Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1219945

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-1219945
  • 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: 29
  • Number of elements: 3
  • Element list: ['Pr', 'Ho', 'Mn']
  • Chemical System: Ho-Mn-Pr
  • Density: 7.975552458403783
  • Atomic Density: 0.06457228984474397
  • Unit Cell Volume: 449.10905389489653
  • Molar Volume: 9.326199790156872
  • Full Formula: Pr4 Ho2 Mn23
  • Reduced Formula: Pr4Ho2Mn23
  • Formula Anonymous: A2B4C23
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -234.17111362
  • Final energy per atom: -8.074865986896551
  • 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.