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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213271

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-1213271
  • 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: 18
  • Number of elements: 4
  • Element list: ['Er', 'Be', 'N', 'F']
  • Chemical System: Be-Er-F-N
  • Density: 3.931299685736248
  • Atomic Density: 0.07002818234056013
  • Unit Cell Volume: 257.03937184122015
  • Molar Volume: 8.599595989387824
  • Full Formula: Er2 Be2 N2 F12
  • Reduced Formula: ErBeNF6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -104.27549978
  • Final energy per atom: -5.793083321111111
  • 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.