Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1214500

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-1214500
  • 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: 96
  • Number of elements: 4
  • Element list: ['Cs', 'Re', 'Se', 'I']
  • Chemical System: Cs-I-Re-Se
  • Density: 5.657261185343303
  • Atomic Density: 0.02687901549887689
  • Unit Cell Volume: 3571.5593825975975
  • Molar Volume: 22.404618056980652
  • Full Formula: Cs16 Re24 Se32 I24
  • Reduced Formula: Cs2Re3Se4I3
  • Formula Anonymous: A2B3C3D4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -562.2302464500001
  • Final energy per atom: -5.856565067187501
  • 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.