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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199686

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-1199686
  • 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: 256
  • Number of elements: 6
  • Element list: ['Mo', 'P', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-Mo-N-P
  • Density: 1.1284694628796577
  • Atomic Density: 0.07105389686152207
  • Unit Cell Volume: 3602.898803691541
  • Molar Volume: 8.475454585885183
  • Full Formula: Mo4 P16 H152 C52 N16 Cl16
  • Reduced Formula: MoP4H38C13(NCl)4
  • Formula Anonymous: AB4C4D4E13F38
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1361.3843855500002
  • Final energy per atom: -5.317907756054688
  • 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.