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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193872

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-1193872
  • 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: 28
  • Number of elements: 3
  • Element list: ['Pr', 'Ge', 'Ru']
  • Chemical System: Ge-Pr-Ru
  • Density: 7.943725497026223
  • Atomic Density: 0.04348123057271034
  • Unit Cell Volume: 643.9560157612775
  • Molar Volume: 13.849977750582829
  • Full Formula: Pr12 Ge8 Ru8
  • Reduced Formula: Pr3(GeRu)2
  • Formula Anonymous: A2B2C3
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -185.15233241
  • Final energy per atom: -6.6125833003571435
  • 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.