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{
"id": "mp-1210463",
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"structure_string": "Na6 Cu2 F12\n1.0\n4.560690 0.000000 -3.161911\n0.000000 5.760849 0.000000\n4.551038 0.000000 6.541608\nNa Cu F\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.014680 0.442243 0.255301 Na\n0.985320 0.557757 0.744699 Na\n0.485320 0.942243 0.244699 Na\n0.514680 0.057757 0.755301 Na\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.164757 0.721450 0.070338 F\n0.835243 0.278550 0.929662 F\n0.335243 0.221450 0.429662 F\n0.664757 0.778550 0.570338 F\n0.883829 0.056504 0.225705 F\n0.116171 0.943496 0.774295 F\n0.616171 0.556504 0.274295 F\n0.383829 0.443496 0.725705 F\n0.285095 0.175599 0.053341 F\n0.714905 0.824401 0.946659 F\n0.214905 0.675599 0.446659 F\n0.785095 0.324401 0.553341 F\n",
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{
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{
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"structure_string": "Sn16 O4 F24\n1.0\n5.127636 0.000000 0.000000\n0.000000 10.933930 0.000000\n0.000000 0.000000 16.583331\nSn O F\n16 4 24\ndirect\n0.466095 0.591583 0.517820 Sn\n0.966095 0.908417 0.482180 Sn\n0.533905 0.091583 0.982180 Sn\n0.033905 0.408417 0.017820 Sn\n0.462385 0.470351 0.190430 Sn\n0.962385 0.029649 0.809570 Sn\n0.537615 0.970351 0.309570 Sn\n0.037615 0.529649 0.690430 Sn\n0.964223 0.701352 0.315375 Sn\n0.464223 0.798648 0.684625 Sn\n0.035777 0.201352 0.184625 Sn\n0.535777 0.298648 0.815375 Sn\n0.870711 0.305104 0.410077 Sn\n0.370711 0.194896 0.589923 Sn\n0.129289 0.805104 0.089923 Sn\n0.629289 0.694896 0.910077 Sn\n0.175096 0.364652 0.133445 O\n0.675096 0.135348 0.866555 O\n0.824904 0.864652 0.366555 O\n0.324904 0.635348 0.633445 O\n0.658099 0.475104 0.076959 F\n0.158099 0.024896 0.923041 F\n0.341901 0.975104 0.423041 F\n0.841901 0.524896 0.576959 F\n0.196701 0.620217 0.120964 F\n0.696701 0.879783 0.879036 F\n0.803299 0.120217 0.379036 F\n0.303299 0.379783 0.620964 F\n0.734048 0.233918 0.534729 F\n0.234048 0.266082 0.465271 F\n0.265952 0.733918 0.965271 F\n0.765952 0.766082 0.034729 F\n0.365583 0.706285 0.796376 F\n0.865583 0.793715 0.203624 F\n0.634417 0.206285 0.703624 F\n0.134417 0.293715 0.296376 F\n0.638959 0.769898 0.538558 F\n0.138959 0.730102 0.461442 F\n0.361041 0.269898 0.961442 F\n0.861041 0.230102 0.038558 F\n0.839052 0.719044 0.705499 F\n0.339052 0.780956 0.294501 F\n0.160948 0.219044 0.794501 F\n0.660948 0.280956 0.205499 F\n",
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"formula_full": "Sn16 O4 F24",
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{
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"created_at": "2022-09-04T14:39:08.072018Z",
"structure_string": "Si6 As6\n1.0\n1.848160 8.866450 0.000000\n-1.848160 8.866450 0.000000\n0.000000 3.887914 9.460132\nSi As\n6 6\ndirect\n0.136876 0.136876 0.590205 Si\n0.863124 0.863124 0.409795 Si\n0.231094 0.231094 0.700730 Si\n0.768906 0.768906 0.299270 Si\n0.565036 0.565036 0.908182 Si\n0.434964 0.434964 0.091818 Si\n0.142395 0.142395 0.945525 As\n0.857605 0.857605 0.054475 As\n0.176014 0.176014 0.338040 As\n0.823986 0.823986 0.661960 As\n0.545209 0.545209 0.685865 As\n0.454791 0.454791 0.314135 As\n",
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"formula_full": "Si6 As6",
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{
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"structure_string": "Sr2 Mn2 Sb2 F2\n1.0\n4.451885 0.000000 0.000000\n0.000000 4.451885 0.000000\n0.000000 0.000000 9.603600\nSr Mn Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.867053 Sr\n0.500000 0.000000 0.132947 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.312461 Sb\n0.500000 0.000000 0.687539 Sb\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Sr2 Mn2 Sb2 F2",
