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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226339

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-1226339
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 5
  • Element list: ['K', 'Mn', 'B', 'P', 'O']
  • Chemical System: B-K-Mn-O-P
  • Density: 2.7510717540168828
  • Atomic Density: 0.07090052271768442
  • Unit Cell Volume: 1974.5975718325753
  • Molar Volume: 8.4937889442357
  • Full Formula: K20 Mn8 B8 P20 O84
  • Reduced Formula: K5Mn2B2P5O21
  • Formula Anonymous: A2B2C5D5E21
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1041.57450026
  • Final energy per atom: -7.439817859
  • 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.