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  1. Third-Parties
  2. MatprojStructure
  3. mp-541566

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-541566
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 65
  • Number of elements: 5
  • Element list: ['K', 'Mg', 'B', 'H', 'O']
  • Chemical System: B-H-K-Mg-O
  • Density: 1.9643378682430457
  • Atomic Density: 0.10498984461294511
  • Unit Cell Volume: 619.1074978692328
  • Molar Volume: 5.735926919599877
  • Full Formula: K2 Mg1 B12 H20 O30
  • Reduced Formula: K2MgB12(H2O3)10
  • Formula Anonymous: AB2C12D20E30
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -438.99685287
  • Final energy per atom: -6.7537977364615385
  • 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.