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{
"id": "jvasp-114037",
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"updated_at": "2022-09-04T14:38:49.466139Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n0.000000 3.862119 3.862119\n3.862119 0.000000 3.862119\n3.862119 3.862119 -0.000000\nBa Cd Se\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Se\n",
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{
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"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277670 0.000000 0.000000\n0.000000 4.277670 0.000000\n0.000000 0.000000 7.105150\nBa Cd Se\n1 2 1\ndirect\n0.500000 0.500000 0.315513 Ba\n0.000000 0.000000 0.879575 Cd\n0.500000 0.500000 0.833130 Cd\n0.000000 0.000000 0.471782 Se\n",
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{
"id": "jvasp-64184",
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"structure_string": "Ba4 Cd1 Se1\n1.0\n0.000000 4.997938 4.997938\n4.997938 0.000000 4.997938\n4.997938 4.997938 0.000000\nBa Cd Se\n4 1 1\ndirect\n0.121166 0.626278 0.626278 Ba\n0.626278 0.626278 0.626278 Ba\n0.626278 0.121166 0.626278 Ba\n0.626278 0.626278 0.121166 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-88985",
"created_at": "2022-09-04T14:36:12.403728Z",
"updated_at": "2022-09-04T14:36:12.403750Z",
"structure_string": "Ba8 Cd4 Se12\n1.0\n4.528968 0.000000 0.000000\n0.000000 9.320019 0.000000\n0.000000 0.000000 18.039943\nBa Cd Se\n8 4 12\ndirect\n0.750000 0.575219 0.285460 Ba\n0.750000 0.075219 0.214540 Ba\n0.250000 0.924781 0.785460 Ba\n0.750000 0.740821 0.539699 Ba\n0.250000 0.759179 0.039699 Ba\n0.750000 0.240821 0.960301 Ba\n0.250000 0.259179 0.460301 Ba\n0.250000 0.424781 0.714540 Ba\n0.250000 0.874490 0.366451 Cd\n0.250000 0.374490 0.133549 Cd\n0.750000 0.125510 0.633549 Cd\n0.750000 0.625510 0.866451 Cd\n0.250000 0.485143 0.904213 Se\n0.750000 0.189676 0.777902 Se\n0.250000 0.810324 0.222098 Se\n0.750000 0.689676 0.722098 Se\n0.250000 0.115232 0.071969 Se\n0.750000 0.384768 0.571968 Se\n0.250000 0.615232 0.428031 Se\n0.750000 0.014857 0.404213 Se\n0.250000 0.985143 0.595787 Se\n0.750000 0.514857 0.095787 Se\n0.250000 0.310324 0.277902 Se\n0.750000 0.884769 0.928031 Se\n",
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"density": 5.442572046889328,
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"volume": 761.4672173256065,
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"formula_full": "Ba8 Cd4 Se12",
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"spacegroup": 62
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{
"id": "jvasp-114036",
"created_at": "2022-09-04T14:38:47.003622Z",
"updated_at": "2022-09-04T14:38:47.003656Z",
"structure_string": "Ba1 Cd1 Se2\n1.0\n4.412356 0.000000 -0.000000\n0.000000 4.412356 0.000000\n0.000000 0.000000 6.589758\nBa Cd Se\n1 1 2\ndirect\n0.500000 0.500000 0.513270 Ba\n0.000000 0.000000 0.044773 Cd\n0.000000 0.000000 0.451320 Se\n0.500000 0.500000 0.000637 Se\n",
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"formula_full": "Ba1 Cd1 Se2",
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{
"id": "jvasp-69059",
"created_at": "2022-09-04T14:36:15.746089Z",
"updated_at": "2022-09-04T14:36:15.746110Z",
"structure_string": "Ba1 Cd1 Se4\n1.0\n-0.000000 4.282458 4.282458\n4.282458 0.000000 4.282458\n4.282458 4.282458 0.000000\nBa Cd Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Cd\n0.120600 0.626467 0.626467 Se\n0.626467 0.626467 0.626467 Se\n0.626467 0.120600 0.626467 Se\n0.626467 0.626467 0.120600 Se\n",
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"formula_full": "Ba1 Cd1 Se4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
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{
"id": "jvasp-69191",
"created_at": "2022-09-04T14:36:10.826599Z",
"updated_at": "2022-09-04T14:36:10.826613Z",
"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277399 0.000000 0.000000\n0.000000 4.277241 0.000000\n0.000000 0.000000 7.105166\nBa Cd Se\n1 2 1\ndirect\n0.500000 0.500000 0.684530 Ba\n0.000000 0.000000 0.120295 Cd\n0.500000 0.500000 0.167015 Cd\n0.000000 0.000000 0.528161 Se\n",
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"formula_full": "Ba1 Cd2 Se1",
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"spacegroup": 99
},
{
"id": "jvasp-66578",
"created_at": "2022-09-04T14:35:57.051452Z",
"updated_at": "2022-09-04T14:35:57.051477Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n0.000000 3.857573 3.857573\n3.857573 -0.000000 3.857573\n3.857573 3.857573 -0.000000\nBa Cd Se\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "jvasp-68970",
"created_at": "2022-09-04T14:35:56.465124Z",
"updated_at": "2022-09-04T14:35:56.465150Z",
"structure_string": "Ba1 Cd2 Se1\n1.0\n4.277225 0.000000 0.000000\n0.000000 4.277225 0.000000\n0.000000 -0.000000 7.105124\nBa Cd Se\n1 2 1\ndirect\n0.499999 0.499999 0.684527 Ba\n0.000000 0.000000 0.120314 Cd\n0.499999 0.499999 0.166954 Cd\n0.000000 0.000000 0.528203 Se\n",
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"formula_full": "Ba1 Cd2 Se1",
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},
{
"id": "jvasp-64165",
"created_at": "2022-09-04T14:36:13.542724Z",
"updated_at": "2022-09-04T14:36:13.542749Z",
"structure_string": "Ba4 Cd1 Si1\n1.0\n-0.000000 4.964181 4.964181\n4.964181 0.000000 4.964181\n4.964181 4.964181 -0.000000\nBa Cd Si\n4 1 1\ndirect\n0.121672 0.626109 0.626109 Ba\n0.626109 0.626109 0.626109 Ba\n0.626109 0.121672 0.626109 Ba\n0.626109 0.626109 0.121672 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "jvasp-105117",
"created_at": "2022-09-04T14:36:49.380069Z",
"updated_at": "2022-09-04T14:36:49.380089Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n5.177059 -0.000000 2.988977\n1.725686 4.880978 2.988977\n-0.000000 -0.000000 5.977953\nBa Cd Sn\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
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{
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"structure_string": "Ba4 Cd1 Sn1\n1.0\n-0.000000 5.033719 5.033719\n5.033719 -0.000000 5.033719\n5.033719 5.033719 -0.000000\nBa Cd Sn\n4 1 1\ndirect\n0.121970 0.626010 0.626010 Ba\n0.626010 0.626010 0.626010 Ba\n0.626010 0.121970 0.626010 Ba\n0.626010 0.626010 0.121970 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Sn\n",
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