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{
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{
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"structure_string": "Ba2 Li2 Ru10 O22\n1.0\n2.949322 -5.108376 0.000000\n2.949322 5.108376 0.000000\n0.000000 0.000000 14.015581\nBa Li Ru O\n2 2 10 22\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.157505 Ru\n0.000000 0.000000 0.842495 Ru\n0.000000 0.000000 0.657505 Ru\n0.000000 0.000000 0.342495 Ru\n0.149681 0.299362 0.250000 O\n0.850319 0.700638 0.750000 O\n0.700638 0.850319 0.250000 O\n0.299362 0.149681 0.750000 O\n0.149681 0.850319 0.250000 O\n0.850319 0.149681 0.750000 O\n0.168085 0.336171 0.580208 O\n0.831915 0.663829 0.419792 O\n0.663829 0.831915 0.580208 O\n0.831915 0.663829 0.080208 O\n0.336171 0.168085 0.419792 O\n0.168085 0.336171 0.919792 O\n0.168085 0.831915 0.580208 O\n0.336171 0.168085 0.080208 O\n0.831915 0.168085 0.419792 O\n0.663829 0.831915 0.919792 O\n0.831915 0.168085 0.080208 O\n0.168085 0.831915 0.919792 O\n0.333333 0.666667 0.082378 O\n0.666667 0.333333 0.917622 O\n0.666667 0.333333 0.582378 O\n0.333333 0.666667 0.417622 O\n",
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{
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"created_at": "2022-09-04T14:39:34.828193Z",
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{
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"structure_string": "Cu6 Se6\n1.0\n1.967691 -3.408140 0.000000\n1.967691 3.408140 0.000000\n0.000000 0.000000 17.431654\nCu Se\n6 6\ndirect\n0.333333 0.666667 0.961541 Cu\n0.666667 0.333333 0.461541 Cu\n0.333333 0.666667 0.538459 Cu\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.038459 Cu\n0.000000 0.000000 0.410244 Se\n0.000000 0.000000 0.589756 Se\n0.000000 0.000000 0.089756 Se\n0.333333 0.666667 0.250000 Se\n0.000000 0.000000 0.910244 Se\n0.666667 0.333333 0.750000 Se\n",
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{
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"structure_string": "Na6 Re2\n1.0\n3.309306 -5.731886 0.000000\n3.309306 5.731886 0.000000\n0.000000 0.000000 5.473431\nNa Re\n6 2\ndirect\n0.173947 0.347894 0.250000 Na\n0.652106 0.826053 0.250000 Na\n0.173947 0.826053 0.250000 Na\n0.826053 0.652106 0.750000 Na\n0.347894 0.173947 0.750000 Na\n0.826053 0.173947 0.750000 Na\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n",
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"elements": [
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],
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},
{
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"structure_string": "Ba6 La2 Ru4 O18\n1.0\n3.009264 -5.212197 0.000000\n3.009264 5.212197 0.000000\n0.000000 0.000000 15.085793\nBa La Ru O\n6 2 4 18\ndirect\n0.666667 0.333333 0.394483 Ba\n0.333333 0.666667 0.605517 Ba\n0.666667 0.333333 0.105517 Ba\n0.000000 0.000000 0.250000 Ba\n0.333333 0.666667 0.894483 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.167172 Ru\n0.666667 0.333333 0.832828 Ru\n0.666667 0.333333 0.667172 Ru\n0.333333 0.666667 0.332828 Ru\n0.490938 0.981875 0.250000 O\n0.357372 0.178686 0.594262 O\n0.642628 0.821314 0.094262 O\n0.178686 0.357372 0.094262 O\n0.178686 0.821314 0.094262 O\n0.509062 0.018125 0.750000 O\n0.821314 0.178686 0.594262 O\n0.821314 0.642628 0.905738 O\n0.821314 0.642628 0.594262 O\n0.821314 0.178686 0.905738 O\n0.178686 0.357372 0.405738 O\n0.018125 0.509062 0.250000 O\n0.642628 0.821314 0.405738 O\n0.490938 0.509062 0.250000 O\n0.357372 0.178686 0.905738 O\n0.509062 0.490938 0.750000 O\n0.981875 0.490938 0.750000 O\n0.178686 0.821314 0.405738 O\n",
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"formula_full": "Ba6 La2 Ru4 O18",
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}