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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105063

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-1105063
  • 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: 14
  • Number of elements: 3
  • Element list: ['Zr', 'Fe', 'P']
  • Chemical System: Fe-P-Zr
  • Density: 7.253342385450266
  • Atomic Density: 0.08120124933693151
  • Unit Cell Volume: 172.41114039895191
  • Molar Volume: 7.416315400532936
  • Full Formula: Zr2 Fe8 P4
  • Reduced Formula: Zr(Fe2P)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -116.2894307
  • Final energy per atom: -8.306387907142858
  • 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.