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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201374

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-1201374
  • 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: 58
  • Number of elements: 8
  • Element list: ['Cs', 'Ca', 'Ag', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: Ag-C-Ca-Cs-H-N-O-S
  • Density: 2.2867240101699666
  • Atomic Density: 0.04407196667914833
  • Unit Cell Volume: 1316.0293122893788
  • Molar Volume: 13.664334073952823
  • Full Formula: Cs4 Ca2 Ag4 H8 C12 S12 N12 O4
  • Reduced Formula: Cs2CaAg2H4C6S6(N3O)2
  • Formula Anonymous: AB2C2D2E4F6G6H6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -363.03075768
  • Final energy per atom: -6.259150994482759
  • 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.