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{
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{
"id": "mp-8808",
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"structure_string": "Er4 Si10 Ru6\n1.0\n-2.792337 4.801091 6.072234\n2.792337 -4.801091 6.072234\n2.792337 4.801091 -6.072234\nEr Si Ru\n4 10 6\ndirect\n0.903684 0.135996 0.767688 Er\n0.096316 0.864004 0.232312 Er\n0.631691 0.364004 0.267688 Er\n0.368309 0.635996 0.732312 Er\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.707202 0.457202 0.750000 Si\n0.292798 0.042798 0.750000 Si\n0.292798 0.542798 0.250000 Si\n0.707202 0.957202 0.250000 Si\n0.234877 0.404901 0.829976 Si\n0.574924 0.904901 0.670024 Si\n0.425076 0.095099 0.329976 Si\n0.765123 0.595099 0.170024 Si\n0.761068 0.853436 0.907633 Ru\n0.500000 0.250000 0.750000 Ru\n0.945803 0.353436 0.592367 Ru\n0.054197 0.646564 0.407633 Ru\n0.238932 0.146564 0.092367 Ru\n0.500000 0.750000 0.250000 Ru\n",
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{
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"structure_string": "Er1 Al7 Fe5\n1.0\n-2.508446 4.317875 4.326593\n2.508446 -4.317875 4.326593\n2.508446 4.317875 -4.326593\nEr Al Fe\n1 7 5\ndirect\n0.004560 0.000000 0.004560 Er\n0.660291 0.000000 0.660291 Al\n0.338694 0.000000 0.338694 Al\n0.333900 0.342342 0.991558 Al\n0.649216 0.657658 0.991558 Al\n0.774609 0.500000 0.274609 Al\n0.794677 0.289938 0.504739 Al\n0.214801 0.710062 0.504739 Al\n0.499301 0.497775 0.495645 Fe\n0.499301 0.003656 0.001526 Fe\n0.997870 0.996344 0.495645 Fe\n0.997870 0.502225 0.001526 Fe\n0.234909 0.500000 0.734909 Fe\n",
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"formula_full": "Er1 Al7 Fe5",
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},
{
"id": "mp-973136",
"created_at": "2022-09-04T14:44:13.212702Z",
"structure_string": "Li1 Sm1 O3\n1.0\n3.734836 0.000000 0.000000\n0.000000 3.734836 0.000000\n0.000000 0.000000 3.734836\nLi Sm O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Li1 Sm1 O3",
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},
{
"id": "mp-1227059",
"created_at": "2022-09-04T14:44:13.226039Z",
"structure_string": "Ce1 Fe10 Re2\n1.0\n0.000000 0.000000 4.687286\n-4.357244 4.263505 2.343643\n-4.357244 -4.263505 -2.343643\nCe Fe Re\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.720360 0.779640 0.220360 Fe\n0.279640 0.220360 0.779640 Fe\n0.500000 0.768301 0.768301 Fe\n0.500000 0.231699 0.231699 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641293 0.358707 0.641293 Fe\n0.358707 0.641293 0.358707 Fe\n0.000000 0.358092 0.358092 Re\n0.000000 0.641908 0.641908 Re\n",
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],
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"formula_full": "Ce1 Fe10 Re2",
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},
{
"id": "mp-1111713",
"created_at": "2022-09-04T14:44:13.236331Z",
"structure_string": "Rb2 Tl1 Au1 Br6\n1.0\n0.000000 5.630632 5.630632\n5.630632 0.000000 5.630632\n5.630632 5.630632 0.000000\nRb Tl Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.757444 0.242556 0.242556 Br\n0.242556 0.242556 0.757444 Br\n0.242556 0.757444 0.757444 Br\n0.242556 0.757444 0.242556 Br\n0.757444 0.242556 0.757444 Br\n0.757444 0.757444 0.242556 Br\n",
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],
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"density": 4.89151571751047,
"density_atomic": 0.028009062444583066,
"volume": 357.02730213784764,
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"formula_full": "Rb2 Tl1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -29.99485318,
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"updated_at": "2021-11-28T01:36:26.431000Z",
"spacegroup": 225
},
{
"id": "mp-1177531",
"created_at": "2022-09-04T14:43:58.749317Z",
