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{
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"structure_string": "Ba4 Ce1 Mn3 O12\n1.0\n5.587071 -0.006444 8.473582\n2.537319 4.977691 8.473582\n-0.010531 -0.006444 10.149721\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282644 0.282644 0.282643 Ba\n0.131081 0.131081 0.131081 Ba\n0.717356 0.717357 0.717356 Ba\n0.868919 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414047 0.414047 0.414046 Mn\n0.585953 0.585954 0.585953 Mn\n0.500000 0.500001 0.499999 Mn\n0.776834 0.311231 0.776834 O\n0.605808 0.605809 0.163399 O\n0.163399 0.605809 0.605808 O\n0.394191 0.394192 0.836600 O\n0.836601 0.394192 0.394191 O\n0.223165 0.223166 0.688769 O\n0.394191 0.836601 0.394191 O\n0.311230 0.776835 0.776834 O\n0.605808 0.163400 0.605808 O\n0.776835 0.776835 0.311230 O\n0.688770 0.223166 0.223165 O\n0.223165 0.688770 0.223165 O\n",
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{
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"created_at": "2022-09-04T14:38:46.877920Z",
"updated_at": "2022-09-04T14:38:46.877944Z",
"structure_string": "Ba4 Ce1 Mn3 O12\n1.0\n5.572066 -0.017523 8.482943\n2.523825 4.967750 8.482943\n-0.028658 -0.017523 10.149258\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282652 0.282652 0.282652 Ba\n0.131081 0.131081 0.131080 Ba\n0.717348 0.717349 0.717347 Ba\n0.868920 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414049 0.414049 0.414048 Mn\n0.585952 0.585952 0.585950 Mn\n0.500000 0.500001 0.499999 Mn\n0.311238 0.776835 0.776833 O\n0.605807 0.605807 0.163399 O\n0.605807 0.163401 0.605806 O\n0.394193 0.394194 0.836599 O\n0.394194 0.836600 0.394192 O\n0.223166 0.223167 0.688762 O\n0.836600 0.394194 0.394192 O\n0.776834 0.311238 0.776833 O\n0.163401 0.605807 0.605806 O\n0.776835 0.776835 0.311236 O\n0.223167 0.688763 0.223165 O\n0.688763 0.223167 0.223165 O\n",
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"formula_full": "Ba4 Ce1 Mn3 O12",
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{
"id": "jvasp-55611",
"created_at": "2022-09-04T14:36:43.704761Z",
"updated_at": "2022-09-04T14:36:43.704781Z",
"structure_string": "Ba8 Cl12 O2\n1.0\n5.028559 -8.709721 0.000000\n5.028559 8.709721 -0.000000\n0.000000 -0.000000 7.532997\nBa Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.068169 Ba\n0.333333 0.666667 0.568169 Ba\n0.389824 0.194911 0.506714 Ba\n0.194911 0.805089 0.006713 Ba\n0.194911 0.389824 0.006713 Ba\n0.805089 0.610177 0.506714 Ba\n0.805089 0.194911 0.506714 Ba\n0.610177 0.805089 0.006713 Ba\n0.289603 0.144802 0.103909 Cl\n0.144802 0.855198 0.603909 Cl\n0.144802 0.289603 0.603909 Cl\n0.855198 0.710397 0.103909 Cl\n0.855198 0.144802 0.103909 Cl\n0.710397 0.855198 0.603909 Cl\n0.057187 0.528593 0.290426 Cl\n0.528593 0.057187 0.790426 Cl\n0.942813 0.471407 0.790426 Cl\n0.471407 0.942813 0.290426 Cl\n0.528593 0.471407 0.790426 Cl\n0.471407 0.528593 0.290426 Cl\n0.666667 0.333333 0.403590 O\n0.333333 0.666667 0.903590 O\n",
"nsites": 22,
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"elements": [
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"volume": 659.8505508773641,
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"formula_full": "Ba8 Cl12 O2",
"formula_reduced": "Ba4Cl6O",
"formula_anonymous": "AB4C6",
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"spacegroup": 186
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{
"id": "jvasp-66283",
"created_at": "2022-09-04T14:36:19.466013Z",
"updated_at": "2022-09-04T14:36:19.466033Z",
"structure_string": "Ba4 Co1 Br1\n1.0\n-0.000000 4.957611 4.957611\n4.957611 0.000000 4.957611\n4.957611 4.957611 0.000000\nBa Co Br\n4 1 1\ndirect\n0.123814 0.625395 0.625395 Ba\n0.625395 0.625395 0.625395 Ba\n0.625395 0.123814 0.625395 Ba\n0.625395 0.625395 0.123814 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Br\n",
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{
"id": "jvasp-64803",
