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{
"id": "jvasp-28742",
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"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.256364 0.000000 0.000000\n-1.628182 2.820103 -0.000045\n0.000000 -0.000552 34.721627\nMo W Se S\n3 1 4 4\ndirect\n0.333328 0.666656 0.095012 Mo\n0.333323 0.666647 0.471381 Mo\n0.666640 0.333281 0.279749 Mo\n0.666709 0.333419 0.656771 W\n0.333314 0.666631 0.328680 Se\n0.666642 0.333285 0.422452 Se\n0.666673 0.333347 0.520294 Se\n0.333297 0.666595 0.230836 Se\n0.333380 0.666762 0.701487 S\n0.666655 0.333311 0.050517 S\n0.666671 0.333343 0.139565 S\n0.333360 0.666722 0.612006 S\n",
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{
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"structure_string": "Sr5 Bi3 O12\n1.0\n6.003604 -0.004795 0.004905\n0.004017 6.201581 -0.010467\n0.028853 0.065077 8.566201\nSr Bi O\n5 3 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.983404 0.445644 0.241883 Sr\n0.512755 0.948963 0.244299 Sr\n0.487244 0.051036 0.755702 Sr\n0.016596 0.554356 0.758117 Sr\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.208860 0.323538 0.952415 O\n0.289773 0.792232 0.561105 O\n0.328527 0.788489 0.946655 O\n0.389274 0.546972 0.250567 O\n0.610725 0.453028 0.749433 O\n0.795252 0.715094 0.431470 O\n0.710227 0.207768 0.438895 O\n0.791139 0.676461 0.047585 O\n0.204747 0.284905 0.568531 O\n0.887895 0.951758 0.729558 O\n0.671472 0.211511 0.053345 O\n0.112104 0.048242 0.270442 O\n",
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{
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"created_at": "2022-09-04T14:35:47.875739Z",
"updated_at": "2022-09-04T14:35:47.875757Z",
"structure_string": "Ba6 Ge2 O10\n1.0\n-3.684960 3.684960 5.872065\n3.684960 -3.684960 5.872065\n3.684960 3.684960 -5.872065\nBa Ge O\n6 2 10\ndirect\n0.819885 0.319885 0.139769 Ba\n0.250000 0.250000 0.000000 Ba\n0.750001 0.750001 0.000000 Ba\n0.319884 0.180116 0.500000 Ba\n0.680116 0.819885 0.500000 Ba\n0.180116 0.680116 0.860231 Ba\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.207422 0.707422 0.228705 O\n0.292578 0.521283 0.500000 O\n0.792578 0.292578 0.771295 O\n0.707422 0.478717 0.500000 O\n0.521283 0.021283 0.228705 O\n0.000000 0.000000 0.000000 O\n0.978717 0.207422 0.500000 O\n0.021283 0.792578 0.500000 O\n0.500000 0.500000 0.000000 O\n0.478717 0.978717 0.771295 O\n",
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{
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"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.485995 -0.000001 0.000001\n-1.742998 3.018963 0.000009\n0.000008 0.000077 30.308893\nTe Mo W Se\n4 2 1 2\ndirect\n0.333326 0.666656 0.403221 Te\n0.666684 0.333370 0.519610 Te\n0.666668 0.333336 0.641711 Te\n0.333312 0.666626 0.281626 Te\n0.333313 0.666627 0.117808 Mo\n0.666654 0.333309 0.342423 Mo\n0.333343 0.666687 0.580723 W\n0.666650 0.333302 0.064337 Se\n0.666643 0.333287 0.171383 Se\n",
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{
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"created_at": "2022-09-04T14:37:28.100253Z",
"updated_at": "2022-09-04T14:37:28.100273Z",
"structure_string": "Ba4 Pr2 Ir2 O12\n1.0\n6.085285 -0.000000 0.000000\n0.000000 6.085285 -0.000000\n-0.000000 -0.000000 8.613992\nBa Pr Ir O\n4 2 2 12\ndirect\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.000000 0.500000 0.750000 Ba\n0.000000 0.500000 0.250000 Ba\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.740015 0.279964 0.500000 O\n0.259985 0.720036 0.500000 O\n0.500000 0.500000 0.730105 O\n0.000000 0.000000 0.230105 O\n0.279964 0.259985 0.500000 O\n0.500000 0.500000 0.269895 O\n0.220036 0.759986 0.000000 O\n0.000000 0.000000 0.769895 O\n0.759986 0.779965 0.000000 O\n0.779965 0.240015 0.000000 O\n0.720036 0.740015 0.500000 O\n0.240015 0.220036 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:55.123760Z",
