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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-115829",
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"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",
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{
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"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_anonymous": "ABC6",
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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",
"nsites": 4,
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"volume": 81.39065567771829,
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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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{
"id": "jvasp-18201",
"created_at": "2022-09-04T14:38:16.010203Z",
"updated_at": "2022-09-04T14:38:16.010242Z",
"structure_string": "Ti1 Cd1 O3\n1.0\n4.073194 0.000000 0.000000\n-0.000000 4.073194 -0.000000\n0.000000 -0.000000 4.073194\nTi Cd O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Cd\n0.499999 0.000000 0.000000 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.499999 O\n",
"nsites": 5,
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"formula_full": "Ti1 Cd1 O3",
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"spacegroup": 221
},
{
"id": "jvasp-21262",
"created_at": "2022-09-04T14:38:09.477803Z",
"updated_at": "2022-09-04T14:38:09.477816Z",
"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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"density": 6.108623403588101,
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"formula_full": "Ti4 Cd4 O12",
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"spacegroup": 33
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{
"id": "jvasp-49202",
"created_at": "2022-09-04T14:37:19.025326Z",
"updated_at": "2022-09-04T14:37:19.025357Z",
"structure_string": "Ti4 Cd4 O12\n1.0\n5.352865 0.000000 0.000000\n-0.000000 5.466622 0.000000\n0.000000 0.000000 7.694206\nTi Cd O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.008359 0.961077 0.750000 Cd\n0.508360 0.538922 0.250000 Cd\n0.491641 0.461077 0.750000 Cd\n0.991641 0.038922 0.250000 Cd\n0.590655 0.028721 0.750000 O\n0.090655 0.471278 0.250000 O\n0.700187 0.296943 0.047392 O\n0.200187 0.203057 0.952608 O\n0.799814 0.796942 0.452608 O\n0.200187 0.203057 0.547392 O\n0.299814 0.703057 0.952608 O\n0.799814 0.796942 0.047392 O\n0.409346 0.971278 0.250000 O\n0.700187 0.296943 0.452608 O\n0.299814 0.703057 0.547392 O\n0.909346 0.528721 0.750000 O\n",
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{
"id": "jvasp-36602",
"created_at": "2022-09-04T14:37:17.902991Z",
"updated_at": "2022-09-04T14:37:17.903002Z",
"structure_string": "Ti1 Cd1 O3\n1.0\n3.877582 -0.000000 0.000000\n-0.000000 3.877582 -0.000000\n0.000000 -0.000000 3.877582\nTi Cd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "jvasp-11135",
"created_at": "2022-09-04T14:36:52.021148Z",
"updated_at": "2022-09-04T14:36:52.021178Z",
"structure_string": "Ti2 Cd2 O6\n1.0\n4.717232 -0.006001 3.466818\n1.751216 4.380133 3.466818\n-0.008875 -0.006001 5.854146\nTi Cd O\n2 2 6\ndirect\n0.850562 0.850561 0.850562 Ti\n0.149439 0.149439 0.149439 Ti\n0.636123 0.636122 0.636123 Cd\n0.363878 0.363878 0.363878 Cd\n0.804358 0.437279 0.036442 O\n0.437279 0.036442 0.804358 O\n0.036443 0.804358 0.437279 O\n0.195643 0.562721 0.963558 O\n0.963558 0.195642 0.562722 O\n0.562722 0.963558 0.195642 O\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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"formula_full": "Ti4 Cd4 O12",
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{
"id": "jvasp-81806",
"created_at": "2022-09-04T14:37:18.337493Z",
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"structure_string": "Ti1 Cd1 Rh2\n1.0\n-10.866987 2.147798 -2.766718\n-7.657841 1.157757 0.511059\n-6.779777 3.641300 -1.009793\nTi Cd Rh\n1 1 2\ndirect\n1.000000 -0.000001 0.000000 Ti\n0.500000 -0.000000 0.000000 Cd\n0.688511 0.042348 0.042348 Rh\n0.311490 -0.042348 -0.042348 Rh\n",
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}