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  1. Third-Parties
  2. MatprojStructure
  3. mp-707457

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-707457
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'B', 'H', 'O']
  • Chemical System: B-H-K-Mg-O
  • Density: 2.0487127741900837
  • Atomic Density: 0.11019234229534496
  • Unit Cell Volume: 1161.6052198702316
  • Molar Volume: 5.465117298132252
  • Full Formula: K2 Mg4 B24 H38 O60
  • Reduced Formula: KMg2B12H19O30
  • Formula Anonymous: AB2C12D19E30
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -873.5760194200001
  • Final energy per atom: -6.824812651718751
  • 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.