"created_at": "2022-09-04T14:35:56.805885Z",
"updated_at": "2022-09-04T14:35:56.805913Z",
"structure_string": "Ba4 Co1 Cl1\n1.0\n0.000000 4.929847 4.929847\n4.929847 -0.000000 4.929847\n4.929847 4.929847 -0.000000\nBa Co Cl\n4 1 1\ndirect\n0.124116 0.625295 0.625295 Ba\n0.625295 0.625295 0.625295 Ba\n0.625295 0.124116 0.625295 Ba\n0.625295 0.625295 0.124116 Ba\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cl\n",
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{
"id": "jvasp-63908",
"created_at": "2022-09-04T14:35:41.249471Z",
"updated_at": "2022-09-04T14:35:41.249498Z",
"structure_string": "Ba4 Co1 Ge1\n1.0\n-0.000000 4.829496 4.829496\n4.829496 0.000000 4.829496\n4.829496 4.829496 0.000000\nBa Co Ge\n4 1 1\ndirect\n0.124405 0.625199 0.625199 Ba\n0.625199 0.625199 0.625199 Ba\n0.625199 0.124405 0.625199 Ba\n0.625199 0.625199 0.124405 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Ba4 Co1 Ge1",
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"spacegroup": 216
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{
"id": "jvasp-63951",
"created_at": "2022-09-04T14:36:12.045194Z",
"updated_at": "2022-09-04T14:36:12.045223Z",
"structure_string": "Ba4 Co1 Hg1\n1.0\n-0.000000 4.890561 4.890561\n4.890561 -0.000000 4.890561\n4.890561 4.890561 0.000000\nBa Co Hg\n4 1 1\ndirect\n0.126286 0.624571 0.624571 Ba\n0.624571 0.624571 0.624571 Ba\n0.624571 0.126286 0.624571 Ba\n0.624571 0.624571 0.126286 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Hg\n",
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"formula_full": "Ba4 Co1 Hg1",
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{
"id": "jvasp-66328",
"created_at": "2022-09-04T14:35:46.534764Z",
"updated_at": "2022-09-04T14:35:46.534790Z",
"structure_string": "Ba4 Co1 Ir1\n1.0\n0.000000 4.664262 4.664262\n4.664262 0.000000 4.664262\n4.664262 4.664262 -0.000000\nBa Co Ir\n4 1 1\ndirect\n0.123948 0.625350 0.625350 Ba\n0.625350 0.625350 0.625350 Ba\n0.625350 0.123948 0.625350 Ba\n0.625350 0.625350 0.123948 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "jvasp-64033",
"created_at": "2022-09-04T14:36:09.037077Z",
"updated_at": "2022-09-04T14:36:09.037094Z",
"structure_string": "Ba4 Co1 Mo1\n1.0\n-0.000000 4.860409 4.860409\n4.860409 -0.000000 4.860409\n4.860409 4.860409 -0.000000\nBa Co Mo\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Mo\n",
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{
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"created_at": "2022-09-04T14:35:41.427867Z",
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"structure_string": "Ba4 Co1 Os1\n1.0\n0.000000 4.662368 4.662368\n4.662368 0.000000 4.662368\n4.662368 4.662368 0.000000\nBa Co Os\n4 1 1\ndirect\n0.123960 0.625347 0.625347 Ba\n0.625347 0.625347 0.625347 Ba\n0.625347 0.123960 0.625347 Ba\n0.625347 0.625347 0.123960 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Os\n",
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"created_at": "2022-09-04T14:35:45.412811Z",
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"structure_string": "Ba4 Co1 P1\n1.0\n-0.000000 4.780285 4.780285\n4.780285 -0.000000 4.780285\n4.780285 4.780285 -0.000000\nBa Co P\n4 1 1\ndirect\n0.123867 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123867 0.625377 Ba\n0.625377 0.625377 0.123867 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 P\n",
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{
"id": "jvasp-64282",
"created_at": "2022-09-04T14:36:02.500454Z",
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"structure_string": "Ba4 Co1 Pb1\n1.0\n0.000000 4.908906 4.908906\n4.908906 0.000000 4.908906\n4.908906 4.908906 -0.000000\nBa Co Pb\n4 1 1\ndirect\n0.125019 0.624994 0.624994 Ba\n0.624994 0.624994 0.624994 Ba\n0.624994 0.125019 0.624994 Ba\n0.624994 0.624994 0.125019 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Pb\n",
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