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  1. Third-Parties
  2. MatprojStructure
  3. mp-695655

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-695655
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 6
  • Element list: ['K', 'Ga', 'B', 'P', 'H', 'O']
  • Chemical System: B-Ga-H-K-O-P
  • Density: 2.4720246256820473
  • Atomic Density: 0.07776136877400917
  • Unit Cell Volume: 462.9548137793657
  • Molar Volume: 7.74438626138591
  • Full Formula: K2 Ga2 B2 P4 H6 O20
  • Reduced Formula: KGaBP2H3O10
  • Formula Anonymous: ABCD2E3F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -200.08694653
  • Final energy per atom: -5.557970736944444
  • 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.