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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191082

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-1191082
  • 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: 24
  • Number of elements: 5
  • Element list: ['Nd', 'P', 'H', 'C', 'O']
  • Chemical System: C-H-Nd-O-P
  • Density: 3.4908015114672026
  • Atomic Density: 0.0797771035943893
  • Unit Cell Volume: 300.8381969095192
  • Molar Volume: 7.548708199057174
  • Full Formula: Nd2 P4 H4 C2 O12
  • Reduced Formula: NdP2H2CO6
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -174.18871083
  • Final energy per atom: -7.25786295125
  • 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.