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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226101

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-1226101
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Cs', 'Na', 'Y', 'Ho', 'Cl']
  • Chemical System: Cl-Cs-Ho-Na-Y
  • Density: 3.3183538405032613
  • Atomic Density: 0.030865416362796775
  • Unit Cell Volume: 1295.9488227806146
  • Molar Volume: 19.510965571352887
  • Full Formula: Cs8 Na4 Y1 Ho3 Cl24
  • Reduced Formula: Cs8Na4YHo3Cl24
  • Formula Anonymous: AB3C4D8E24
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -177.11142414999998
  • Final energy per atom: -4.427785603749999
  • 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.