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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228759

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-1228759
  • 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: 34
  • Number of elements: 5
  • Element list: ['Ba', 'Ge', 'Pb', 'Se', 'Br']
  • Chemical System: Ba-Br-Ge-Pb-Se
  • Density: 5.013438726364024
  • Atomic Density: 0.03031152470760577
  • Unit Cell Volume: 1121.6855743145352
  • Molar Volume: 19.86749534406933
  • Full Formula: Ba8 Ge4 Pb2 Se16 Br4
  • Reduced Formula: Ba4Ge2Pb(Se4Br)2
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -157.75342042999998
  • Final energy per atom: -4.639806483235294
  • 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.