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"volume": 755.4821616759203,
"volume_molar": 14.217562247754595,
"formula_full": "Nd8 Th4 S20",
"formula_reduced": "Nd2ThS5",
"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:36:11.456000Z",
"spacegroup": 62
},
{
"id": "mp-1198414",
"created_at": "2022-09-04T14:43:55.674710Z",
"structure_string": "Tc1 P4 H36 C12 Br2\n1.0\n-4.965107 4.965107 6.546303\n4.965107 -4.965107 6.546303\n4.965107 4.965107 -6.546303\nTc P H C Br\n1 4 36 12 2\ndirect\n0.000000 0.000000 0.000000 Tc\n0.143748 0.143748 0.343557 P\n0.800191 0.800191 0.656443 P\n0.199809 0.856252 0.000000 P\n0.856252 0.199809 0.000000 P\n0.110446 0.899527 0.362409 H\n0.537118 0.748036 0.637591 H\n0.462882 0.100473 0.210918 H\n0.889554 0.251964 0.789082 H\n0.251964 0.889554 0.789082 H\n0.100473 0.462882 0.210918 H\n0.899527 0.110446 0.362409 H\n0.748036 0.537118 0.637591 H\n0.323430 0.991750 0.445161 H\n0.546589 0.878269 0.554839 H\n0.453411 0.008250 0.331679 H\n0.676570 0.121731 0.668321 H\n0.121731 0.676570 0.668321 H\n0.008250 0.453411 0.331679 H\n0.991750 0.323430 0.445161 H\n0.878269 0.546589 0.554839 H\n0.251160 0.092133 0.592904 H\n0.499229 0.658256 0.407096 H\n0.500771 0.907867 0.159027 H\n0.748840 0.341744 0.840973 H\n0.341744 0.748840 0.840973 H\n0.907867 0.500771 0.159027 H\n0.092133 0.251160 0.592904 H\n0.658256 0.499229 0.407096 H\n0.437577 0.311144 0.497046 H\n0.814098 0.940531 0.502954 H\n0.185902 0.688856 0.126434 H\n0.562423 0.059469 0.873566 H\n0.059469 0.562423 0.873566 H\n0.688856 0.185902 0.126434 H\n0.311144 0.437577 0.497046 H\n0.940531 0.814098 0.502954 H\n0.377180 0.377180 0.661720 H\n0.715460 0.715460 0.338280 H\n0.284540 0.622820 0.000000 H\n0.622820 0.284540 0.000000 H\n0.214668 0.019540 0.445313 C\n0.574227 0.769355 0.554687 C\n0.425773 0.980460 0.195128 C\n0.785332 0.230645 0.804872 C\n0.230645 0.785332 0.804872 C\n0.980460 0.425773 0.195128 C\n0.019540 0.214668 0.445313 C\n0.769355 0.574227 0.554687 C\n0.335946 0.335946 0.516625 C\n0.819321 0.819321 0.483375 C\n0.180679 0.664054 0.000000 C\n0.664054 0.180679 0.000000 C\n0.801014 0.801014 0.000000 Br\n0.198986 0.198986 0.000000 Br\n",
"nsites": 55,
"nelements": 5,
"elements": [
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"H",
"C",
"Br"
],
"chemical_system": "Br-C-H-P-Tc",
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"density_atomic": 0.08520191789067147,
"volume": 645.5253750340966,
"volume_molar": 7.068081222922036,
"formula_full": "Tc1 P4 H36 C12 Br2",
"formula_reduced": "TcP4H36(C6Br)2",
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"updated_at": "2021-11-28T01:36:25.665000Z",
"spacegroup": 121
},
{
"id": "mp-3398",
"created_at": "2022-09-04T14:43:55.704527Z",
"structure_string": "Ho2 Ni2 Pb1\n1.0\n1.959452 -7.136748 0.000000\n1.959452 7.136748 0.000000\n0.000000 0.000000 3.716572\nHo Ni Pb\n2 2 1\ndirect\n0.359441 0.640559 0.500000 Ho\n0.640559 0.359441 0.500000 Ho\n0.799228 0.200772 0.000000 Ni\n0.200772 0.799228 0.000000 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ho-Ni-Pb",
"density": 10.454814539243465,
"density_atomic": 0.048101926104849965,
"volume": 103.94594156378004,
"volume_molar": 12.519541830556358,
"formula_full": "Ho2 Ni2 Pb1",
"formula_reduced": "Ho2Ni2Pb",
"formula_anonymous": "AB2C2",
"energy": -27.06305851,
"energy_per_atom": -5.412611702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.06305851,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 4.2e-06,
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"updated_at": "2021-11-28T01:36:28.353000Z",
"spacegroup": 65
}
]
}