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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224221

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-1224221
  • 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: 79
  • Number of elements: 4
  • Element list: ['K', 'Be', 'P', 'O']
  • Chemical System: Be-K-O-P
  • Density: 2.0447566106119317
  • Atomic Density: 0.06393671710022358
  • Unit Cell Volume: 1235.5967522724707
  • Molar Volume: 9.418908309852744
  • Full Formula: K7 Be12 P12 O48
  • Reduced Formula: K7Be12(PO4)12
  • Formula Anonymous: A7B12C12D48
  • Spacegroup Number: 197
  • Spacegroup Symbol: I23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -573.40214169
  • Final energy per atom: -7.258254958101266
  • 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.