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{
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{
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{
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{
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"structure_string": "Nd1 Ag2 Ge2\n1.0\n-2.157106 2.157106 5.591377\n2.157106 -2.157106 5.591377\n2.157106 2.157106 -5.591377\nNd Ag Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.609919 0.609919 0.000000 Ge\n0.390081 0.390081 0.000000 Ge\n",
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{
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{
"id": "mp-1184723",
"created_at": "2022-09-04T14:45:42.469635Z",
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{
"id": "mp-643790",
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"structure_string": "Ce4 Ni4 Sn4 H4\n1.0\n4.373119 0.000000 0.000000\n0.000000 7.227182 0.000000\n0.000000 0.000000 8.303748\nCe Ni Sn H\n4 4 4 4\ndirect\n0.750000 0.510463 0.808109 Ce\n0.250000 0.489537 0.191891 Ce\n0.250000 0.989537 0.308109 Ce\n0.750000 0.010463 0.691891 Ce\n0.750000 0.283740 0.397479 Ni\n0.250000 0.716260 0.602521 Ni\n0.250000 0.216260 0.897479 Ni\n0.750000 0.783740 0.102521 Ni\n0.750000 0.168670 0.072662 Sn\n0.250000 0.831330 0.927338 Sn\n0.250000 0.331330 0.572662 Sn\n0.750000 0.668670 0.427338 Sn\n0.250000 0.941799 0.580743 H\n0.750000 0.058201 0.419257 H\n0.750000 0.558201 0.080743 H\n0.250000 0.441799 0.919257 H\n",
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{
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"structure_string": "Tb2 Fe17 C1 N1\n1.0\n6.443746 0.000000 0.000000\n0.787996 6.425044 0.000000\n0.742531 0.629004 6.434174\nTb Fe C N\n2 17 1 1\ndirect\n0.661253 0.652931 0.660244 Tb\n0.338747 0.347069 0.339756 Tb\n0.713448 0.001866 0.284889 Fe\n0.000442 0.282940 0.717030 Fe\n0.291661 0.710111 0.998397 Fe\n0.999558 0.717060 0.282970 Fe\n0.708339 0.289889 0.001603 Fe\n0.286552 0.998134 0.715111 Fe\n0.904137 0.904729 0.904679 Fe\n0.095863 0.095271 0.095321 Fe\n0.345044 0.852627 0.340573 Fe\n0.850720 0.343421 0.340795 Fe\n0.344205 0.342669 0.852407 Fe\n0.654956 0.147373 0.659427 Fe\n0.149280 0.656579 0.659205 Fe\n0.655795 0.657331 0.147593 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 N\n",
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{
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"structure_string": "Ce12 Al12 Pd8 Pt4\n1.0\n0.000000 -4.444347 0.000000\n-7.211220 0.000000 -0.027491\n-0.088186 0.000000 -23.374864\nCe Al Pd Pt\n12 12 8 4\ndirect\n0.750000 0.469533 0.060266 Ce\n0.750000 0.468448 0.393280 Ce\n0.750000 0.469172 0.726636 Ce\n0.750000 0.968564 0.106696 Ce\n0.750000 0.966892 0.440012 Ce\n0.750000 0.967722 0.773755 Ce\n0.250000 0.528040 0.274361 Ce\n0.250000 0.527633 0.607726 Ce\n0.250000 0.527457 0.940881 Ce\n0.250000 0.028584 0.226034 Ce\n0.250000 0.032221 0.559563 Ce\n0.250000 0.031877 0.892603 Ce\n0.750000 0.352392 0.190395 Al\n0.750000 0.349922 0.523153 Al\n0.750000 0.349479 0.856412 Al\n0.750000 0.852649 0.309609 Al\n0.750000 0.854369 0.643598 Al\n0.750000 0.854287 0.976543 Al\n0.250000 0.649151 0.144911 Al\n0.250000 0.647477 0.477758 Al\n0.250000 0.648390 0.810988 Al\n0.250000 0.149723 0.021944 Al\n0.250000 0.149169 0.355245 Al\n0.250000 0.149188 0.688975 Al\n0.750000 0.713255 0.537005 Pd\n0.750000 0.713319 0.870224 Pd\n0.250000 0.785043 0.037007 Pd\n0.250000 0.784720 0.370280 Pd\n0.250000 0.785318 0.703758 Pd\n0.250000 0.285462 0.129458 Pd\n0.250000 0.285341 0.462646 Pd\n0.250000 0.285274 0.795992 Pd\n0.750000 0.216838 0.296412 Pt\n0.750000 0.218210 0.629437 Pt\n0.750000 0.218529 0.962536 Pt\n0.750000 0.716355 0.203902 Pt\n",
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{
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"structure_string": "Tb4 Ga6 Fe1 Ge6\n1.0\n-4.301689 4.301689 4.301689\n4.301689 -4.301689 4.301689\n4.301689 4.301689 -4.301689\nTb Ga Fe Ge\n4 6 1 6\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.750000 0.500000 0.250000 Ga\n0.500000 0.750000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.250000 0.500000 0.750000 Ga\n0.500000 0.250000 0.750000 Ga\n0.000000 0.000000 0.000000 Fe\n0.287888 0.287888 0.000000 Ge\n0.000000 0.287888 0.287888 Ge\n0.000000 0.712112 0.712112 Ge\n0.712112 0.712112 0.000000 Ge\n0.287888 0.000000 0.287888 Ge\n0.712112 0.000000 0.712112 Ge\n",
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{
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"structure_string": "Li1 Al4 Tl4 O12\n1.0\n5.279183 -0.019990 0.022768\n-0.019190 5.468332 0.219294\n0.029554 0.298637 8.035358\nLi Al Tl O\n1 4 4 12\ndirect\n0.978320 0.179716 0.407044 Li\n0.991796 0.479426 0.973011 Al\n0.997019 0.559991 0.515830 Al\n0.510443 0.994778 0.985178 Al\n0.503234 0.015392 0.506538 Al\n0.010070 0.988578 0.751806 Tl\n0.492132 0.467962 0.729886 Tl\n0.495355 0.454293 0.232005 Tl\n0.010051 0.905240 0.192311 Tl\n0.077196 0.503559 0.282778 O\n0.212573 0.237877 0.565612 O\n0.285598 0.283066 0.952107 O\n0.220451 0.775047 0.962160 O\n0.293161 0.740656 0.563047 O\n0.405479 0.023095 0.262443 O\n0.591876 0.019698 0.753947 O\n0.790886 0.203898 0.041087 O\n0.693567 0.338037 0.480041 O\n0.717480 0.704683 0.039792 O\n0.816323 0.855077 0.462447 O\n0.906988 0.532432 0.749260 O\n",
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"volume_molar": 6.6419789714138595,
"formula_full": "Li1 Al4 Tl4 O12",
"formula_reduced": "LiAl4Tl4O12",
"formula_anonymous": "AB4C4D12",
"energy": -129.47993522000002,
"energy_per_atom": -6.165711200952382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.23593522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.031000Z",
"spacegroup": 1
}
]
}