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"structure_string": "Zr6 Zn23 Si1\n1.0\n0.000000 6.224434 6.224434\n6.224434 0.000000 6.224434\n6.224434 6.224434 0.000000\nZr Zn Si\n6 23 1\ndirect\n0.710202 0.289798 0.289798 Zr\n0.289798 0.710202 0.710202 Zr\n0.289798 0.710202 0.289798 Zr\n0.710202 0.289798 0.710202 Zr\n0.289798 0.289798 0.710202 Zr\n0.710202 0.710202 0.289798 Zr\n0.122956 0.122956 0.122956 Zn\n0.877044 0.877044 0.877044 Zn\n0.122956 0.122956 0.631133 Zn\n0.122956 0.631133 0.122956 Zn\n0.877044 0.877044 0.368867 Zn\n0.877044 0.368867 0.877044 Zn\n0.631133 0.122956 0.122956 Zn\n0.368867 0.877044 0.877044 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.335770 0.335770 0.335770 Zn\n0.664230 0.664230 0.664230 Zn\n0.335770 0.335770 0.992691 Zn\n0.335770 0.992691 0.335770 Zn\n0.664230 0.664230 0.007309 Zn\n0.664230 0.007309 0.664230 Zn\n0.992691 0.335770 0.335770 Zn\n0.007309 0.664230 0.664230 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 30,
"nelements": 3,
"elements": [
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],
"chemical_system": "Si-Zn-Zr",
"density": 7.16058819886535,
"density_atomic": 0.06220018266752805,
"volume": 482.3136960924339,
"volume_molar": 9.681869894481663,
"formula_full": "Zr6 Zn23 Si1",
"formula_reduced": "Zr6Zn23Si",
"formula_anonymous": "AB6C23",
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"is_stable": null,
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"updated_at": "2021-11-28T01:37:06.389000Z",
"spacegroup": 225
},
{
"id": "mp-1207432",
"created_at": "2022-09-04T14:46:28.041567Z",
"structure_string": "Zr6 Zn23 Ge1\n1.0\n0.000000 6.231233 6.231233\n6.231233 0.000000 6.231233\n6.231233 6.231233 0.000000\nZr Zn Ge\n6 23 1\ndirect\n0.713120 0.286880 0.286880 Zr\n0.286880 0.713120 0.713120 Zr\n0.286880 0.713120 0.286880 Zr\n0.713120 0.286880 0.713120 Zr\n0.286880 0.286880 0.713120 Zr\n0.713120 0.713120 0.286880 Zr\n0.123072 0.123072 0.123072 Zn\n0.876928 0.876928 0.876928 Zn\n0.123072 0.123072 0.630783 Zn\n0.123072 0.630783 0.123072 Zn\n0.876928 0.876928 0.369217 Zn\n0.876928 0.369217 0.876928 Zn\n0.630783 0.123072 0.123072 Zn\n0.369217 0.876928 0.876928 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.335856 0.335856 0.335856 Zn\n0.664144 0.664144 0.664144 Zn\n0.335856 0.335856 0.992433 Zn\n0.335856 0.992433 0.335856 Zn\n0.664144 0.664144 0.007567 Zn\n0.664144 0.007567 0.664144 Zn\n0.992433 0.335856 0.335856 Zn\n0.007567 0.664144 0.664144 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Ge"
],
"chemical_system": "Ge-Zn-Zr",
"density": 7.290068048218191,
"density_atomic": 0.06199680183853153,
"volume": 483.8959286663518,
"volume_molar": 9.713631318732297,
"formula_full": "Zr6 Zn23 Ge1",
"formula_reduced": "Zr6Zn23Ge",
"formula_anonymous": "AB6C23",
"energy": -93.55031985,
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"energy_uncorrected": -93.55031985,
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"updated_at": "2021-11-28T01:37:34.978000Z",
"spacegroup": 225
},
{
"id": "mp-1194230",
"created_at": "2022-09-04T14:43:18.899220Z",
"structure_string": "Zr6 Zn16 Cu7\n1.0\n0.000000 6.092609 6.092609\n6.092609 0.000000 6.092609\n6.092609 6.092609 0.000000\nZr Zn Cu\n6 16 7\ndirect\n0.695885 0.695885 0.304115 Zr\n0.304115 0.695885 0.304115 Zr\n0.695885 0.304115 0.304115 Zr\n0.304115 0.304115 0.695885 Zr\n0.695885 0.304115 0.695885 Zr\n0.304115 0.695885 0.695885 Zr\n0.880167 0.880167 0.359500 Zn\n0.880167 0.359500 0.880167 Zn\n0.359500 0.880167 0.880167 Zn\n0.880167 0.880167 0.880167 Zn\n0.119833 0.119833 0.640500 Zn\n0.119833 0.640500 0.119833 Zn\n0.640500 0.119833 0.119833 Zn\n0.119833 0.119833 0.119833 Zn\n0.667746 0.667746 0.996763 Zn\n0.667746 0.996763 0.667746 Zn\n0.996763 0.667746 0.667746 Zn\n0.667746 0.667746 0.667746 Zn\n0.332254 0.332254 0.003237 Zn\n0.332254 0.003237 0.332254 Zn\n0.003237 0.332254 0.332254 Zn\n0.332254 0.332254 0.332254 Zn\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n",
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"elements": [
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"Zn",
"Cu"
],
"chemical_system": "Cu-Zn-Zr",
"density": 7.484531696120888,
"density_atomic": 0.06411476860154879,
"volume": 452.3138838763502,
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"formula_full": "Zr6 Zn16 Cu7",
"formula_reduced": "Zr6Zn16Cu7",
"formula_anonymous": "A6B7C16",
"energy": -107.20732177,
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"updated_at": "2021-11-28T01:36:15.564000Z",
"spacegroup": 225
}
]
}