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{
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{
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{
"id": "mp-694948",
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"structure_string": "Ti16 Fe16 O48\n1.0\n4.613921 0.059191 3.174785\n1.717807 4.300027 3.207576\n0.107000 0.330239 44.209858\nTi Fe O\n16 16 48\ndirect\n0.365667 0.367720 0.041575 Ti\n0.344863 0.371780 0.167737 Ti\n0.134030 0.143305 0.268939 Ti\n0.850587 0.868379 0.106180 Ti\n0.145044 0.144382 0.392886 Ti\n0.859521 0.853560 0.231345 Ti\n0.143015 0.143489 0.518662 Ti\n0.853928 0.852711 0.357106 Ti\n0.140639 0.142082 0.643592 Ti\n0.855552 0.855931 0.481727 Ti\n0.143941 0.146311 0.767975 Ti\n0.851217 0.856598 0.607322 Ti\n0.153587 0.140471 0.892552 Ti\n0.853835 0.854727 0.731758 Ti\n0.857150 0.850478 0.856929 Ti\n0.839773 0.881833 0.980369 Ti\n0.145802 0.144062 0.018245 Fe\n0.148480 0.148930 0.141470 Fe\n0.649794 0.647086 0.080101 Fe\n0.348871 0.348437 0.293718 Fe\n0.646274 0.636202 0.206106 Fe\n0.352168 0.355416 0.419533 Fe\n0.646947 0.646166 0.330155 Fe\n0.349548 0.361817 0.544308 Fe\n0.646651 0.641161 0.455990 Fe\n0.349236 0.352286 0.668408 Fe\n0.645046 0.641362 0.581402 Fe\n0.347348 0.362856 0.794101 Fe\n0.648811 0.641583 0.705846 Fe\n0.357568 0.355539 0.919345 Fe\n0.648566 0.639542 0.830783 Fe\n0.640517 0.650953 0.956057 Fe\n0.083054 0.707253 0.059180 O\n0.466406 0.073312 0.089835 O\n0.720866 0.453256 0.009970 O\n0.211590 0.569649 0.121968 O\n0.576799 0.966327 0.028049 O\n0.068552 0.720995 0.182595 O\n0.954633 0.208903 0.073783 O\n0.430808 0.074291 0.219163 O\n0.701161 0.452891 0.136389 O\n0.215926 0.560313 0.245218 O\n0.577749 0.952774 0.153551 O\n0.059003 0.775954 0.303342 O\n0.960693 0.203096 0.197389 O\n0.440711 0.057344 0.346168 O\n0.763511 0.436735 0.257655 O\n0.219261 0.559395 0.369891 O\n0.561386 0.948858 0.277779 O\n0.049894 0.786833 0.428613 O\n0.960100 0.211603 0.320201 O\n0.436399 0.056115 0.471660 O\n0.780936 0.445181 0.379353 O\n0.218175 0.560709 0.494369 O\n0.564556 0.944523 0.403091 O\n0.051374 0.782494 0.553835 O\n0.951732 0.214858 0.445588 O\n0.438512 0.051770 0.597248 O\n0.780340 0.442262 0.504934 O\n0.216504 0.561980 0.619606 O\n0.561909 0.945414 0.528569 O\n0.058649 0.776996 0.678549 O\n0.953530 0.214352 0.570589 O\n0.440270 0.058137 0.721004 O\n0.772772 0.441065 0.630928 O\n0.218657 0.562985 0.743820 O\n0.561138 0.955906 0.653161 O\n0.056262 0.781436 0.802860 O\n0.955732 0.216412 0.695795 O\n0.440593 0.047587 0.846787 O\n0.779567 0.441792 0.755335 O\n0.222103 0.555039 0.870067 O\n0.564996 0.948129 0.778190 O\n0.061454 0.780111 0.929633 O\n0.953601 0.211713 0.820357 O\n0.471198 0.047405 0.967570 O\n0.788769 0.439245 0.879053 O\n0.204459 0.572290 0.996849 O\n0.565712 0.946746 0.902158 O\n0.944023 0.230412 0.946085 O\n",
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{
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"structure_string": "La2 Mn2 O6\n1.0\n4.781826 0.022250 2.795653\n1.626293 4.624203 2.776635\n-0.022203 -0.041040 5.633437\nLa Mn O\n2 2 6\ndirect\n0.750000 0.756630 0.743370 La\n0.250000 0.243370 0.256630 La\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.241383 0.666879 0.271609 O\n0.258617 0.228391 0.833121 O\n0.758617 0.333121 0.728391 O\n0.741383 0.771609 0.166879 O\n0.250000 0.818876 0.681124 O\n0.750000 0.181124 0.318876 O\n",
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{
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{
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{
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"structure_string": "Li12 Mn12 F36\n1.0\n7.165301 0.000000 0.000000\n0.000000 7.242488 0.000000\n0.000000 1.597515 15.481918\nLi Mn F\n12 12 36\ndirect\n0.614338 0.245390 0.083930 Li\n0.135128 0.240639 0.086175 Li\n0.873382 0.450200 0.204872 Li\n0.373382 0.549800 0.295128 Li\n0.635128 0.759361 0.413825 Li\n0.114338 0.754610 0.416070 Li\n0.885662 0.245390 0.583930 Li\n0.364872 0.240639 0.586175 Li\n0.626618 0.450200 0.704872 Li\n0.126618 0.549800 0.795128 Li\n0.864872 0.759361 0.913825 Li\n0.385662 0.754610 0.916070 Li\n0.123847 0.744874 0.114320 Mn\n0.631657 0.751720 0.106761 Mn\n0.374182 0.040962 0.230822 Mn\n0.874182 0.959038 0.269178 Mn\n0.131657 0.248280 0.393239 Mn\n0.623847 0.255126 0.385680 