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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200006

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-1200006
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 288
  • Number of elements: 6
  • Element list: ['Ag', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: Ag-C-H-N-O-S
  • Density: 2.1179538710328996
  • Atomic Density: 0.08255453103170887
  • Unit Cell Volume: 3488.603186291257
  • Molar Volume: 7.294742862371685
  • Full Formula: Ag16 H128 C48 S32 N16 O48
  • Reduced Formula: AgH8C3S2NO3
  • Formula Anonymous: ABC2D3E3F8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1534.97359575
  • Final energy per atom: -5.3297694296875
  • 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.