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  1. Third-Parties
  2. MatprojStructure
  3. mp-1033715

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-1033715
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 4
  • Element list: ['Cs', 'Hf', 'Mg', 'O']
  • Chemical System: Cs-Hf-Mg-O
  • Density: 3.9891716770580086
  • Atomic Density: 0.06330584096209467
  • Unit Cell Volume: 236.944960718261
  • Molar Volume: 9.51277270545359
  • Full Formula: Cs1 Hf1 Mg6 O7
  • Reduced Formula: CsHfMg6O7
  • Formula Anonymous: ABC6D7
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -93.77577583
  • Final energy per atom: -6.251718388666666
  • 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.