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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189339

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-1189339
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Sb', 'Se']
  • Chemical System: Ba-In-Sb-Se
  • Density: 5.335144885663771
  • Atomic Density: 0.031915091452407854
  • Unit Cell Volume: 563.9965038747204
  • Molar Volume: 18.86925741378584
  • Full Formula: Ba4 In2 Sb2 Se10
  • Reduced Formula: Ba2InSbSe5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -82.16220396
  • Final energy per atom: -4.564566886666666
  • 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.