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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205224

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-1205224
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Ge', 'H', 'Se', 'N']
  • Chemical System: Ge-H-N-Se
  • Density: 2.6991876606752587
  • Atomic Density: 0.07789339099494645
  • Unit Cell Volume: 1848.6805897222062
  • Molar Volume: 7.731260230268704
  • Full Formula: Ge8 H80 Se24 N32
  • Reduced Formula: GeH10Se3N4
  • Formula Anonymous: AB3C4D10
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -708.75526644
  • Final energy per atom: -4.9219115725
  • 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.