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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225035

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-1225035
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 148
  • Number of elements: 7
  • Element list: ['La', 'P', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-La-N-O-P
  • Density: 1.4108241823424266
  • Atomic Density: 0.09175546013520161
  • Unit Cell Volume: 1612.9830288238115
  • Molar Volume: 6.563250569640629
  • Full Formula: La2 P4 H88 C28 N14 Cl8 O4
  • Reduced Formula: LaP2H44C14N7(Cl2O)2
  • Formula Anonymous: AB2C2D4E7F14G44
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -809.4292381500001
  • Final energy per atom: -5.469116473986487
  • 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.