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{
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{
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"structure_string": "Fe6 O7 F5\n1.0\n-4.710508 -0.037883 0.001346\n0.036903 4.708791 -6.178591\n-0.039182 -4.682168 -3.065195\nFe O F\n6 7 5\ndirect\n0.557457 0.651420 0.179724 Fe\n0.484371 0.002033 0.499465 Fe\n0.511560 0.345380 0.814995 Fe\n0.975251 0.684943 0.660285 Fe\n0.980288 0.316156 0.352262 Fe\n0.991237 0.987978 0.001113 Fe\n0.803530 0.444461 0.624976 O\n0.801922 0.766686 0.965663 O\n0.805232 0.093152 0.295064 O\n0.685615 0.777285 0.462158 O\n0.702943 0.422289 0.124535 O\n0.307273 0.236332 0.540952 O\n0.186899 0.905134 0.704034 O\n0.696540 0.106213 0.801203 F\n0.301831 0.568167 0.875978 F\n0.303374 0.894616 0.196096 F\n0.202824 0.228765 0.036789 F\n0.201852 0.568989 0.364706 F\n",
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"formula_full": "Fe6 O7 F5",
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{
"id": "mp-1078996",
"created_at": "2022-09-04T14:48:26.291790Z",
"structure_string": "Nb6 Si4\n1.0\n6.761111 0.000000 0.000000\n0.000000 6.761111 0.000000\n0.000000 0.000000 3.511240\nNb Si\n6 4\ndirect\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.672142 0.172142 0.500000 Nb\n0.327858 0.827858 0.500000 Nb\n0.172142 0.327858 0.500000 Nb\n0.827858 0.672142 0.500000 Nb\n0.127570 0.627570 0.000000 Si\n0.872430 0.372430 0.000000 Si\n0.627570 0.872430 0.000000 Si\n0.372430 0.127570 0.000000 Si\n",
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"formula_full": "Nb6 Si4",
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{
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"created_at": "2022-09-04T14:48:26.280407Z",
"structure_string": "Li12 V1 Ni3 P4 C4 O28\n1.0\n6.488303 0.000000 0.000000\n0.000000 8.364129 0.000000\n0.000000 0.902290 9.974572\nLi V Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.901050 0.615292 Li\n0.000000 0.901485 0.116013 Li\n0.227761 0.721516 0.875891 Li\n0.772239 0.721516 0.875891 Li\n0.229338 0.720864 0.376464 Li\n0.770662 0.720864 0.376464 Li\n0.725552 0.279721 0.629218 Li\n0.274448 0.279721 0.629218 Li\n0.727982 0.278595 0.120817 Li\n0.272018 0.278595 0.120817 Li\n0.500000 0.099405 0.884326 Li\n0.500000 0.100235 0.383808 Li\n0.000000 0.328619 0.396050 V\n0.500000 0.667527 0.603922 Ni\n0.500000 0.667852 0.103754 Ni\n0.000000 0.333957 0.896254 Ni\n0.000000 0.587186 0.639832 P\n0.000000 0.586535 0.136817 P\n0.500000 0.415351 0.862605 P\n0.500000 0.415171 0.362008 P\n0.500000 0.960488 0.649467 C\n0.500000 0.960444 0.149342 C\n0.000000 0.041071 0.850082 C\n0.000000 0.034172 0.348628 C\n0.500000 0.925719 0.525644 O\n0.000000 0.893987 0.817725 O\n0.500000 0.925257 0.025826 O\n0.500000 0.840894 0.742641 O\n0.000000 0.885920 0.320239 O\n0.500000 0.840896 0.242832 O\n0.186967 0.691702 0.588315 O\n0.813033 0.691702 0.588315 O\n0.187245 0.690798 0.085225 O\n0.812755 0.690798 0.085225 O\n0.500000 0.582364 0.916979 O\n0.000000 0.562886 0.796461 O\n0.500000 0.581647 0.417602 O\n0.000000 0.566070 0.293083 O\n0.500000 0.439190 0.705593 O\n0.000000 0.419894 0.586813 O\n0.500000 0.440565 0.205430 O\n0.000000 0.418578 0.083589 O\n0.313217 0.310049 0.912643 O\n0.686783 0.310049 0.912643 O\n0.683192 0.308127 0.413492 O\n0.316808 0.308127 0.413492 O\n0.000000 0.160750 0.756823 O\n0.500000 0.107145 0.681573 O\n0.000000 0.150082 0.252780 O\n0.000000 0.075405 0.973508 O\n0.500000 0.107318 0.180823 O\n0.000000 0.072141 0.471710 O\n",
