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  1. Third-Parties
  2. MatprojStructure
  3. mp-558807

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-558807
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Zn', 'Ag', 'P', 'S']
  • Chemical System: Ag-P-S-Zn
  • Density: 3.6622396149991565
  • Atomic Density: 0.04642904292038436
  • Unit Cell Volume: 603.0707987673549
  • Molar Volume: 12.97063299436659
  • Full Formula: Zn4 Ag4 P4 S16
  • Reduced Formula: ZnAgPS4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -122.32471539
  • Final energy per atom: -4.368739835357142
  • 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.