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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079663

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-1079663
  • 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: 9
  • Number of elements: 4
  • Element list: ['Cs', 'Ca', 'Cl', 'O']
  • Chemical System: Ca-Cl-Cs-O
  • Density: 2.9080162624107646
  • Atomic Density: 0.032856461696220036
  • Unit Cell Volume: 273.9187220830721
  • Molar Volume: 18.32863445759534
  • Full Formula: Cs2 Ca1 Cl4 O2
  • Reduced Formula: Cs2Ca(Cl2O)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -35.63613385
  • Final energy per atom: -3.959570427777778
  • 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.