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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195654

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-1195654
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 94
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'Ag', 'S']
  • Chemical System: Ag-Ba-S-U
  • Density: 5.579318404065036
  • Atomic Density: 0.03912428378799416
  • Unit Cell Volume: 2402.599891907676
  • Molar Volume: 15.392334828754054
  • Full Formula: Ba18 U8 Ag20 S48
  • Reduced Formula: Ba9U4(Ag5S12)2
  • Formula Anonymous: A4B9C10D24
  • Spacegroup Number: 108
  • Spacegroup Symbol: I4cm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -523.54738971
  • Final energy per atom: -5.569653082021276
  • 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.