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{
"id": "jvasp-86038",
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{
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"structure_string": "Ga3 As3 O12\n1.0\n2.496206 -4.323653 -0.000068\n2.496129 4.323609 0.000065\n-0.000006 0.000167 11.569036\nGa As O\n3 3 12\ndirect\n0.446701 -0.000001 0.333325 Ga\n0.000004 0.446701 0.666656 Ga\n0.553302 0.553305 0.999992 Ga\n0.444141 -0.000002 0.833322 As\n-0.000006 0.444138 0.166659 As\n0.555865 0.555864 0.499992 As\n0.302510 0.390306 0.129956 O\n0.912228 0.609709 0.536688 O\n0.697452 0.087772 0.203354 O\n0.390312 0.302520 0.870024 O\n0.607321 0.931202 0.952318 O\n0.931192 0.607324 0.047665 O\n0.323874 0.392690 0.618983 O\n0.087775 0.697453 0.796627 O\n0.676114 0.068807 0.714328 O\n0.392693 0.323875 0.380998 O\n0.068807 0.676111 0.285656 O\n0.609711 0.912235 0.463295 O\n",
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{
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"updated_at": "2022-09-04T14:35:51.792355Z",
"structure_string": "Li3 Ni3 B3 O9\n1.0\n3.993172 -6.916376 -0.000000\n3.993172 6.916376 -0.000000\n0.000000 -0.000000 3.047198\nLi Ni B O\n3 3 3 9\ndirect\n0.299112 0.274048 0.500000 Li\n0.725952 0.025064 0.500000 Li\n0.974935 0.700887 0.500000 Li\n0.016971 0.385623 0.000000 Ni\n0.614377 0.631348 0.000000 Ni\n0.368651 0.983028 0.000000 Ni\n0.000000 0.000000 0.000000 B\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n0.245644 0.779672 0.500000 O\n0.200402 0.101675 0.000000 O\n0.552557 0.134338 0.500000 O\n0.898325 0.098726 0.000000 O\n0.581781 0.447442 0.500000 O\n0.865661 0.418218 0.500000 O\n0.220328 0.465972 0.500000 O\n0.901274 0.799598 0.000000 O\n0.534027 0.754356 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:02.806583Z",
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"structure_string": "Lu10 Ni2 Pb6\n1.0\n8.924934 -0.000000 0.000000\n-4.462467 7.729219 0.000000\n0.000000 0.000000 6.538038\nLu Ni Pb\n10 2 6\ndirect\n0.236702 0.000000 0.250000 Lu\n0.763297 0.763298 0.250000 Lu\n0.236702 0.236702 0.750000 Lu\n-0.000000 0.763298 0.750000 Lu\n0.666667 0.333333 0.000000 Lu\n0.333333 0.666667 0.000000 Lu\n0.333333 0.666667 0.500000 Lu\n-0.000000 0.236702 0.250000 Lu\n0.763297 0.000000 0.750000 Lu\n0.666667 0.333333 0.500000 Lu\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n-0.000000 0.599833 0.250000 Pb\n0.400167 0.000000 0.750000 Pb\n-0.000000 0.400167 0.750000 Pb\n0.400167 0.400167 0.250000 Pb\n0.599833 0.000000 0.250000 Pb\n0.599833 0.599833 0.750000 Pb\n",
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{
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{
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"created_at": "2022-09-04T14:36:06.397511Z",
"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
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{
