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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196241

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-1196241
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Sr', 'Be', 'H', 'O']
  • Chemical System: Be-H-O-Sr
  • Density: 2.5577339946335473
  • Atomic Density: 0.09354360441761966
  • Unit Cell Volume: 855.2161368814154
  • Molar Volume: 6.437789945654139
  • Full Formula: Sr8 Be8 H32 O32
  • Reduced Formula: SrBe(HO)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -475.03350072
  • Final energy per atom: -5.937918759
  • 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.