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  1. Third-Parties
  2. MatprojStructure
  3. mp-1022815

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-1022815
  • 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: 16
  • Number of elements: 3
  • Element list: ['K', 'Y', 'Mg']
  • Chemical System: K-Mg-Y
  • Density: 2.0554393268739846
  • Atomic Density: 0.036162458055293424
  • Unit Cell Volume: 442.4477997467857
  • Molar Volume: 16.653018306421473
  • Full Formula: K2 Y2 Mg12
  • Reduced Formula: KYMg6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -31.53451294
  • Final energy per atom: -1.97090705875
  • 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.