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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212188

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-1212188
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['K', 'Be', 'Ni', 'F']
  • Chemical System: Be-F-K-Ni
  • Density: 2.9637554079610435
  • Atomic Density: 0.07525838935740894
  • Unit Cell Volume: 1009.8541923222549
  • Molar Volume: 8.001952754264117
  • Full Formula: K8 Be12 Ni8 F48
  • Reduced Formula: K2Be3Ni2F12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -426.3538002
  • Final energy per atom: -5.609918423684211
  • 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.