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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173594

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-1173594
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 3
  • Element list: ['Pr', 'Si', 'Se']
  • Chemical System: Pr-Se-Si
  • Density: 5.554807039991756
  • Atomic Density: 0.037240428633648265
  • Unit Cell Volume: 2416.728359530247
  • Molar Volume: 16.170975955305593
  • Full Formula: Pr24 Si10 Se56
  • Reduced Formula: Pr12Si5Se28
  • Formula Anonymous: A5B12C28
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -516.0479182299999
  • Final energy per atom: -5.7338657581111105
  • 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.