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{
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{
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"structure_string": "Al4 H12 C15 O31\n1.0\n-5.786506 5.786506 5.786506\n5.786506 -5.786506 5.786506\n5.786506 5.786506 -5.786506\nAl H C O\n4 12 15 31\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.789201 0.669424 0.458624 H\n0.789201 0.330576 0.119777 H\n0.210799 0.669424 0.880223 H\n0.210799 0.330576 0.541376 H\n0.669424 0.458624 0.789201 H\n0.330576 0.119777 0.789201 H\n0.669424 0.880223 0.210799 H\n0.330576 0.541376 0.210799 H\n0.458624 0.789201 0.669424 H\n0.119777 0.789201 0.330576 H\n0.880223 0.210799 0.669424 H\n0.541376 0.210799 0.330576 H\n0.741116 0.751513 0.492629 C\n0.741116 0.248487 0.989603 C\n0.258884 0.751513 0.010397 C\n0.258884 0.248487 0.507371 C\n0.751513 0.492629 0.741116 C\n0.248487 0.989603 0.741116 C\n0.751513 0.010397 0.258884 C\n0.248487 0.507371 0.258884 C\n0.492629 0.741116 0.751513 C\n0.989603 0.741116 0.248487 C\n0.010397 0.258884 0.751513 C\n0.507371 0.258884 0.248487 C\n0.500000 0.500000 0.000000 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n0.809860 0.893405 0.511582 O\n0.618177 0.106595 0.916455 O\n0.190140 0.701722 0.083545 O\n0.381823 0.298278 0.488418 O\n0.893405 0.511582 0.809860 O\n0.106595 0.916455 0.618177 O\n0.701722 0.083545 0.190140 O\n0.298278 0.488418 0.381823 O\n0.511582 0.809860 0.893405 O\n0.916455 0.618177 0.106595 O\n0.083545 0.190140 0.701722 O\n0.488418 0.381823 0.298278 O\n0.190140 0.106595 0.488418 O\n0.381823 0.893405 0.083545 O\n0.809860 0.298278 0.916455 O\n0.618177 0.701722 0.511582 O\n0.106595 0.488418 0.190140 O\n0.893405 0.083545 0.381823 O\n0.298278 0.916455 0.809860 O\n0.701722 0.511582 0.618177 O\n0.488418 0.190140 0.106595 O\n0.083545 0.381823 0.893405 O\n0.916455 0.809860 0.298278 O\n0.511582 0.618177 0.701722 O\n0.500000 0.601540 0.101540 O\n0.500000 0.398460 0.898460 O\n0.601540 0.101540 0.500000 O\n0.398460 0.898460 0.500000 O\n0.101540 0.500000 0.601540 O\n0.898460 0.500000 0.398460 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Al4 H12 C15 O31",
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{
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"structure_string": "Mn2 Fe1 Se3\n1.0\n1.762875 -3.053388 0.000000\n1.762875 3.053388 0.000000\n0.000000 0.000000 8.564523\nMn Fe Se\n2 1 3\ndirect\n0.333333 0.666667 0.666784 Mn\n0.666667 0.333333 0.333216 Mn\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.160598 Se\n0.666667 0.333333 0.839402 Se\n0.000000 0.000000 0.500000 Se\n",
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"structure_string": "Eu2 Ni10 P6\n1.0\n1.798754 -5.848522 0.000000\n1.798754 5.848522 0.000000\n0.000000 0.000000 11.498972\nEu Ni P\n2 10 6\ndirect\n0.161534 0.838466 0.250000 Eu\n0.838466 0.161534 0.750000 Eu\n0.448723 0.551277 0.144910 Ni\n0.448723 0.551277 0.355090 Ni\n0.198331 0.801669 0.931883 Ni\n0.551277 0.448723 0.855090 Ni\n0.801669 0.198331 0.431883 Ni\n0.551277 0.448723 0.644910 Ni\n0.198331 0.801669 0.568117 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.801669 0.198331 0.068117 Ni\n0.116744 0.883256 0.750000 P\n0.381859 0.618141 0.959413 P\n0.381859 0.618141 0.540587 P\n0.618141 0.381859 0.459413 P\n0.618141 0.381859 0.040587 P\n0.883256 0.116744 0.250000 P\n",
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{
