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{
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{
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"structure_string": "Na2 Nd2 Co2 W2 O12\n1.0\n5.609452 0.000000 0.000000\n0.000000 5.543292 0.000000\n0.000000 0.025172 7.955597\nNa Nd Co W O\n2 2 2 2 12\ndirect\n0.499775 0.745389 0.500095 Na\n0.999775 0.254611 0.499905 Na\n0.440495 0.758594 0.001062 Nd\n0.940495 0.241406 0.998938 Nd\n0.977926 0.749592 0.744162 Co\n0.477926 0.250408 0.255838 Co\n0.984922 0.744736 0.263220 W\n0.484922 0.255264 0.736780 W\n0.275577 0.563658 0.281056 O\n0.775577 0.436342 0.718944 O\n0.008743 0.662243 0.007048 O\n0.508743 0.337757 0.992952 O\n0.961926 0.829882 0.489482 O\n0.461926 0.170118 0.510518 O\n0.694547 0.977030 0.807734 O\n0.194547 0.022970 0.192266 O\n0.718031 0.957885 0.192122 O\n0.218031 0.042115 0.807878 O\n0.789660 0.465706 0.277662 O\n0.289660 0.534294 0.722338 O\n",
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"elements": [
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],
"chemical_system": "Co-Na-Nd-O-W",
"density": 6.793128240383168,
"density_atomic": 0.08084795292334127,
"volume": 247.37793941379914,
"volume_molar": 7.448723860343251,
"formula_full": "Na2 Nd2 Co2 W2 O12",
"formula_reduced": "NaNdCoWO6",
"formula_anonymous": "ABCDE6",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.18081821,
"band_gap": 2.4461,
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"updated_at": "2021-11-28T01:38:52.083000Z",
"spacegroup": 4
},
{
"id": "mp-1518805",
"created_at": "2022-09-04T14:48:21.903903Z",
"structure_string": "Nd1 Eu1 Hf1 Cr1 O6\n1.0\n0.000000 -4.003212 -4.003212\n4.003212 -0.000000 -4.003212\n4.003212 -4.003212 0.000000\nNd Eu Hf Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 -0.000000 Cr\n0.753910 0.246090 0.246090 O\n0.246090 0.753910 0.753910 O\n0.753910 0.246090 0.753910 O\n0.246090 0.753910 0.246090 O\n0.753910 0.753910 0.246090 O\n0.246090 0.246090 0.753910 O\n",
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"elements": [
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],
"chemical_system": "Cr-Eu-Hf-Nd-O",
"density": 8.058684945578795,
"density_atomic": 0.07793709872518853,
"volume": 128.30859967293208,
"volume_molar": 7.726924479488869,
"formula_full": "Nd1 Eu1 Hf1 Cr1 O6",
"formula_reduced": "NdEuHfCrO6",
"formula_anonymous": "ABCDE6",
"energy": -97.54061392,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:01.179000Z",
"spacegroup": 216
}
]
}