"structure_string": "Li24 V8 P16 O64\n1.0\n9.954267 0.000000 0.000000\n0.000000 8.637531 0.000000\n0.000000 6.972110 14.769511\nLi V P O\n24 8 16 64\ndirect\n0.401719 0.980877 0.444326 Li\n0.878066 0.619996 0.791296 Li\n0.617139 0.598102 0.718597 Li\n0.086332 0.264628 0.021065 Li\n0.102129 0.012636 0.255448 Li\n0.584350 0.249874 0.004295 Li\n0.084350 0.750126 0.495705 Li\n0.602129 0.987364 0.244552 Li\n0.586332 0.735372 0.478935 Li\n0.117139 0.401898 0.781403 Li\n0.378066 0.380004 0.708704 Li\n0.901719 0.019123 0.055674 Li\n0.098281 0.980877 0.944326 Li\n0.621934 0.619996 0.291296 Li\n0.882861 0.598102 0.218597 Li\n0.413668 0.264628 0.521065 Li\n0.397871 0.012636 0.755448 Li\n0.915650 0.249874 0.504295 Li\n0.415650 0.750126 0.995705 Li\n0.897871 0.987364 0.744552 Li\n0.913668 0.735372 0.978935 Li\n0.382861 0.401898 0.281403 Li\n0.121934 0.380004 0.208704 Li\n0.598281 0.019123 0.555674 Li\n0.851687 0.026298 0.385728 V\n0.379188 0.559721 0.859157 V\n0.879188 0.440279 0.640843 V\n0.351687 0.973702 0.114272 V\n0.648313 0.026298 0.885728 V\n0.120812 0.559721 0.359157 V\n0.620812 0.440279 0.140843 V\n0.148313 0.973702 0.614272 V\n0.847918 0.251350 0.163079 P\n0.366495 0.779025 0.635545 P\n0.845555 0.834368 0.597032 P\n0.336331 0.369483 0.087090 P\n0.836331 0.630517 0.412910 P\n0.345555 0.165632 0.902968 P\n0.866495 0.220975 0.864455 P\n0.347918 0.748650 0.336921 P\n0.652082 0.251350 0.663079 P\n0.133505 0.779025 0.135545 P\n0.654445 0.834368 0.097032 P\n0.163669 0.369483 0.587090 P\n0.663669 0.630517 0.912910 P\n0.154445 0.165632 0.402968 P\n0.633505 0.220975 0.364455 P\n0.152082 0.748650 0.836921 P\n0.057719 0.017148 0.416258 O\n0.584568 0.591535 0.841540 O\n0.764857 0.775310 0.685778 O\n0.186961 0.336526 0.110019 O\n0.358133 0.520872 0.992348 O\n0.922206 0.146106 0.256169 O\n0.749111 0.898432 0.513766 O\n0.647617 0.062908 0.342023 O\n0.160282 0.556319 0.850885 O\n0.399152 0.606891 0.720814 O\n0.919114 0.215852 0.090828 O\n0.694908 0.204149 0.166078 O\n0.480277 0.812788 0.566970 O\n0.222014 0.765938 0.600360 O\n0.930890 0.682210 0.598720 O\n0.406711 0.206044 0.090000 O\n0.906711 0.793956 0.410000 O\n0.430890 0.317790 0.901280 O\n0.722014 0.234062 0.899640 O\n0.194908 0.795851 0.333922 O\n0.980277 0.187212 0.933030 O\n0.419114 0.784148 0.409172 O\n0.899152 0.393109 0.779186 O\n0.660282 0.443681 0.649115 O\n0.147617 0.937092 0.157977 O\n0.249111 0.101568 0.986234 O\n0.422206 0.853894 0.243831 O\n0.686961 0.663474 0.389981 O\n0.858133 0.479128 0.507652 O\n0.264857 0.224690 0.814222 O\n0.557719 0.982852 0.083742 O\n0.084568 0.408465 0.658460 O\n0.915432 0.591535 0.341540 O\n0.442281 0.017148 0.916258 O\n0.735143 0.775310 0.185778 O\n0.141867 0.520872 0.492348 O\n0.313039 0.336526 0.610019 O\n0.577794 0.146106 0.756169 O\n0.750889 0.898432 0.013766 O\n0.852383 0.062908 0.842023 O\n0.339718 0.556319 0.350885 O\n0.100848 0.606891 0.220814 O\n0.580886 0.215852 0.590828 O\n0.019723 0.812788 0.066970 O\n0.805092 0.204149 0.666078 O\n0.277986 0.765938 0.100360 O\n0.569110 0.682210 0.098720 O\n0.093289 0.206044 0.590000 O\n0.593289 0.793956 0.910000 O\n0.069110 0.317790 0.401280 O\n0.777986 0.234062 0.399640 O\n0.519723 0.187212 0.433030 O\n0.305092 0.795851 0.833922 O\n0.080886 0.784148 0.909172 O\n0.600848 0.393109 0.279186 O\n0.839718 0.443681 0.149115 O\n0.352383 0.937092 0.657977 O\n0.250889 0.101568 0.486234 O\n0.077794 0.853894 0.743831 O\n0.641867 0.479128 0.007652 O\n0.813039 0.663474 0.889981 O\n0.235143 0.224690 0.314222 O\n0.415432 0.408465 0.158460 O\n0.942281 0.982852 0.583742 O\n",
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{
"id": "mp-1185852",
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"structure_string": "Mg1 Au5\n1.0\n2.544422 -4.407068 0.000000\n2.544422 4.407068 0.000000\n0.000000 0.000000 4.826788\nMg Au\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.500000 Au\n0.000000 0.671194 0.000000 Au\n0.671194 0.000000 0.000000 Au\n0.328806 0.328806 0.000000 Au\n0.666667 0.333333 0.500000 Au\n",
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{
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{
"id": "mp-1221304",
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}