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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214021

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-1214021
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Zn', 'F']
  • Chemical System: Ca-F-Zn
  • Density: 3.2003816210352336
  • Atomic Density: 0.053729125530786154
  • Unit Cell Volume: 297.7900690163325
  • Molar Volume: 11.208335703415433
  • Full Formula: Ca4 Zn4 F8
  • Reduced Formula: CaZnF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -72.04343919
  • Final energy per atom: -4.502714949375
  • 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.