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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198667

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-1198667
  • 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: 268
  • Number of elements: 5
  • Element list: ['K', 'Sr', 'B', 'H', 'O']
  • Chemical System: B-H-K-O-Sr
  • Density: 1.8935707692140764
  • Atomic Density: 0.10487492348306011
  • Unit Cell Volume: 2555.4249872066757
  • Molar Volume: 5.742212303947687
  • Full Formula: K8 Sr4 B32 H112 O112
  • Reduced Formula: K2SrB8(HO)28
  • Formula Anonymous: AB2C8D28E28
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -1665.57779119
  • Final energy per atom: -6.214842504440298
  • 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.