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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213488

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-1213488
  • 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: 44
  • Number of elements: 4
  • Element list: ['Cs', 'W', 'I', 'Cl']
  • Chemical System: Cl-Cs-I-W
  • Density: 4.988859979665559
  • Atomic Density: 0.027381378800973275
  • Unit Cell Volume: 1606.9314960295576
  • Molar Volume: 21.9935628653804
  • Full Formula: Cs4 W12 I12 Cl16
  • Reduced Formula: CsW3I3Cl4
  • Formula Anonymous: AB3C3D4
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -253.16698837
  • Final energy per atom: -5.753795190227273
  • 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.