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  1. Third-Parties
  2. MatprojStructure
  3. mp-1106199

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-1106199
  • 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: 16
  • Number of elements: 3
  • Element list: ['Cr', 'Ga', 'P']
  • Chemical System: Cr-Ga-P
  • Density: 3.955628318860496
  • Atomic Density: 0.048377605524718474
  • Unit Cell Volume: 330.73154048157306
  • Molar Volume: 12.448199315947946
  • Full Formula: Cr1 Ga7 P8
  • Reduced Formula: CrGa7P8
  • Formula Anonymous: AB7C8
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -79.14414491
  • Final energy per atom: -4.946509056875
  • 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.