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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200698

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-1200698
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 5
  • Element list: ['P', 'H', 'W', 'C', 'Cl']
  • Chemical System: C-Cl-H-P-W
  • Density: 1.4622624265109387
  • Atomic Density: 0.08663315943723168
  • Unit Cell Volume: 634.8608357040141
  • Molar Volume: 6.951311482946922
  • Full Formula: P4 H36 W1 C12 Cl2
  • Reduced Formula: P4H36W(C6Cl)2
  • Formula Anonymous: AB2C4D12E36
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -284.50954699
  • Final energy per atom: -5.172900854363636
  • 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.