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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195599

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-1195599
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cs', 'Sr', 'B', 'H']
  • Chemical System: B-Cs-H-Sr
  • Density: 2.011704967460651
  • Atomic Density: 0.07770164063818628
  • Unit Cell Volume: 437.5711982494586
  • Molar Volume: 7.750339259941486
  • Full Formula: Cs2 Sr2 B6 H24
  • Reduced Formula: CsSr(BH4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -143.9678845
  • Final energy per atom: -4.234349544117647
  • 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.