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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229282

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-1229282
  • 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: 92
  • Number of elements: 5
  • Element list: ['Ba', 'U', 'Fe', 'S', 'O']
  • Chemical System: Ba-Fe-O-S-U
  • Density: 4.499809784555024
  • Atomic Density: 0.03624014038765639
  • Unit Cell Volume: 2538.621512386187
  • Molar Volume: 16.61732183038446
  • Full Formula: Ba28 U4 Fe8 S50 O2
  • Reduced Formula: Ba14U2Fe4S25O
  • Formula Anonymous: AB2C4D14E25
  • Spacegroup Number: 75
  • Spacegroup Symbol: P4
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -556.72404213
  • Final energy per atom: -6.051348284021739
  • 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.