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{
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"structure_string": "Ti4 C3 N1\n1.0\n3.017077 0.000762 9.650224\n1.474009 2.632500 9.650224\n0.001300 0.000762 10.110865\nTi C N\n4 3 1\ndirect\n0.874700 0.874697 0.874697 Ti\n0.125302 0.125301 0.125301 Ti\n0.375663 0.375662 0.375662 Ti\n0.624339 0.624337 0.624337 Ti\n0.251118 0.251118 0.251117 C\n0.500001 0.499999 0.499999 C\n0.748884 0.748881 0.748881 C\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Ti4 C2 S2\n1.0\n1.605189 -2.780268 0.000000\n1.605189 2.780268 -0.000000\n-0.000000 0.000000 11.259644\nTi C S\n4 2 2\ndirect\n0.333333 0.666667 0.400817 Ti\n0.666667 0.333333 0.900817 Ti\n0.666667 0.333333 0.599182 Ti\n0.333333 0.666667 0.099183 Ti\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.250000 S\n0.333333 0.666667 0.750000 S\n",
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{
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"structure_string": "Ti1 Cd1 Au2\n1.0\n-10.778183 2.330538 -2.416212\n-7.819351 1.437262 0.982308\n-6.909982 4.008491 -0.592334\nTi Cd Au\n1 1 2\ndirect\n-0.000000 0.000000 -0.000000 Ti\n0.499999 0.000000 0.000001 Cd\n0.702083 0.038302 0.038269 Au\n0.297916 -0.038302 -0.038268 Au\n",
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{
"id": "jvasp-16220",
"created_at": "2022-09-04T14:35:43.663844Z",
"updated_at": "2022-09-04T14:35:43.663875Z",
"structure_string": "Ti4 Cd2 C2\n1.0\n1.551967 -2.688085 0.000000\n1.551967 2.688085 0.000000\n0.000000 -0.000000 14.418047\nTi Cd C\n4 2 2\ndirect\n0.666668 0.333334 0.578399 Ti\n0.333334 0.666668 0.421601 Ti\n0.333334 0.666668 0.078399 Ti\n0.666668 0.333334 0.921601 Ti\n0.666668 0.333334 0.250000 Cd\n0.333334 0.666668 0.750000 Cd\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Ti4 Cd2 C2",
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"formula_anonymous": "ABC2",
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"spacegroup": 194
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{
"id": "jvasp-115829",
"created_at": "2022-09-04T14:38:29.660854Z",
"updated_at": "2022-09-04T14:38:29.660880Z",
"structure_string": "Ti1 Cd1 F3\n1.0\n2.493707 -3.030708 0.567700\n2.493707 3.030708 0.567700\n0.513371 0.000000 5.230099\nTi Cd F\n1 1 3\ndirect\n0.721246 0.721246 0.217821 Ti\n0.210673 0.210673 0.725447 Cd\n0.188873 0.756651 0.292165 F\n0.612550 0.612550 0.912566 F\n0.756651 0.188873 0.292165 F\n",
"nsites": 5,
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"spacegroup": 8
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{
"id": "jvasp-115828",
"created_at": "2022-09-04T14:38:29.656410Z",
"updated_at": "2022-09-04T14:38:29.656436Z",
"structure_string": "Ti1 Cd1 F1\n1.0\n2.893143 -0.000000 -0.000000\n-0.000000 2.893143 0.000000\n0.000000 0.000000 7.096949\nTi Cd F\n1 1 1\ndirect\n0.000000 0.000000 0.842427 Ti\n0.000000 0.000000 0.444405 Cd\n0.000000 0.000000 0.101360 F\n",
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{
"id": "jvasp-54625",
"created_at": "2022-09-04T14:38:33.343780Z",
"updated_at": "2022-09-04T14:38:33.343804Z",
"structure_string": "Ti1 Cd1 F6\n1.0\n4.679801 0.090692 3.242468\n1.746118 4.342790 3.242468\n0.131449 0.090692 5.691823\nTi Cd F\n1 1 6\ndirect\n0.500000 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n0.872972 0.576506 0.277155 F\n0.722846 0.127028 0.423493 F\n0.277155 0.872971 0.576507 F\n0.576508 0.277154 0.872971 F\n0.127029 0.423492 0.722845 F\n0.423493 0.722845 0.127029 F\n",
