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{
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{
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"structure_string": "K2 Mg1 Fe4 P6 O16 F12\n1.0\n7.202170 0.048066 -2.627119\n-0.605173 7.580094 -1.545743\n0.032664 -0.013489 10.903552\nK Mg Fe P O F\n2 1 4 6 16 12\ndirect\n0.827474 0.078375 0.812617 K\n0.233445 0.929337 0.179021 K\n0.383382 0.922290 0.558578 Mg\n0.653956 0.314233 0.324259 Fe\n0.329885 0.652091 0.679053 Fe\n0.499181 0.509076 0.008178 Fe\n0.982837 0.006449 0.494416 Fe\n0.664416 0.729594 0.509429 P\n0.356924 0.255527 0.484059 P\n0.305866 0.108779 0.811044 P\n0.693544 0.913266 0.177868 P\n0.066281 0.590489 0.854295 P\n0.925842 0.412769 0.162463 P\n0.701504 0.557660 0.436183 O\n0.297283 0.413687 0.556887 O\n0.815497 0.877188 0.562544 O\n0.228727 0.085594 0.447989 O\n0.587434 0.074895 0.207671 O\n0.413050 0.963846 0.754635 O\n0.437813 0.268935 0.893295 O\n0.553948 0.751886 0.119636 O\n0.872425 0.893537 0.286626 O\n0.123808 0.139913 0.709369 O\n0.884448 0.350000 0.270618 O\n0.098722 0.638547 0.738751 O\n0.778407 0.471595 0.051648 O\n0.219277 0.545596 0.969797 O\n0.423659 0.272558 0.371308 O\n0.562298 0.729414 0.608154 O\n0.822638 0.223116 0.468477 F\n0.164552 0.776148 0.520336 F\n0.505083 0.414043 0.166706 F\n0.500992 0.605524 0.856360 F\n0.757058 0.945223 0.057285 F\n0.246771 0.029003 0.918771 F\n0.901398 0.444928 0.805635 F\n0.093833 0.554451 0.223777 F\n0.538366 0.187755 0.596341 F\n0.493448 0.812901 0.396711 F\n0.023736 0.260765 0.094063 F\n0.968294 0.747351 0.917646 F\n",
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{
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"structure_string": "Cd1 Bi12 Cl14 O12\n1.0\n2.757335 -26.340968 0.000000\n2.757335 26.340968 0.000000\n0.000000 0.000000 5.514359\nCd Bi Cl O\n1 12 14 12\ndirect\n0.000000 0.000000 0.500000 Cd\n0.774264 0.225736 0.000000 Bi\n0.274273 0.725727 0.500000 Bi\n0.725727 0.274273 0.500000 Bi\n0.225736 0.774264 0.000000 Bi\n0.920589 0.079411 0.000000 Bi\n0.420589 0.579411 0.500000 Bi\n0.579411 0.420589 0.500000 Bi\n0.079411 0.920589 0.000000 Bi\n0.627779 0.372221 0.000000 Bi\n0.128432 0.871568 0.500000 Bi\n0.871568 0.128432 0.500000 Bi\n0.372221 0.627779 0.000000 Bi\n0.699500 0.300500 0.000000 Cl\n0.199480 0.800520 0.500000 Cl\n0.800520 0.199480 0.500000 Cl\n0.300500 0.699500 0.000000 Cl\n0.555165 0.444835 0.000000 Cl\n0.052011 0.947989 0.500000 Cl\n0.947989 0.052011 0.500000 Cl\n0.444835 0.555165 0.000000 Cl\n0.845962 0.154038 0.000000 Cl\n0.345963 0.654037 0.500000 Cl\n0.654037 0.345963 0.500000 Cl\n0.154038 0.845962 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.648020 0.855677 0.748158 O\n0.144323 0.351980 0.251842 O\n0.144323 0.351980 0.748158 O\n0.648020 0.855677 0.251842 O\n0.855677 0.648020 0.748158 O\n0.351980 0.144323 0.251842 O\n0.351980 0.144323 0.748158 O\n0.855677 0.648020 0.251842 O\n0.500000 0.000000 0.749970 O\n0.000000 0.500000 0.250030 O\n0.000000 0.500000 0.749970 O\n0.500000 0.000000 0.250030 O\n",
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{
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"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n-5.178703 0.000000 0.000000\n2.373803 5.569608 0.000000\n-0.088941 -2.305159 -8.864527\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.252601 0.672540 0.184363 Li\n0.749511 0.669193 0.683288 Li\n0.249472 0.329709 0.316320 Li\n0.746747 0.327287 0.814042 Li\n0.788567 0.768070 0.375290 Mn\n0.287952 0.766324 0.872390 Mn\n0.713332 0.234234 0.126652 Mn\n0.207338 0.234171 0.628673 Fe\n0.771364 0.737008 0.036533 B\n0.271932 0.739604 0.536909 B\n0.728271 0.262899 0.465406 B\n0.229963 0.260508 0.961833 B\n0.557669 0.825472 0.064949 O\n0.059825 0.829721 0.566680 O\n0.360047 0.703704 0.393294 O\n0.881996 0.676147 0.151824 O\n0.381911 0.675172 0.650602 O\n0.140378 0.298257 0.104536 O\n0.860600 0.701523 0.893319 O\n0.619997 0.323462 0.348970 O\n0.118325 0.318770 0.844889 O\n0.631259 0.294140 0.606252 O\n0.946802 0.178738 0.438791 O\n0.444142 0.173348 0.934194 O\n",
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{
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{
