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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219611

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-1219611
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Re', 'Ni', 'P']
  • Chemical System: Ni-P-Re
  • Density: 10.058583924941852
  • Atomic Density: 0.07290397579395845
  • Unit Cell Volume: 274.3334609970256
  • Molar Volume: 8.26037358651029
  • Full Formula: Re6 Ni4 P10
  • Reduced Formula: Re3Ni2P5
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -155.93804502
  • Final energy per atom: -7.796902251000001
  • 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.