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  1. Third-Parties
  2. MatprojStructure
  3. mp-6253

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-6253
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['K', 'Li', 'Be', 'F']
  • Chemical System: Be-F-K-Li
  • Density: 2.1757498920357383
  • Atomic Density: 0.06999018538651486
  • Unit Cell Volume: 200.02804568506554
  • Molar Volume: 8.604264621879825
  • Full Formula: K2 Li2 Be2 F8
  • Reduced Formula: KLiBeF4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6

Thermodynamics:

  • Final energy: -75.81555184999999
  • Final energy per atom: -5.415396560714285
  • 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.