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  1. Third-Parties
  2. MatprojStructure
  3. mp-769025

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-769025
  • 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: 28
  • Number of elements: 3
  • Element list: ['K', 'Mg', 'O']
  • Chemical System: K-Mg-O
  • Density: 2.651784027951355
  • Atomic Density: 0.06394899728653371
  • Unit Cell Volume: 437.84892942951905
  • Molar Volume: 9.417099587999536
  • Full Formula: K8 Mg8 O12
  • Reduced Formula: K2Mg2O3
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -144.30358416
  • Final energy per atom: -5.1536994342857145
  • 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.