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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218394

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-1218394
  • 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: 24
  • Number of elements: 5
  • Element list: ['Sr', 'Be', 'B', 'H', 'O']
  • Chemical System: B-Be-H-O-Sr
  • Density: 3.3189480696501876
  • Atomic Density: 0.08818850909922153
  • Unit Cell Volume: 272.14429912855684
  • Molar Volume: 6.828713651598811
  • Full Formula: Sr3 Be2 B5 H1 O13
  • Reduced Formula: Sr3Be2B5HO13
  • Formula Anonymous: AB2C3D5E13
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -185.51323117
  • Final energy per atom: -7.7297179654166674
  • 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.