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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201464

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-1201464
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['Cs', 'Cu', 'S']
  • Chemical System: Cs-Cu-S
  • Density: 5.435641430823408
  • Atomic Density: 0.05387552566502696
  • Unit Cell Volume: 1336.4138745979506
  • Molar Volume: 11.177878425619232
  • Full Formula: Cs8 Cu40 S24
  • Reduced Formula: CsCu5S3
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 114
  • Spacegroup Symbol: P-42_1c
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -307.55201663
  • Final energy per atom: -4.271555786527778
  • 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.