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{
"id": "mp-1204618",
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"structure_string": "K4 Mo30 Se38\n1.0\n-4.950714 -8.574889 0.000000\n4.950714 -8.574889 0.000000\n0.000000 -5.716593 19.555934\nK Mo Se\n4 30 38\ndirect\n0.614764 0.614764 0.155707 K\n0.114764 0.114764 0.655707 K\n0.385236 0.385236 0.844293 K\n0.885236 0.885236 0.344293 K\n0.497745 0.686227 0.441679 Mo\n0.686227 0.374349 0.441679 Mo\n0.374349 0.497745 0.441679 Mo\n0.997745 0.874349 0.941679 Mo\n0.874349 0.186227 0.941679 Mo\n0.186227 0.997745 0.941679 Mo\n0.502255 0.313773 0.558321 Mo\n0.313773 0.625651 0.558321 Mo\n0.625651 0.502255 0.558321 Mo\n0.002255 0.125651 0.058321 Mo\n0.125651 0.813773 0.058321 Mo\n0.813773 0.002255 0.058321 Mo\n0.722643 0.859797 0.867659 Mo\n0.859797 0.549901 0.867659 Mo\n0.549901 0.722643 0.867659 Mo\n0.222643 0.049901 0.367659 Mo\n0.049901 0.359797 0.367659 Mo\n0.359797 0.222643 0.367659 Mo\n0.277357 0.140203 0.132341 Mo\n0.140203 0.450099 0.132341 Mo\n0.450099 0.277357 0.132341 Mo\n0.777357 0.950099 0.632341 Mo\n0.950099 0.640203 0.632341 Mo\n0.640203 0.777357 0.632341 Mo\n0.592635 0.907365 0.750000 Mo\n0.907365 0.750000 0.750000 Mo\n0.750000 0.592635 0.750000 Mo\n0.092635 0.250000 0.250000 Mo\n0.250000 0.407365 0.250000 Mo\n0.407365 0.092635 0.250000 Mo\n0.800899 0.554804 0.450106 Se\n0.554804 0.194192 0.450106 Se\n0.194192 0.800899 0.450106 Se\n0.300899 0.694192 0.950106 Se\n0.694192 0.054804 0.950106 Se\n0.054804 0.300899 0.950106 Se\n0.199101 0.445196 0.549894 Se\n0.445196 0.805808 0.549894 Se\n0.805808 0.199101 0.549894 Se\n0.699101 0.305808 0.049894 Se\n0.305808 0.945196 0.049894 Se\n0.945196 0.699101 0.049894 Se\n0.422311 0.030855 0.857330 Se\n0.030855 0.689504 0.857330 Se\n0.689504 0.422311 0.857330 Se\n0.922311 0.189504 0.357330 Se\n0.189504 0.530855 0.357330 Se\n0.530855 0.922311 0.357330 Se\n0.577689 0.969145 0.142670 Se\n0.969145 0.310496 0.142670 Se\n0.310496 0.577689 0.142670 Se\n0.077689 0.810496 0.642670 Se\n0.810496 0.469145 0.642670 Se\n0.469145 0.077689 0.642670 Se\n0.053855 0.446145 0.750000 Se\n0.446145 0.750000 0.750000 Se\n0.750000 0.053855 0.750000 Se\n0.553855 0.250000 0.250000 Se\n0.250000 0.946145 0.250000 Se\n0.946145 0.553855 0.250000 Se\n0.554124 0.554124 0.337628 Se\n0.054124 0.054124 0.837628 Se\n0.445876 0.445876 0.662372 Se\n0.945876 0.945876 0.162372 Se\n0.676066 0.676066 0.971802 Se\n0.176066 0.176066 0.471802 Se\n0.323934 0.323934 0.028198 Se\n0.823934 0.823934 0.528198 Se\n",
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"formula_full": "K4 Mo30 Se38",
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{
