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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228102

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-1228102
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Ge', 'Te', 'Se']
  • Chemical System: Ba-Ge-Se-Te
  • Density: 5.072415772641178
  • Atomic Density: 0.02724841952897665
  • Unit Cell Volume: 513.7912672370612
  • Molar Volume: 22.100880946859707
  • Full Formula: Ba4 Ge2 Te5 Se3
  • Reduced Formula: Ba4Ge2Te5Se3
  • Formula Anonymous: A2B3C4D5
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -62.94786293999999
  • Final energy per atom: -4.4962759242857135
  • 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.