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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213409

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-1213409
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Fe', 'Ag', 'P', 'Xe', 'F']
  • Chemical System: Ag-F-Fe-P-Xe
  • Density: 2.9882777559611426
  • Atomic Density: 0.034101537898214684
  • Unit Cell Volume: 821.0773391972414
  • Molar Volume: 17.659440398185907
  • Full Formula: Fe8 Ag2 P2 Xe4 F12
  • Reduced Formula: Fe4AgP(XeF3)2
  • Formula Anonymous: ABC2D4E6
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -130.52374928
  • Final energy per atom: -4.661562474285715
  • 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.