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"structure_string": "In1 Ge2 Sb1 Te5\n1.0\n2.132274 -3.693206 0.000000\n2.132274 3.693206 0.000000\n0.000000 0.000000 17.830967\nIn Ge Sb Te\n1 2 1 5\ndirect\n0.333333 0.666667 0.113558 In\n0.000000 0.000000 0.330710 Ge\n0.000000 0.000000 0.669178 Ge\n0.666667 0.333333 0.890200 Sb\n0.333333 0.666667 0.410636 Te\n0.666667 0.333333 0.588709 Te\n0.000000 0.000000 0.003345 Te\n0.333333 0.666667 0.792007 Te\n0.666667 0.333333 0.201658 Te\n",
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"formula_full": "In1 Ge2 Sb1 Te5",
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{
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"structure_string": "Sr1 Mg30 Ni1 O32\n1.0\n8.594872 0.000000 0.000000\n0.000000 8.594872 0.000000\n0.000000 0.000000 8.596613\nSr Mg Ni O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.244337 0.244337 0.000000 Mg\n0.244337 0.755663 0.000000 Mg\n0.755663 0.244337 0.000000 Mg\n0.755663 0.755663 0.000000 Mg\n0.249535 0.249535 0.500000 Mg\n0.249535 0.750465 0.500000 Mg\n0.750465 0.249535 0.500000 Mg\n0.750465 0.750465 0.500000 Mg\n0.000000 0.249068 0.249729 Mg\n0.000000 0.750932 0.249729 Mg\n0.500000 0.244884 0.254809 Mg\n0.500000 0.755116 0.254809 Mg\n0.000000 0.249068 0.750271 Mg\n0.000000 0.750932 0.750271 Mg\n0.500000 0.244884 0.745191 Mg\n0.500000 0.755116 0.745191 Mg\n0.249068 0.000000 0.249729 Mg\n0.244884 0.500000 0.254809 Mg\n0.750932 0.000000 0.249729 Mg\n0.755116 0.500000 0.254809 Mg\n0.249068 0.000000 0.750271 Mg\n0.244884 0.500000 0.745191 Mg\n0.750932 0.000000 0.750271 Mg\n0.755116 0.500000 0.745191 Mg\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.251689 O\n0.000000 0.500000 0.253408 O\n0.500000 0.000000 0.253408 O\n0.500000 0.500000 0.270143 O\n0.000000 0.000000 0.748311 O\n0.000000 0.500000 0.746592 O\n0.500000 0.000000 0.746592 O\n0.500000 0.500000 0.729857 O\n0.250123 0.250123 0.249328 O\n0.250123 0.749877 0.249328 O\n0.749877 0.250123 0.249328 O\n0.749877 0.749877 0.249328 O\n0.250123 0.250123 0.750672 O\n0.250123 0.749877 0.750672 O\n0.749877 0.250123 0.750672 O\n0.749877 0.749877 0.750672 O\n0.000000 0.247423 0.000000 O\n0.000000 0.752577 0.000000 O\n0.500000 0.229720 0.000000 O\n0.500000 0.770280 0.000000 O\n0.000000 0.248911 0.500000 O\n0.000000 0.751089 0.500000 O\n0.500000 0.246352 0.500000 O\n0.500000 0.753648 0.500000 O\n0.247423 0.000000 0.000000 O\n0.229720 0.500000 0.000000 O\n0.752577 0.000000 0.000000 O\n0.770280 0.500000 0.000000 O\n0.248911 0.000000 0.500000 O\n0.246352 0.500000 0.500000 O\n0.751089 0.000000 0.500000 O\n0.753648 0.500000 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-1226510",
"created_at": "2022-09-04T14:39:26.541048Z",
"structure_string": "Ce1 Y2 Al3 Pd3\n1.0\n3.644503 -6.200534 0.000000\n3.644503 6.200534 0.000000\n0.000000 0.000000 4.031017\nCe Y Al Pd\n1 2 3 3\ndirect\n0.581204 0.581204 0.500000 Ce\n0.416294 0.000615 0.500000 Y\n0.000615 0.416294 0.500000 Y\n0.234806 0.234806 0.000000 Al\n0.762068 0.002383 0.000000 Al\n0.002383 0.762068 0.000000 Al\n0.336072 0.666331 0.000000 Pd\n0.666331 0.336072 0.000000 Pd\n0.000127 0.000127 0.500000 Pd\n",
