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  1. Third-Parties
  2. MatprojStructure
  3. mp-603946

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-603946
  • 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: 106
  • Number of elements: 6
  • Element list: ['Ag', 'Mo', 'H', 'C', 'N', 'O']
  • Chemical System: Ag-C-H-Mo-N-O
  • Density: 2.6298931437877755
  • Atomic Density: 0.09411284790149446
  • Unit Cell Volume: 1126.3074315947545
  • Molar Volume: 6.398850841601586
  • Full Formula: Ag2 Mo8 H44 C16 N6 O30
  • Reduced Formula: AgMo4H22C8(NO5)3
  • Formula Anonymous: AB3C4D8E15F22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -675.98010492
  • Final energy per atom: -6.377170801132076
  • 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.