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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197741

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-1197741
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 232
  • Number of elements: 5
  • Element list: ['Mo', 'P', 'H', 'C', 'Cl']
  • Chemical System: C-Cl-H-Mo-P
  • Density: 1.1720085757500573
  • Atomic Density: 0.0641635124437112
  • Unit Cell Volume: 3615.7621545972397
  • Molar Volume: 9.385615797269594
  • Full Formula: Mo8 P16 H144 C48 Cl16
  • Reduced Formula: MoP2H18(C3Cl)2
  • Formula Anonymous: AB2C2D6E18
  • Spacegroup Number: 96
  • Spacegroup Symbol: P4_32_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -1191.2850730500002
  • Final energy per atom: -5.134849452801725
  • 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.