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"results": [
{
"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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{
"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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"formula_full": "Ti2 Cd2 O6",
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"spacegroup": 148
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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",
"nsites": 20,
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"volume": 226.13599770233455,
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"formula_full": "Ti4 Cd4 O12",
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"formula_anonymous": "ABC3",
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"spacegroup": 26
},
{
"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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"elements": [
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"Hg"
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"density": 11.454913779621236,
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"formula_full": "Ti1 Cd1 Hg2",
"formula_reduced": "TiCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"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",
"nsites": 4,
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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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"density": 4.06271404763146,
"density_atomic": 0.07136435450289277,
"volume": 112.10078274687845,
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"formula_full": "Ti1 Cd1 F6",
"formula_reduced": "TiCdF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"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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"density": 4.668104383499124,
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"volume": 77.28847151355433,
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"formula_full": "Ti1 Cd1 F3",
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"formula_anonymous": "ABC3",
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"spacegroup": 8
},
{
"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",
"nsites": 3,
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"volume": 59.40342485763521,
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"formula_full": "Ti1 Cd1 F1",
"formula_reduced": "TiCdF",
"formula_anonymous": "ABC",
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"spacegroup": 99
},
{
"id": "jvasp-80906",
"created_at": "2022-09-04T14:37:09.836656Z",
"updated_at": "2022-09-04T14:37:09.836680Z",
"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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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-18656",
"created_at": "2022-09-04T14:35:57.283740Z",
"updated_at": "2022-09-04T14:35:57.283764Z",
"structure_string": "Ti2 Cd2\n1.0\n2.897617 0.000000 0.000000\n-0.000000 2.897617 0.000000\n0.000000 0.000000 9.024596\nTi Cd\n2 2\ndirect\n0.500001 0.000000 0.391645 Ti\n0.000000 0.500001 0.608356 Ti\n0.500001 0.000000 0.864132 Cd\n0.000000 0.500001 0.135868 Cd\n",
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{
"id": "jvasp-114151",
"created_at": "2022-09-04T14:38:40.483578Z",
"updated_at": "2022-09-04T14:38:40.483604Z",
"structure_string": "Ti1 C2\n1.0\n3.678272 0.000000 0.000000\n-1.839136 3.185477 0.000000\n-0.000000 -0.000000 3.247939\nTi C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.000000 C\n0.666667 0.333334 0.000000 C\n",
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},
{
"id": "jvasp-18916",
"created_at": "2022-09-04T14:36:18.459360Z",
"updated_at": "2022-09-04T14:36:18.459374Z",
"structure_string": "Ti1 C1\n1.0\n2.656819 0.000000 1.533915\n0.885607 2.504873 1.533915\n-0.000000 -0.000000 3.067830\nTi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.499998 C\n",
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