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  1. Third-Parties
  2. MatprojStructure
  3. mp-680197

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-680197
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Ag', 'C', 'S', 'N']
  • Chemical System: Ag-C-K-N-S
  • Density: 2.647524822783896
  • Atomic Density: 0.04847395092536236
  • Unit Cell Volume: 1320.2967527558014
  • Molar Volume: 12.423457640728678
  • Full Formula: K8 Ag8 C16 S16 N16
  • Reduced Formula: KAgC2(SN)2
  • Formula Anonymous: ABC2D2E2
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -399.51805909
  • Final energy per atom: -6.24246967328125
  • 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.