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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224203

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-1224203
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['K', 'B', 'As', 'H', 'O']
  • Chemical System: As-B-H-K-O
  • Density: 2.884172215362008
  • Atomic Density: 0.06610353959560883
  • Unit Cell Volume: 847.1558458530715
  • Molar Volume: 9.110163838185821
  • Full Formula: K8 B4 As8 H4 O32
  • Reduced Formula: K2BAs2HO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 76
  • Spacegroup Symbol: P4_1
  • Crystal System: tetragonal
  • Pointgroup: 4

Thermodynamics:

  • Final energy: -359.38595894
  • Final energy per atom: -6.417606409642858
  • 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.