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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201665

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-1201665
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 106
  • Number of elements: 3
  • Element list: ['Er', 'Al', 'Cr']
  • Chemical System: Al-Cr-Er
  • Density: 4.410669694250791
  • Atomic Density: 0.05935583168667037
  • Unit Cell Volume: 1785.8396890057322
  • Molar Volume: 10.14582828489353
  • Full Formula: Er12 Al86 Cr8
  • Reduced Formula: Er6Al43Cr4
  • Formula Anonymous: A4B6C43
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -482.21333326
  • Final energy per atom: -4.549182389245283
  • 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.