure
  3. mp-680333

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-680333
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 2
  • Element list: ['Ge', 'Se']
  • Chemical System: Ge-Se
  • Density: 4.137943864170446
  • Atomic Density: 0.032356237055844596
  • Unit Cell Volume: 1607.109006843152
  • Molar Volume: 18.611993568987046
  • Full Formula: Ge16 Se36
  • Reduced Formula: Ge4Se9
  • Formula Anonymous: A4B9
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -227.51742049
  • Final energy per atom: -4.375335009423077
  • 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.