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{
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{
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{
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{
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{
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{
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{
"id": "mp-768705",
"created_at": "2022-09-04T14:39:21.316429Z",
"structure_string": "Li24 Co8 B8 O32\n1.0\n-5.041881 5.041881 6.376332\n5.041881 -5.041881 6.376332\n5.041881 5.041881 -6.376332\nLi Co B O\n24 8 8 32\ndirect\n0.915494 0.097052 0.136142 Li\n0.834506 0.152948 0.363858 Li\n0.902948 0.039090 0.818442 Li\n0.529352 0.165494 0.318442 Li\n0.417386 0.269943 0.105047 Li\n0.721554 0.563901 0.142595 Li\n0.220648 0.084506 0.181558 Li\n0.847052 0.210910 0.681558 Li\n0.730057 0.835104 0.147444 Li\n0.436099 0.578694 0.157652 Li\n0.789090 0.470648 0.636142 Li\n0.960910 0.779352 0.863858 Li\n0.421042 0.278446 0.842348 Li\n0.313901 0.671306 0.342348 Li\n0.019943 0.414896 0.352556 Li\n0.687660 0.582614 0.852556 Li\n0.028446 0.686099 0.357405 Li\n0.421306 0.578958 0.857405 Li\n0.585104 0.937660 0.605047 Li\n0.332614 0.980057 0.394953 Li\n0.164896 0.312340 0.894953 Li\n0.328694 0.671042 0.642595 Li\n0.062340 0.667386 0.647444 Li\n0.328958 0.971554 0.657652 Li\n0.461000 0.916931 0.996199 Co\n0.535199 0.539000 0.455931 Co\n0.666931 0.170732 0.955931 Co\n0.829268 0.785199 0.496199 Co\n0.289000 0.333069 0.503801 Co\n0.083069 0.079268 0.544069 Co\n0.214801 0.711000 0.044069 Co\n0.920732 0.464801 0.003801 Co\n0.728387 0.394744 0.274926 B\n0.144744 0.369818 0.166357 B\n0.546539 0.271613 0.666357 B\n0.605256 0.880182 0.333643 B\n0.630182 0.796539 0.774926 B\n0.021613 0.855256 0.225074 B\n0.119818 0.453461 0.725074 B\n0.203461 0.978387 0.833643 B\n0.799491 0.259820 0.228986 O\n0.320505 0.049491 0.039671 O\n0.599148 0.355564 0.085049 O\n0.883022 0.681231 0.112316 O\n0.866978 0.568769 0.387684 O\n0.644114 0.383633 0.369937 O\n0.429495 0.200509 0.460329 O\n0.318769 0.431085 0.201791 O\n0.520706 0.133022 0.701791 O\n0.950509 0.990180 0.271014 O\n0.133633 0.263696 0.239519 O\n0.725824 0.355886 0.739519 O\n0.644436 0.729485 0.243584 O\n0.105564 0.520515 0.256416 O\n0.485901 0.400852 0.756416 O\n0.616367 0.986304 0.260481 O\n0.719166 0.679495 0.728986 O\n0.229294 0.116978 0.798209 O\n0.431231 0.818915 0.298209 O\n0.740180 0.969166 0.539671 O\n0.479485 0.735901 0.585049 O\n0.105886 0.866367 0.130063 O\n0.013696 0.274176 0.630063 O\n0.181085 0.479294 0.612316 O\n0.568915 0.770706 0.887684 O\n0.736304 0.975824 0.869937 O\n0.270515 0.514099 0.914951 O\n0.150852 0.894436 0.414951 O\n0.009820 0.280834 0.960329 O\n0.030834 0.570505 0.771014 O\n0.264099 0.849148 0.743584 O\n0.024176 0.894114 0.760481 O\n",
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}
]
}