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"formula_full": "Ti1 Cd1 F6",
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"spacegroup": 148
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{
"id": "jvasp-16474",
"created_at": "2022-09-04T14:37:38.322354Z",
"updated_at": "2022-09-04T14:37:38.322381Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 -0.000000\n0.000000 4.449802 0.000000\n0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
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{
"id": "jvasp-14273",
"created_at": "2022-09-04T14:37:03.796827Z",
"updated_at": "2022-09-04T14:37:03.796854Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 0.000000\n-0.000000 4.449802 0.000000\n-0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
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{
"id": "jvasp-55541",
"created_at": "2022-09-04T14:37:02.116492Z",
"updated_at": "2022-09-04T14:37:02.116527Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.367898 0.000000 0.000000\n0.000000 5.484166 0.000000\n0.000000 0.000000 7.681656\nTi Cd O\n4 4 12\ndirect\n0.755186 0.663090 0.250677 Ti\n0.244814 0.163090 0.749323 Ti\n0.244814 0.163090 0.250677 Ti\n0.755186 0.663090 0.749323 Ti\n0.261917 0.692709 0.500000 Cd\n0.738084 0.192708 0.500000 Cd\n0.752506 0.114348 0.000000 Cd\n0.247494 0.614348 0.000000 Cd\n0.841784 0.613774 0.500000 O\n0.158217 0.113774 0.500000 O\n0.447667 0.440348 0.298362 O\n0.552334 0.940348 0.701639 O\n0.552334 0.940348 0.298362 O\n0.949808 0.344896 0.203212 O\n0.050192 0.844897 0.203212 O\n0.949808 0.344896 0.796789 O\n0.338851 0.172604 0.000000 O\n0.050192 0.844897 0.796789 O\n0.447667 0.440348 0.701639 O\n0.661149 0.672604 0.000000 O\n",
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{
"id": "jvasp-21262",
"created_at": "2022-09-04T14:38:09.477803Z",
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"structure_string": "Ti4 Cd4 O12\n1.0\n5.348210 0.000000 0.000000\n0.000000 5.470295 0.000000\n0.000000 0.000000 7.740806\nTi Cd O\n4 4 12\ndirect\n0.499279 0.007809 0.507229 Ti\n0.500721 0.992192 0.007229 Ti\n0.000721 0.507809 0.507229 Ti\n0.999279 0.492192 0.007229 Ti\n0.509466 0.461913 0.755611 Cd\n0.490534 0.538088 0.255611 Cd\n0.990534 0.961913 0.755611 Cd\n0.009466 0.038088 0.255611 Cd\n0.092481 0.529527 0.744007 O\n0.907519 0.470474 0.244007 O\n0.302997 0.308367 0.042409 O\n0.697003 0.691634 0.542409 O\n0.197003 0.808367 0.042409 O\n0.204667 0.783977 0.445846 O\n0.295333 0.283977 0.445846 O\n0.704667 0.716024 0.945846 O\n0.592481 0.970475 0.244007 O\n0.795333 0.216024 0.945846 O\n0.802997 0.191634 0.542409 O\n0.407519 0.029526 0.744007 O\n",
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{
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"created_at": "2022-09-04T14:37:51.345007Z",
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"structure_string": "Ti2 Cd1 O6\n1.0\n-0.000089 0.000154 -4.539476\n-2.609460 -4.519611 0.000099\n-2.609367 4.519557 -0.000197\nTi Cd O\n2 1 6\ndirect\n0.500001 0.666662 0.333331 Ti\n0.500001 0.333339 0.666670 Ti\n0.000000 0.000000 0.000000 Cd\n0.273314 0.362779 0.362787 O\n0.273313 0.637222 0.000008 O\n0.273297 0.000000 0.637206 O\n0.726688 0.637222 0.637214 O\n0.726687 0.362779 -0.000008 O\n0.726705 0.000001 0.362795 O\n",
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"formula_full": "Ti2 Cd1 O6",
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}