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{
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{
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"structure_string": "In12 Te12 Br4\n1.0\n4.423242 0.000000 0.000000\n0.000000 11.911994 0.000000\n0.000000 0.000000 21.049380\nIn Te Br\n12 12 4\ndirect\n0.250000 0.673235 0.990174 In\n0.750000 0.326765 0.009826 In\n0.750000 0.826765 0.490174 In\n0.250000 0.173235 0.509826 In\n0.250000 0.546387 0.103650 In\n0.750000 0.453613 0.896350 In\n0.750000 0.953613 0.603650 In\n0.250000 0.046387 0.396350 In\n0.250000 0.660816 0.633816 In\n0.750000 0.339184 0.366184 In\n0.750000 0.839184 0.133816 In\n0.250000 0.160816 0.866184 In\n0.250000 0.728800 0.194605 Te\n0.750000 0.271200 0.805395 Te\n0.750000 0.771200 0.694605 Te\n0.250000 0.228800 0.305395 Te\n0.250000 0.669497 0.498715 Te\n0.750000 0.330503 0.501285 Te\n0.750000 0.830503 0.998715 Te\n0.250000 0.169497 0.001285 Te\n0.250000 0.596796 0.861356 Te\n0.750000 0.403204 0.138644 Te\n0.750000 0.903204 0.361356 Te\n0.250000 0.096796 0.638644 Te\n0.250000 0.955057 0.831972 Br\n0.750000 0.044943 0.168028 Br\n0.750000 0.544943 0.331972 Br\n0.250000 0.455057 0.668028 Br\n",
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{
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"structure_string": "Na8 Zr4 Ge10 H2 O32\n1.0\n5.532942 0.000000 0.000000\n0.000000 7.170180 0.000000\n0.000000 6.289000 20.537587\nNa Zr Ge H O\n8 4 10 2 32\ndirect\n0.739801 0.615483 0.526792 Na\n0.260199 0.384517 0.473208 Na\n0.739801 0.384517 0.973208 Na\n0.260199 0.615483 0.026792 Na\n0.504745 0.758614 0.209332 Na\n0.495255 0.241386 0.790668 Na\n0.504745 0.241386 0.290668 Na\n0.495255 0.758614 0.709332 Na\n0.264264 0.886533 0.411197 Zr\n0.735736 0.113467 0.588803 Zr\n0.264264 0.113467 0.088803 Zr\n0.735736 0.886533 0.911197 Zr\n0.992537 0.000000 0.250000 Ge\n0.007463 0.000000 0.750000 Ge\n0.787498 0.806866 0.078428 Ge\n0.212502 0.193134 0.921572 Ge\n0.787498 0.193134 0.421572 Ge\n0.212502 0.806866 0.578428 Ge\n0.755519 0.646303 0.365128 Ge\n0.244481 0.353697 0.634872 Ge\n0.755519 0.353697 0.134872 Ge\n0.244481 0.646303 0.865128 Ge\n0.177553 0.500000 0.250000 H\n0.822447 0.500000 0.750000 H\n0.456160 0.657014 0.389803 O\n0.543840 0.342986 0.610197 O\n0.456160 0.342986 0.110197 O\n0.543840 0.657014 0.889803 O\n0.828738 0.965806 0.687611 O\n0.171262 0.034194 0.312389 O\n0.828738 0.034194 0.812389 O\n0.171262 0.965806 0.187611 O\n0.667721 0.745792 0.010750 O\n0.332279 0.254208 0.989250 O\n0.667721 0.254208 0.489250 O\n0.332279 0.745792 0.510750 O\n0.910394 0.881909 0.564721 O\n0.089606 0.118091 0.435279 O\n0.910394 0.118091 0.935279 O\n0.089606 0.881909 0.064721 O\n0.787668 0.799487 0.281923 O\n0.212332 0.200513 0.718077 O\n0.787668 0.200513 0.218077 O\n0.212332 0.799487 0.781923 O\n0.966947 0.687447 0.420520 O\n0.033053 0.312553 0.579480 O\n0.966947 0.312553 0.079480 O\n0.033053 0.687447 0.920520 O\n0.590735 0.958289 0.106558 O\n0.409265 0.041711 0.893442 O\n0.590735 0.041711 0.393442 O\n0.409265 0.958289 0.606558 O\n0.788595 0.588496 0.148263 O\n0.211405 0.411504 0.851737 O\n0.788595 0.411504 0.351737 O\n0.211405 0.588496 0.648263 O\n",
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{
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"structure_string": "V2 Au2 S4\n1.0\n1.612737 -2.793343 0.000000\n1.612737 2.793343 0.000000\n0.000000 0.000000 15.188637\nV Au S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.344196 S\n0.000000 0.000000 0.844196 S\n0.000000 0.000000 0.155804 S\n0.000000 0.000000 0.655804 S\n",
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