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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224735

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-1224735
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['K', 'Ag', 'As', 'C', 'Se', 'O']
  • Chemical System: Ag-As-C-K-O-Se
  • Density: 3.654851580385577
  • Atomic Density: 0.03258399553305292
  • Unit Cell Volume: 1411.736014797142
  • Molar Volume: 18.481897819717023
  • Full Formula: K12 Ag4 As8 C1 Se20 O1
  • Reduced Formula: K12Ag4As8CSe20O
  • Formula Anonymous: ABC4D8E12F20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -180.58883125
  • Final energy per atom: -3.9258441576086955
  • 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.