"updated_at": "2022-09-04T14:36:55.123772Z",
"structure_string": "Na2 Er2 Cl8\n1.0\n0.000000 6.247779 -0.071789\n7.611816 0.000000 0.000000\n0.000000 -0.239240 -6.705029\nNa Er Cl\n2 2 8\ndirect\n0.500000 0.354099 0.750000 Na\n0.500000 0.645901 0.250000 Na\n0.000000 0.843025 0.750000 Er\n0.000000 0.156975 0.250000 Er\n0.748602 0.620883 0.590205 Cl\n0.251398 0.620883 0.909795 Cl\n0.231400 0.103421 0.930744 Cl\n0.768600 0.103421 0.569256 Cl\n0.768600 0.896580 0.069256 Cl\n0.231400 0.896580 0.430744 Cl\n0.748602 0.379117 0.090205 Cl\n0.251398 0.379117 0.409795 Cl\n",
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{
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"structure_string": "Cu1 H12 I4 N4\n1.0\n5.468622 4.376664 -4.382862\n-5.468622 4.376664 4.382862\n0.083170 0.000000 6.597839\nCu H I N\n1 12 4 4\ndirect\n0.500000 0.500000 0.000000 Cu\n0.719317 0.791365 0.145011 H\n0.208634 0.280682 0.145011 H\n0.791365 0.719317 0.854989 H\n0.555671 0.876198 0.851152 H\n0.123801 0.444328 0.851152 H\n0.280682 0.208634 0.854989 H\n0.876198 0.555671 0.148848 H\n0.495156 0.763626 0.104973 H\n0.236373 0.504843 0.104973 H\n0.504843 0.236373 0.895027 H\n0.763626 0.495156 0.895027 H\n0.444328 0.123801 0.148848 H\n0.907381 0.092618 0.535296 I\n0.092618 0.907381 0.464704 I\n0.699288 0.300711 0.619870 I\n0.300711 0.699288 0.380130 I\n0.238427 0.425304 0.027291 N\n0.761572 0.574695 0.972709 N\n0.425304 0.238427 0.972709 N\n0.574695 0.761572 0.027291 N\n",
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"structure_string": "K4 Mo2 S4 O4\n1.0\n5.873616 -0.043832 2.882837\n1.696283 5.623514 2.882837\n-0.116095 -0.085572 9.549915\nK Mo S O\n4 2 4 4\ndirect\n0.761516 0.654979 0.664276 K\n0.345020 0.238484 0.835724 K\n0.238483 0.345021 0.335725 K\n0.654979 0.761516 0.164276 K\n0.074252 0.925746 0.750000 Mo\n0.925747 0.074254 0.250000 Mo\n0.245138 0.720708 0.946810 S\n0.279291 0.754860 0.553191 S\n0.754861 0.279292 0.053190 S\n0.720708 0.245140 0.446810 S\n0.087934 0.219294 0.671014 O\n0.780706 0.912065 0.828987 O\n0.912065 0.780706 0.328987 O\n0.219294 0.087935 0.171014 O\n",
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"updated_at": "2022-09-04T14:38:48.899111Z",
"structure_string": "Ce2 Mn3 Cu9 As7\n1.0\n9.754776 0.000000 0.000000\n-4.877387 8.447884 0.000000\n-0.000000 -0.000000 3.872469\nCe Mn Cu As\n2 3 9 7\ndirect\n0.333333 0.666666 -0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.784010 0.254953 0.500000 Mn\n0.745046 0.529055 0.500000 Mn\n0.470945 0.215990 0.500000 Mn\n0.303456 0.368116 0.500000 Cu\n0.064662 0.696544 0.500000 Cu\n0.631883 0.935338 0.500000 Cu\n0.948458 0.485189 -0.000000 Cu\n0.514811 0.463267 -0.000000 Cu\n0.191169 0.895282 -0.000000 Cu\n0.704112 0.808830 -0.000000 Cu\n0.104718 0.295887 -0.000000 Cu\n0.536733 0.051542 -0.000000 Cu\n0.557674 0.636980 0.500000 As\n0.816610 0.100934 -0.000000 As\n0.899066 0.715674 -0.000000 As\n0.284325 0.183390 -0.000000 As\n0.363019 0.920693 0.500000 As\n0.079306 0.442326 0.500000 As\n0.666667 0.333333 -0.000000 As\n",
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{
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"created_at": "2022-09-04T14:36:18.415366Z",
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]
}