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  1. Third-Parties
  2. MatprojStructure
  3. mp-20817

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-20817
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ge', 'Pt', 'Se']
  • Chemical System: Ge-Pt-Se
  • Density: 10.111171291847148
  • Atomic Density: 0.05269141072765155
  • Unit Cell Volume: 227.74110304286472
  • Molar Volume: 11.429074828014963
  • Full Formula: Ge4 Pt4 Se4
  • Reduced Formula: GePtSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -65.2613615
  • Final energy per atom: -5.438446791666667
  • 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.