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  1. Third-Parties
  2. MatprojStructure
  3. mp-12364

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-12364
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ba', 'Cu', 'Sn', 'Se']
  • Chemical System: Ba-Cu-Se-Sn
  • Density: 5.299959512046295
  • Atomic Density: 0.03653049244229552
  • Unit Cell Volume: 437.9902632102209
  • Molar Volume: 16.48524385350875
  • Full Formula: Ba2 Cu4 Sn2 Se8
  • Reduced Formula: BaCu2SnSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -71.83097081999999
  • Final energy per atom: -4.489435676249999
  • 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.