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"structure_string": "C6 F12\n1.0\n5.603261 -0.050305 -1.813350\n-0.635479 6.130816 -0.282103\n0.096338 -0.028546 6.390947\nC F\n6 12\ndirect\n0.551637 0.826847 0.771337 C\n0.448363 0.173154 0.228664 C\n0.343645 0.740824 0.629061 C\n0.656355 0.259177 0.370940 C\n0.248968 0.290003 0.099987 C\n0.751032 0.709998 0.900014 C\n0.275258 0.529416 0.578156 F\n0.181844 0.862891 0.522426 F\n0.598086 0.047425 0.807078 F\n0.049142 0.247051 0.165178 F\n0.184928 0.223308 0.882571 F\n0.815072 0.776693 0.117430 F\n0.950858 0.752950 0.834824 F\n0.818156 0.137110 0.477575 F\n0.724742 0.470585 0.421845 F\n0.692214 0.490480 0.876784 F\n0.307786 0.509521 0.123217 F\n0.401914 0.952575 0.192924 F\n",
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{
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"created_at": "2022-09-04T14:35:59.260376Z",
"updated_at": "2022-09-04T14:35:59.260400Z",
"structure_string": "Al2 Se2 Cl14\n1.0\n6.272476 -0.022876 1.496909\n0.875423 8.128366 0.501073\n0.222430 -0.055909 9.742015\nAl Se Cl\n2 2 14\ndirect\n0.184324 0.974619 0.513887 Al\n0.477045 0.406389 0.943675 Al\n0.867265 0.370227 0.306571 Se\n0.010804 0.003867 0.979345 Se\n0.656414 0.175800 0.870384 Cl\n0.777243 0.010026 0.192949 Cl\n0.289796 0.892143 0.052742 Cl\n0.933643 0.781172 0.894718 Cl\n-0.067915 0.516550 0.724047 Cl\n-0.025140 0.597589 0.341519 Cl\n0.480441 0.588809 0.772898 Cl\n0.553239 0.509994 0.120135 Cl\n0.626870 0.336042 0.499296 Cl\n0.258423 0.171159 0.349676 Cl\n0.396792 0.762875 0.434464 Cl\n0.853673 0.937087 0.551681 Cl\n0.136913 0.356084 0.012860 Cl\n0.266971 0.069766 0.697356 Cl\n",
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"updated_at": "2022-09-04T14:35:55.010127Z",
"structure_string": "Zn1 Cu3 H6 Cl2 O6\n1.0\n6.323010 -0.000000 -0.000000\n-3.161505 5.475886 0.000000\n-0.000000 -0.000000 5.723304\nZn Cu H Cl O\n1 3 6 2 6\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000001 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Cu\n0.800980 0.601960 0.174755 H\n0.601961 0.800980 0.825245 H\n0.199021 0.398040 0.825245 H\n0.800980 0.199021 0.174755 H\n0.199021 0.800980 0.825245 H\n0.398040 0.199021 0.174755 H\n0.333334 0.666667 0.121531 Cl\n0.666667 0.333333 0.878468 Cl\n0.822969 0.645937 0.342810 O\n0.645937 0.822969 0.657190 O\n0.822968 0.177032 0.342810 O\n0.354064 0.177032 0.342810 O\n0.177033 0.822969 0.657190 O\n0.177032 0.354064 0.657190 O\n",
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"structure_string": "Mn6 O5 F7\n1.0\n5.592396 0.005298 -0.027405\n1.662279 5.358618 -0.044225\n2.051859 1.519982 6.755423\nMn O F\n6 5 7\ndirect\n0.666522 0.712143 0.837919 Mn\n0.357795 0.322254 0.669935 Mn\n0.669135 0.622164 0.310358 Mn\n0.309180 0.333740 0.171892 Mn\n0.985659 0.007519 0.495384 Mn\n0.991666 0.022177 0.002649 Mn\n0.654148 0.038487 0.666186 O\n0.963568 0.339431 0.327823 O\n0.432718 0.412116 0.376971 O\n0.770208 0.792362 0.031678 O\n0.230804 0.234900 0.959979 O\n0.058945 0.637957 0.659450 F\n0.356741 0.932347 0.340284 F\n0.886231 0.867967 0.310283 F\n0.585058 0.582104 0.637303 F\n0.106344 0.097171 0.696878 F\n0.291988 0.711906 0.004004 F\n0.683302 0.333259 0.001025 F\n",
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