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{
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"structure_string": "Sc2 Ga1 Os1\n1.0\n0.000000 3.281002 3.281002\n3.281002 0.000000 3.281002\n3.281002 3.281002 0.000000\nSc Ga Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Os\n",
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{
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"structure_string": "La1 Cd2 In1\n1.0\n-6.597478 7.534685 10.225967\n6.597478 -7.534685 10.225967\n6.597478 7.534685 -10.225967\nLa Cd In\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.242663 0.242663 Cd\n0.000000 0.757337 0.757337 Cd\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Ho8 Mo12 O48\n1.0\n10.444930 0.000000 0.000000\n0.000000 10.455124 0.000000\n0.000000 0.000000 10.659767\nHo Mo O\n8 12 48\ndirect\n0.686609 0.001232 0.751661 Ho\n0.313391 0.998768 0.751661 Ho\n0.813391 0.501232 0.751661 Ho\n0.186609 0.498768 0.751661 Ho\n0.001083 0.186949 0.276857 Ho\n0.998917 0.813051 0.276857 Ho\n0.498917 0.686949 0.276857 Ho\n0.501083 0.313051 0.276857 Ho\n0.705143 0.008337 0.369402 Mo\n0.294857 0.991663 0.369402 Mo\n0.794857 0.508337 0.369402 Mo\n0.205143 0.491663 0.369402 Mo\n0.506876 0.296125 0.659006 Mo\n0.493124 0.703875 0.659006 Mo\n0.993124 0.796125 0.659006 Mo\n0.006876 0.203875 0.659006 Mo\n0.755999 0.254422 0.013669 Mo\n0.244001 0.745578 0.013669 Mo\n0.744001 0.754422 0.013669 Mo\n0.255999 0.245578 0.013669 Mo\n0.693906 0.002818 0.536150 O\n0.306094 0.997182 0.536150 O\n0.806094 0.502818 0.536150 O\n0.193906 0.497182 0.536150 O\n0.986143 0.189880 0.493379 O\n0.013857 0.810120 0.493379 O\n0.513857 0.689880 0.493379 O\n0.486143 0.310120 0.493379 O\n0.627148 0.494091 0.320867 O\n0.372852 0.505909 0.320867 O\n0.872852 0.994091 0.320867 O\n0.127148 0.005909 0.320867 O\n0.995862 0.372630 0.705565 O\n0.004138 0.627370 0.705565 O\n0.504138 0.872630 0.705565 O\n0.495862 0.127370 0.705565 O\n0.664069 0.346999 0.702641 O\n0.335931 0.653001 0.702641 O\n0.835931 0.846999 0.702641 O\n0.164069 0.153001 0.702641 O\n0.653678 0.163628 0.321675 O\n0.346322 0.836372 0.321675 O\n0.846322 0.663628 0.321675 O\n0.153678 0.336372 0.321675 O\n0.884689 0.111963 0.733396 O\n0.115311 0.888037 0.733396 O\n0.615311 0.611963 0.733396 O\n0.384689 0.388037 0.733396 O\n0.887158 0.382127 0.301725 O\n0.112842 0.617873 0.301725 O\n0.612842 0.882127 0.301725 O\n0.387158 0.117873 0.301725 O\n0.634070 0.322331 0.110571 O\n0.365930 0.677669 0.110571 O\n0.865930 0.822331 0.110571 O\n0.134070 0.177669 0.110571 O\n0.831186 0.377286 0.921866 O\n0.168814 0.622714 0.921866 O\n0.668814 0.877286 0.921866 O\n0.331186 0.122714 0.921866 O\n0.869781 0.175577 0.112895 O\n0.130219 0.824423 0.112895 O\n0.630219 0.675577 0.112895 O\n0.369781 0.324423 0.112895 O\n0.683966 0.141756 0.908976 O\n0.316034 0.858244 0.908976 O\n0.816034 0.641756 0.908976 O\n0.183966 0.358244 0.908976 O\n",
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{
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{
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{
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"structure_string": "Sc1 Ru3 C1\n1.0\n4.087400 0.000000 0.000000\n0.000000 4.087400 0.000000\n0.000000 0.000000 4.087400\nSc Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 C\n",
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{
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]
}