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  1. Third-Parties
  2. MatprojStructure
  3. mp-557631

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-557631
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ag', 'As', 'Xe', 'F']
  • Chemical System: Ag-As-F-Xe
  • Density: 4.248135792778018
  • Atomic Density: 0.05637123816282114
  • Unit Cell Volume: 496.7072023347361
  • Molar Volume: 10.68300246059136
  • Full Formula: Ag2 As2 Xe4 F20
  • Reduced Formula: AgAs(XeF5)2
  • Formula Anonymous: ABC2D10
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -98.38134186
  • Final energy per atom: -3.5136193521428574
  • 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.