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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215370

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-1215370
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Zr', 'Cu', 'S']
  • Chemical System: Cu-S-Zr
  • Density: 3.930213181641799
  • Atomic Density: 0.044920427857725986
  • Unit Cell Volume: 289.40062728641385
  • Molar Volume: 13.406240873469855
  • Full Formula: Zr4 Cu1 S8
  • Reduced Formula: Zr4CuS8
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -93.67634115
  • Final energy per atom: -7.205872396153846
  • 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.