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  1. Third-Parties
  2. MatprojStructure
  3. mp-721171

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-721171
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 5
  • Element list: ['Cs', 'Mg', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cs-H-Mg-O
  • Density: 1.919745798214423
  • Atomic Density: 0.07154434616250059
  • Unit Cell Volume: 642.9578641409199
  • Molar Volume: 8.417353827403426
  • Full Formula: Cs2 Mg2 H24 Cl6 O12
  • Reduced Formula: CsMgH12(ClO2)3
  • Formula Anonymous: ABC3D6E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -226.52514445
  • Final energy per atom: -4.924459661956521
  • 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.