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  1. Third-Parties
  2. MatprojStructure
  3. mp-703492

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-703492
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Zr', 'Zn', 'C']
  • Chemical System: C-Zn-Zr
  • Density: 6.920616643124588
  • Atomic Density: 0.06053799977404134
  • Unit Cell Volume: 462.5194110229982
  • Molar Volume: 9.947703562188538
  • Full Formula: Zr12 Zn12 C4
  • Reduced Formula: Zr3Zn3C
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -168.18773219
  • Final energy per atom: -6.006704721071428
  • 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.