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"structure_string": "Li2 Co4 O8\n1.0\n2.955274 0.000000 0.000000\n0.000000 4.939286 -0.035342\n1.477637 0.748390 9.809220\nLi Co O\n2 4 8\ndirect\n0.625465 0.548424 0.749071 Li\n0.874535 0.951576 0.250929 Li\n0.488767 0.495316 0.022467 Co\n0.011233 0.004684 0.977533 Co\n0.250000 0.750000 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.052992 0.685552 0.894015 O\n0.554281 0.217562 0.891437 O\n0.447008 0.814448 0.105985 O\n0.945719 0.282438 0.108563 O\n0.302659 0.076010 0.394682 O\n0.799437 0.611182 0.401126 O\n0.197341 0.423990 0.605318 O\n0.700563 0.888818 0.598874 O\n",
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"formula_full": "Li4 Mn3 V1 P4 O16",
"formula_reduced": "Li4Mn3V(PO4)4",
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"spacegroup": 6
},
{
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"structure_string": "In2 Pd8 Se1\n1.0\n4.075264 0.000000 0.000000\n0.000000 4.075264 0.000000\n0.000000 0.000000 11.149914\nIn Pd Se\n2 8 1\ndirect\n0.500000 0.500000 0.822348 In\n0.500000 0.500000 0.177652 In\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.640583 Pd\n0.000000 0.500000 0.640583 Pd\n0.500000 0.000000 0.359417 Pd\n0.000000 0.500000 0.359417 Pd\n0.000000 0.000000 0.820152 Pd\n0.000000 0.000000 0.179848 Pd\n0.000000 0.000000 0.500000 Se\n",
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],
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"density": 10.40177844964907,
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"volume": 185.1752815983168,
"volume_molar": 10.137741918706377,
"formula_full": "In2 Pd8 Se1",
"formula_reduced": "In2Pd8Se",
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"total_magnetization": 6.5e-06,
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"updated_at": "2021-11-28T01:34:54.645000Z",
"spacegroup": 123
},
{
"id": "mp-569428",
"created_at": "2022-09-04T14:40:28.051439Z",
"structure_string": "Pr8 Fe56 B4\n1.0\n8.783147 0.000000 0.000000\n0.000000 8.783147 0.000000\n0.000000 0.000000 12.171503\nPr Fe B\n8 56 4\ndirect\n0.231104 0.768896 0.500000 Pr\n0.857615 0.142385 0.000000 Pr\n0.642385 0.642385 0.500000 Pr\n0.142385 0.857615 0.000000 Pr\n0.357615 0.357615 0.500000 Pr\n0.731104 0.731104 0.000000 Pr\n0.268896 0.268896 0.000000 Pr\n0.768896 0.231104 0.500000 Pr\n0.181942 0.818058 0.745672 Fe\n0.139606 0.536957 0.676608 Fe\n0.401846 0.598154 0.293769 Fe\n0.463043 0.860394 0.676608 Fe\n0.963043 0.639606 0.176608 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.885698 Fe\n0.681942 0.681942 0.245672 Fe\n0.536957 0.139606 0.676608 Fe\n0.775369 0.432386 0.872371 Fe\n0.360394 0.036957 0.176608 Fe\n0.901846 0.901846 0.206231 Fe\n0.000000 0.000000 0.614302 Fe\n0.963043 0.639606 0.823392 Fe\n0.818058 0.181942 0.254328 Fe\n0.000000 0.000000 0.385698 Fe\n0.500000 0.500000 0.114302 Fe\n0.139606 0.536957 0.323392 Fe\n0.318058 0.318058 0.245672 Fe\n0.067614 0.275369 0.372371 Fe\n0.536957 0.139606 0.323392 Fe\n0.036957 0.360394 0.823392 Fe\n0.098154 0.098154 0.793769 Fe\n0.724631 0.932386 0.627629 Fe\n0.432386 0.775369 0.127629 Fe\n0.932386 0.724631 0.627629 Fe\n0.932386 0.724631 0.372371 Fe\n0.681942 0.681942 0.754328 Fe\n0.463043 0.860394 0.323392 Fe\n0.639606 0.963043 0.176608 Fe\n0.098154 0.098154 0.206231 Fe\n0.036957 0.360394 0.176608 Fe\n0.224631 0.567614 0.872371 Fe\n0.567614 0.224631 0.127629 Fe\n0.818058 0.181942 0.745672 Fe\n0.860394 0.463043 0.323392 Fe\n0.067614 0.275369 0.627629 Fe\n0.860394 0.463043 0.676608 Fe\n0.318058 0.318058 0.754328 Fe\n0.360394 0.036957 0.823392 Fe\n0.275369 0.067614 0.372371 Fe\n0.901846 0.901846 0.793769 Fe\n0.639606 0.963043 0.823392 Fe\n0.224631 0.567614 0.127629 Fe\n0.275369 0.067614 0.627629 Fe\n0.775369 0.432386 0.127629 Fe\n0.598154 0.401846 0.293769 Fe\n0.000000 0.500000 0.000000 Fe\n0.724631 0.932386 0.372371 Fe\n0.181942 0.818058 0.254328 Fe\n0.401846 0.598154 0.706231 Fe\n0.567614 0.224631 0.872371 Fe\n0.500000 0.000000 0.500000 Fe\n0.598154 0.401846 0.706231 Fe\n0.000000 0.500000 0.500000 Fe\n0.432386 0.775369 0.872371 Fe\n0.876677 0.876677 0.500000 B\n0.123323 0.123323 0.500000 B\n0.623323 0.376677 0.000000 B\n0.376677 0.623323 0.000000 B\n",
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"density": 7.600695465571456,
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"formula_full": "Pr8 Fe56 B4",
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"updated_at": "2021-11-28T01:35:00.667000Z",
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]
}