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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103149

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-1103149
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 5
  • Element list: ['Ag', 'Mo', 'H', 'S', 'N']
  • Chemical System: Ag-H-Mo-N-S
  • Density: 2.9029247028101426
  • Atomic Density: 0.05492612822689436
  • Unit Cell Volume: 200.268985910678
  • Molar Volume: 10.96407293651418
  • Full Formula: Ag1 Mo1 H4 S4 N1
  • Reduced Formula: AgMoH4S4N
  • Formula Anonymous: ABCD4E4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -58.51657703
  • Final energy per atom: -5.319688820909091
  • 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.