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{
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"formula_full": "Mn1 Co1 H18 C6 N12",
"formula_reduced": "MnCoH18(CN2)6",
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{
"id": "mp-23894",
"created_at": "2022-09-04T14:40:19.282537Z",
"structure_string": "Li4 As4 H8 O16\n1.0\n6.590291 0.000000 0.000000\n0.000000 7.363206 0.000000\n0.000000 0.000000 7.845648\nLi As H O\n4 4 8 16\ndirect\n0.518912 0.006770 0.788404 Li\n0.018912 0.006770 0.711596 Li\n0.981088 0.506770 0.288404 Li\n0.481088 0.506770 0.211596 Li\n0.196527 0.833624 0.080718 As\n0.803473 0.333624 0.919282 As\n0.303473 0.333624 0.580718 As\n0.696527 0.833624 0.419282 As\n0.018790 0.677932 0.864645 H\n0.981210 0.177932 0.135355 H\n0.481210 0.177932 0.364645 H\n0.518790 0.677932 0.635355 H\n0.990123 0.450928 0.628847 H\n0.009877 0.950928 0.371153 H\n0.490123 0.450928 0.871153 H\n0.509877 0.950928 0.128847 H\n0.217783 0.636347 0.187970 O\n0.425736 0.499153 0.691203 O\n0.562563 0.413025 0.983529 O\n0.437437 0.913025 0.016471 O\n0.574264 0.999153 0.308797 O\n0.937437 0.913025 0.483529 O\n0.925736 0.499153 0.808797 O\n0.074264 0.999153 0.191203 O\n0.581462 0.806351 0.619721 O\n0.081462 0.806351 0.880279 O\n0.918538 0.306351 0.119721 O\n0.418538 0.306351 0.380279 O\n0.282217 0.136347 0.687970 O\n0.717783 0.636347 0.312030 O\n0.062563 0.413025 0.516471 O\n0.782217 0.136347 0.812030 O\n",
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"elements": [
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],
"chemical_system": "As-H-Li-O",
"density": 2.579922477994542,
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"formula_full": "Li4 As4 H8 O16",
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"updated_at": "2021-11-28T01:34:54.618000Z",
"spacegroup": 33
},
{
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"created_at": "2022-09-04T14:40:19.288326Z",
"structure_string": "Mg14 Cd1 Si1\n1.0\n6.271688 0.000000 -0.000000\n-3.135844 5.431441 -0.000000\n-0.000000 -0.000000 10.343581\nMg Cd Si\n14 1 1\ndirect\n0.165645 0.832822 0.125000 Mg\n0.166897 0.833448 0.625000 Mg\n0.667178 0.334355 0.125000 Mg\n0.666552 0.333103 0.625000 Mg\n0.667178 0.832822 0.125000 Mg\n0.666552 0.833448 0.625000 Mg\n0.331975 0.168025 0.373825 Mg\n0.331975 0.168025 0.876175 Mg\n0.331975 0.663952 0.373825 Mg\n0.331975 0.663952 0.876175 Mg\n0.836048 0.168025 0.373825 Mg\n0.836048 0.168025 0.876175 Mg\n0.833333 0.666667 0.376204 Mg\n0.833333 0.666667 0.873796 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Si\n",
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-Mg-Si",
"density": 2.26575456913435,
"density_atomic": 0.04540979605743919,
"volume": 352.34688083076793,
"volume_molar": 13.26176570443644,
"formula_full": "Mg14 Cd1 Si1",
"formula_reduced": "Mg14CdSi",
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"updated_at": "2021-11-28T01:35:02.993000Z",
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{
"id": "mp-1094641",
"created_at": "2022-09-04T14:40:19.291161Z",
"structure_string": "Mg2 Ga4\n1.0\n1.520148 -2.632973 0.000000\n1.520148 2.632973 0.000000\n0.000000 0.000000 14.793525\nMg Ga\n2 4\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.666667 0.333333 0.917433 Ga\n0.666667 0.333333 0.582567 Ga\n0.333333 0.666667 0.417433 Ga\n0.333333 0.666667 0.082567 Ga\n",
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]
}