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{
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{
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"structure_string": "Yb8 Ni2 B26\n1.0\n7.367052 0.000000 0.000000\n0.000000 7.367052 0.000000\n0.000000 0.000000 6.753402\nYb Ni B\n8 2 26\ndirect\n0.680352 0.189365 0.500000 Yb\n0.319648 0.810635 0.500000 Yb\n0.180352 0.310635 0.000000 Yb\n0.819648 0.689365 0.000000 Yb\n0.810635 0.680352 0.500000 Yb\n0.189365 0.319648 0.500000 Yb\n0.689365 0.180352 0.000000 Yb\n0.310635 0.819648 0.000000 Yb\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.908359 0.408359 0.250000 B\n0.091641 0.591641 0.250000 B\n0.408359 0.091641 0.750000 B\n0.591641 0.908359 0.750000 B\n0.591641 0.908359 0.250000 B\n0.408359 0.091641 0.250000 B\n0.908359 0.408359 0.750000 B\n0.091641 0.591641 0.750000 B\n0.538285 0.667890 0.234944 B\n0.461715 0.332110 0.234944 B\n0.038285 0.832110 0.734944 B\n0.961715 0.167890 0.734944 B\n0.332110 0.538285 0.234944 B\n0.667890 0.461715 0.234944 B\n0.167890 0.038285 0.734944 B\n0.832110 0.961715 0.734944 B\n0.461715 0.332110 0.765056 B\n0.538285 0.667890 0.765056 B\n0.961715 0.167890 0.265056 B\n0.038285 0.832110 0.265056 B\n0.667890 0.461715 0.765056 B\n0.332110 0.538285 0.765056 B\n0.832110 0.961715 0.265056 B\n0.167890 0.038285 0.265056 B\n",
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{
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"structure_string": "Na1 Er1 Pd6 O8\n1.0\n5.815797 0.000000 0.000000\n0.000000 5.815797 0.000000\n0.000000 0.000000 5.815797\nNa Er Pd O\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Er\n0.250935 0.000000 0.500000 Pd\n0.749065 0.000000 0.500000 Pd\n0.500000 0.250935 0.000000 Pd\n0.500000 0.749065 0.000000 Pd\n0.000000 0.500000 0.250935 Pd\n0.000000 0.500000 0.749065 Pd\n0.239783 0.239783 0.239783 O\n0.760217 0.760217 0.760217 O\n0.760217 0.760217 0.239783 O\n0.760217 0.239783 0.760217 O\n0.239783 0.239783 0.760217 O\n0.239783 0.760217 0.239783 O\n0.239783 0.760217 0.760217 O\n0.760217 0.239783 0.239783 O\n",
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"updated_at": "2021-11-28T01:37:13.249000Z",
"spacegroup": 189
},
{
"id": "mp-16867",
"created_at": "2022-09-04T14:39:25.388896Z",
"structure_string": "Yb2 Cu2 W4 O16\n1.0\n6.034567 0.000000 0.000000\n0.000000 5.062207 0.000000\n0.000000 4.490654 9.857229\nYb Cu W O\n2 2 4 16\ndirect\n0.344861 0.000000 0.250000 Yb\n0.655139 0.000000 0.750000 Yb\n0.716835 0.500000 0.250000 Cu\n0.283165 0.500000 0.750000 Cu\n0.167444 0.749324 0.995360 W\n0.832556 0.250676 0.004640 W\n0.167444 0.250676 0.504640 W\n0.832556 0.749324 0.495360 W\n0.338983 0.717027 0.858746 O\n0.338983 0.282973 0.641254 O\n0.661017 0.282973 0.141254 O\n0.661017 0.717027 0.358746 O\n0.908979 0.165133 0.393426 O\n0.908979 0.834867 0.106574 O\n0.091021 0.834867 0.606574 O\n0.091021 0.165133 0.893426 O\n0.620355 0.224927 0.892410 O\n0.620355 0.775073 0.607590 O\n0.379645 0.775073 0.107590 O\n0.379645 0.224927 0.392410 O\n0.112099 0.657156 0.398672 O\n0.112099 0.342844 0.101328 O\n0.887901 0.342844 0.601328 O\n0.887901 0.657156 0.898672 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Cu-O-W-Yb",
"density": 8.076147767135414,
"density_atomic": 0.07970221336712631,
"volume": 301.1208721325041,
"volume_molar": 7.555801157316255,
"formula_full": "Yb2 Cu2 W4 O16",
"formula_reduced": "YbCu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -196.95464868,
"energy_per_atom": -8.206443694999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -168.21064868,
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"updated_at": "2021-11-28T01:34:37.612000Z",
"spacegroup": 13
},
{
"id": "mp-1256",
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"structure_string": "Ho1 Ga2\n1.0\n2.102387 -3.641442 0.000000\n2.102387 3.641442 0.000000\n0.000000 0.000000 4.087411\nHo Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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"elements": [
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],
"chemical_system": "Ga-Ho",
"density": 8.075986698259134,
"density_atomic": 0.047935458996558544,
"volume": 62.584150914574124,
"volume_molar": 12.563018871754938,
"formula_full": "Ho1 Ga2",
"formula_reduced": "HoGa2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:29.467000Z",
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}
]
}