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{
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"structure_string": "Na8 Mo4 H32 O48\n1.0\n8.734899 0.000000 0.000000\n0.000000 9.170085 0.000000\n0.000000 0.809186 12.536182\nNa Mo H O\n8 4 32 48\ndirect\n0.848343 0.810187 0.515937 Na\n0.348343 0.189813 0.984063 Na\n0.151657 0.189813 0.484063 Na\n0.651657 0.810187 0.015937 Na\n0.814051 0.667227 0.782066 Na\n0.314051 0.332773 0.717934 Na\n0.185949 0.332773 0.217934 Na\n0.685949 0.667227 0.282066 Na\n0.231248 0.762389 0.627372 Mo\n0.731248 0.237611 0.872628 Mo\n0.768752 0.237611 0.372628 Mo\n0.268752 0.762389 0.127372 Mo\n0.722252 0.985304 0.200615 H\n0.222252 0.014696 0.299385 H\n0.277748 0.014696 0.799385 H\n0.777748 0.985304 0.700615 H\n0.865133 0.889592 0.175911 H\n0.365133 0.110408 0.324089 H\n0.134867 0.110408 0.824089 H\n0.634867 0.889592 0.675911 H\n0.511883 0.782391 0.459681 H\n0.011883 0.217609 0.040319 H\n0.488117 0.217609 0.540319 H\n0.988117 0.782391 0.959681 H\n0.586169 0.919652 0.395042 H\n0.086169 0.080348 0.104958 H\n0.413831 0.080348 0.604958 H\n0.913831 0.919652 0.895042 H\n0.949041 0.560814 0.379107 H\n0.449041 0.439186 0.120893 H\n0.050959 0.439186 0.620893 H\n0.550959 0.560814 0.879107 H\n0.015429 0.711802 0.329736 H\n0.515429 0.288198 0.170264 H\n0.984571 0.288198 0.670264 H\n0.484571 0.711802 0.829736 H\n0.708209 0.502224 0.573834 H\n0.208209 0.497776 0.926166 H\n0.291791 0.497776 0.426166 H\n0.791791 0.502224 0.073834 H\n0.592923 0.605141 0.621630 H\n0.092923 0.394859 0.878370 H\n0.407077 0.394859 0.378370 H\n0.907077 0.605141 0.121630 H\n0.421196 0.882344 0.653009 O\n0.921196 0.117656 0.846991 O\n0.578804 0.117656 0.346991 O\n0.078804 0.882344 0.153009 O\n0.344114 0.836294 0.754539 O\n0.844114 0.163706 0.745461 O\n0.655886 0.163706 0.245461 O\n0.155886 0.836294 0.254539 O\n0.046377 0.635918 0.613277 O\n0.546377 0.364082 0.886723 O\n0.953623 0.364082 0.386723 O\n0.453623 0.635918 0.113277 O\n0.080945 0.663184 0.726247 O\n0.580945 0.336816 0.773753 O\n0.919055 0.336816 0.273753 O\n0.419055 0.663184 0.226247 O\n0.344154 0.650493 0.519571 O\n0.844154 0.349507 0.980429 O\n0.655846 0.349507 0.480429 O\n0.155846 0.650493 0.019571 O\n0.371163 0.587361 0.629450 O\n0.871163 0.412639 0.870550 O\n0.628837 0.412639 0.370550 O\n0.128837 0.587361 0.129450 O\n0.108491 0.942858 0.614112 O\n0.608491 0.057142 0.885888 O\n0.891509 0.057142 0.385888 O\n0.391509 0.942858 0.114112 O\n0.160304 0.897711 0.508332 O\n0.660304 0.102289 0.991668 O\n0.839696 0.102289 0.491668 O\n0.339696 0.897711 0.008332 O\n0.752912 0.886663 0.181981 O\n0.252912 0.113337 0.318019 O\n0.247088 0.113337 0.818019 O\n0.747088 0.886663 0.681981 O\n0.604859 0.817950 0.422904 O\n0.104859 0.182050 0.077096 O\n0.395141 0.182050 0.577096 O\n0.895141 0.817950 0.922904 O\n0.928574 0.667064 0.369819 O\n0.428574 0.332936 0.130181 O\n0.071426 0.332936 0.630181 O\n0.571426 0.667064 0.869819 O\n0.703676 0.592778 0.611697 O\n0.203676 0.407222 0.888303 O\n0.296324 0.407222 0.388303 O\n0.796324 0.592778 0.111697 O\n",
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"elements": [
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"H",
"O"
],
"chemical_system": "H-Mo-Na-O",
"density": 2.2620802074197695,
"density_atomic": 0.0916202114605165,
"volume": 1004.1452484493245,
"volume_molar": 6.572939162659787,
"formula_full": "Na8 Mo4 H32 O48",
"formula_reduced": "Na2Mo(H2O3)4",
"formula_anonymous": "AB2C8D12",
"energy": -520.32450041,
"energy_per_atom": -5.655701091413044,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -474.54050041,
"band_gap": 1.9423,
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"is_magnetic": false,
"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:37:36.362000Z",
"spacegroup": 14
},
{
"id": "mp-1245787",
"created_at": "2022-09-04T14:46:32.686053Z",
"structure_string": "Mn1 Ni2 N2\n1.0\n2.743785 0.000396 -0.000426\n-1.371550 2.376263 -0.000182\n0.001534 0.000368 6.790889\nMn Ni N\n1 2 2\ndirect\n0.999999 0.999996 0.499995 Mn\n0.666702 0.333325 0.151877 Ni\n0.333299 0.666678 0.848120 Ni\n0.666704 0.333275 0.680234 N\n0.333296 0.666727 0.319773 N\n",
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"elements": [
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],
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"density_atomic": 0.11291784817749594,
"volume": 44.27997947800496,
"volume_molar": 5.333205385329145,
"formula_full": "Mn1 Ni2 N2",
"formula_reduced": "Mn(NiN)2",
"formula_anonymous": "AB2C2",
"energy": -36.81815862,
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"updated_at": "2021-11-28T01:37:33.181000Z",
"spacegroup": 164
},
{
"id": "mp-1225749",
"created_at": "2022-09-04T14:46:32.700220Z",
"structure_string": "Cu1 Ni1 O2\n1.0\n4.957946 -1.492944 0.000000\n4.957946 1.492944 0.000000\n4.508388 0.000000 2.546476\nCu Ni O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n0.253252 0.253252 0.253252 O\n0.746748 0.746748 0.746748 O\n",
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],
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"volume": 37.697703395376045,
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"formula_full": "Cu1 Ni1 O2",
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}
]
}