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  1. Third-Parties
  2. MatprojStructure
  3. mp-636383

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-636383
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Ba', 'Sm', 'Cu', 'O']
  • Chemical System: Ba-Cu-O-Sm
  • Density: 6.587852147756057
  • Atomic Density: 0.060158037386241536
  • Unit Cell Volume: 565.178012402645
  • Molar Volume: 10.010533956311042
  • Full Formula: Ba8 Sm4 Cu4 O18
  • Reduced Formula: Ba4Sm2Cu2O9
  • Formula Anonymous: A2B2C4D9
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -232.74494509
  • Final energy per atom: -6.845439561470588
  • 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.