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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204302

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-1204302
  • 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: 80
  • Number of elements: 3
  • Element list: ['K', 'Xe', 'O']
  • Chemical System: K-O-Xe
  • Density: 2.132135860280942
  • Atomic Density: 0.048666200754903806
  • Unit Cell Volume: 1643.851353897579
  • Molar Volume: 12.374380302109742
  • Full Formula: K16 Xe4 O60
  • Reduced Formula: K4XeO15
  • Formula Anonymous: AB4C15
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -343.65769995999995
  • Final energy per atom: -4.2957212495
  • 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.