Mn\n0.376153 0.744874 0.614320 Mn\n0.868343 0.751720 0.606761 Mn\n0.125818 0.040962 0.730822 Mn\n0.625818 0.959038 0.769178 Mn\n0.368343 0.248280 0.893239 Mn\n0.876153 0.255126 0.885680 Mn\n0.887434 0.787397 0.032216 F\n0.369614 0.767375 0.036339 F\n0.375939 0.184004 0.108168 F\n0.675115 0.011788 0.159585 F\n0.666602 0.467927 0.128424 F\n0.081667 0.011063 0.165930 F\n0.084450 0.460630 0.132554 F\n0.875386 0.707307 0.210893 F\n0.376083 0.749844 0.206576 F\n0.876083 0.250156 0.293424 F\n0.375386 0.292693 0.289107 F\n0.584450 0.539370 0.367446 F\n0.581667 0.988937 0.334070 F\n0.166602 0.532073 0.371576 F\n0.175115 0.988212 0.340415 F\n0.875939 0.815996 0.391832 F\n0.869614 0.232625 0.463661 F\n0.387434 0.212603 0.467784 F\n0.612566 0.787397 0.532216 F\n0.130386 0.767375 0.536339 F\n0.124061 0.184004 0.608168 F\n0.824885 0.011788 0.659585 F\n0.833398 0.467927 0.628424 F\n0.418333 0.011063 0.665930 F\n0.415550 0.460630 0.632554 F\n0.624614 0.707307 0.710893 F\n0.123917 0.749844 0.706576 F\n0.623917 0.250156 0.793424 F\n0.124614 0.292693 0.789107 F\n0.915550 0.539370 0.867446 F\n0.918333 0.988937 0.834070 F\n0.333398 0.532073 0.871576 F\n0.324885 0.988212 0.840415 F\n0.624061 0.815996 0.891832 F\n0.630386 0.232625 0.963661 F\n0.112566 0.212603 0.967784 F\n",
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"elements": [
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],
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"density": 2.948296548887614,
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"volume": 803.4280426128704,
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"formula_full": "Li12 Mn12 F36",
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"updated_at": "2021-11-28T01:36:09.754000Z",
"spacegroup": 14
},
{
"id": "mp-1219024",
"created_at": "2022-09-04T14:43:17.743407Z",
"structure_string": "Sm1 Ga3 Pd1\n1.0\n-2.101259 2.101259 5.430039\n2.101259 -2.101259 5.430039\n2.101259 2.101259 -5.430039\nSm Ga Pd\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.613920 0.613920 0.000000 Ga\n0.386080 0.386080 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Pd\n",
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"elements": [
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"Ga",
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],
"chemical_system": "Ga-Pd-Sm",
"density": 8.06799031355888,
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"volume": 95.9007742291034,
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"formula_full": "Sm1 Ga3 Pd1",
"formula_reduced": "SmGa3Pd",
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"total_magnetization": 1.1e-05,
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"updated_at": "2021-11-28T01:36:12.213000Z",
"spacegroup": 119
},
{
"id": "mp-754770",
"created_at": "2022-09-04T14:43:15.499407Z",
"structure_string": "Li4 Mn4 F12\n1.0\n10.224994 0.000000 0.000000\n0.000000 3.803119 0.000000\n0.000000 0.324377 6.937676\nLi Mn F\n4 4 12\ndirect\n0.544647 0.727922 0.791825 Li\n0.955353 0.727922 0.291825 Li\n0.044647 0.272078 0.708175 Li\n0.455353 0.272078 0.208175 Li\n0.220679 0.751760 0.980061 Mn\n0.279321 0.751760 0.480061 Mn\n0.720679 0.248240 0.519939 Mn\n0.779321 0.248240 0.019939 Mn\n0.107955 0.780927 0.658318 F\n0.392045 0.780927 0.158318 F\n0.364651 0.710353 0.762759 F\n0.644106 0.746835 0.556385 F\n0.135349 0.710353 0.262759 F\n0.855894 0.746835 0.056385 F\n0.144106 0.253165 0.943615 F\n0.864651 0.289647 0.737241 F\n0.355894 0.253165 0.443615 F\n0.635349 0.289647 0.237241 F\n0.607955 0.219073 0.841682 F\n0.892045 0.219073 0.341682 F\n",
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"elements": [
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],
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"volume": 269.7844974731704,
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"formula_full": "Li4 Mn4 F12",
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{
"id": "mp-22087",
"created_at": "2022-09-04T14:43:17.916594Z",
"structure_string": "Ta1 Ru3 C1\n1.0\n4.055608 0.000000 0.000000\n0.000000 4.055608 0.000000\n0.000000 0.000000 4.055608\nTa Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n",
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],
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}
]
}