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{
"id": "mp-1014231",
"created_at": "2022-09-04T14:39:07.701891Z",
"structure_string": "Hf2 Zn1\n1.0\n-1.627430 1.627430 5.631676\n1.627430 -1.627430 5.631676\n1.627430 1.627430 -5.631676\nHf Zn\n2 1\ndirect\n0.659030 0.659030 0.000000 Hf\n0.340970 0.340970 0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n",
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{
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"spacegroup": 15
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{
"id": "mp-1195832",
"created_at": "2022-09-04T14:39:09.570201Z",
"structure_string": "Si2 H24 N8 F8\n1.0\n-3.617686 -4.090106 0.000000\n-3.617686 4.090106 0.000000\n0.000000 0.000000 -13.679973\nSi H N F\n2 24 8 8\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.643768 0.127375 0.428662 H\n0.127375 0.643768 0.571338 H\n0.627375 0.143768 0.928662 H\n0.143768 0.627375 0.071338 H\n0.356232 0.872625 0.571338 H\n0.872625 0.356232 0.428662 H\n0.372625 0.856232 0.071338 H\n0.856232 0.372625 0.928662 H\n0.653423 0.346577 0.341328 H\n0.346577 0.653423 0.658672 H\n0.846577 0.153423 0.841328 H\n0.153423 0.846577 0.158672 H\n0.720107 0.279893 0.169057 H\n0.279893 0.720107 0.830943 H\n0.779893 0.220107 0.669057 H\n0.220107 0.779893 0.330943 H\n0.661664 0.563350 0.184493 H\n0.563350 0.661664 0.815507 H\n0.063350 0.161664 0.684493 H\n0.161664 0.063350 0.315507 H\n0.338336 0.436650 0.815507 H\n0.436650 0.338336 0.184493 H\n0.936650 0.838336 0.315507 H\n0.838336 0.936650 0.684493 H\n0.685644 0.314356 0.416568 N\n0.314356 0.685644 0.583432 N\n0.814356 0.185644 0.916568 N\n0.185644 0.814356 0.083432 N\n0.613241 0.386759 0.207880 N\n0.386759 0.613241 0.792120 N\n0.886759 0.113241 0.707880 N\n0.113241 0.886759 0.292120 N\n0.419919 0.243686 0.572020 F\n0.243686 0.419919 0.427980 F\n0.743686 0.919919 0.072019 F\n0.919919 0.743686 0.927980 F\n0.580081 0.756314 0.427980 F\n0.756314 0.580081 0.572020 F\n0.256314 0.080081 0.927980 F\n0.080081 0.256314 0.072019 F\n",
"nsites": 42,
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"formula_full": "Si2 H24 N8 F8",
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{
"id": "mp-1208879",
"created_at": "2022-09-04T14:39:08.159223Z",
"structure_string": "Sn4 I4 Br4\n1.0\n4.440328 0.000000 0.000000\n0.000000 8.916859 0.000000\n0.000000 0.000000 11.599044\nSn I Br\n4 4 4\ndirect\n0.250000 0.622228 0.647130 Sn\n0.750000 0.377772 0.352870 Sn\n0.750000 0.877772 0.147130 Sn\n0.250000 0.122228 0.852870 Sn\n0.250000 0.510572 0.194227 I\n0.750000 0.489428 0.805773 I\n0.750000 0.989428 0.694227 I\n0.250000 0.010572 0.305773 I\n0.250000 0.837641 0.957259 Br\n0.750000 0.162359 0.042741 Br\n0.750000 0.662359 0.457259 Br\n0.250000 0.337641 0.542741 Br\n",
"nsites": 12,
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"density": 4.707990493394014,
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"volume": 459.2499811486958,
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"formula_full": "Sn4 I4 Br4",
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"spacegroup": 62
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{
"id": "mp-6961",
"created_at": "2022-09-04T14:39:09.444455Z",
"structure_string": "Sr1 Sb2 Pd2\n1.0\n-2.346007 2.346007 5.537326\n2.346007 -2.346007 5.537326\n2.346007 2.346007 -5.537326\nSr Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.367919 0.367919 0.000000 Sb\n0.632081 0.632081 0.000000 Sb\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
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"volume": 121.90420628648992,
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"formula_full": "Sr1 Sb2 Pd2",
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"formula_anonymous": "AB2C2",
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"updated_at": "2021-11-28T01:34:35.778000Z",
"spacegroup": 139
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{
"id": "mp-1245367",
"created_at": "2022-09-04T14:39:09.448556Z",
"structure_string": "Na16 Mo16 N32\n1.0\n5.656099 0.000000 0.000000\n0.000000 11.244832 0.000000\n0.000000 0.000000 15.519688\nNa Mo N\n16 16 32\ndirect\n0.279274 0.999499 0.443731 Na\n0.779274 0.500501 0.556269 Na\n0.720726 0.499499 0.056269 Na\n0.220726 0.000501 0.943731 Na\n0.720726 0.000501 0.556269 Na\n0.220726 0.499499 0.443731 Na\n0.279274 0.500501 0.943731 Na\n0.779274 0.999499 0.056269 Na\n0.234551 0.277245 0.314226 Na\n0.734551 0.222755 0.685774 Na\n0.765449 0.777245 0.185774 Na\n0.265449 0.722755 0.814226 Na\n0.765449 0.722755 0.685774 Na\n0.265449 0.777245 0.314226 Na\n0.234551 0.222755 0.814226 Na\n0.734551 0.277245 0.185774 Na\n0.787782 0.020690 0.308488 Mo\n0.287782 0.479310 0.691512 Mo\n0.212218 0.520690 0.191512 Mo\n0.712218 0.979310 0.808488 Mo\n0.212218 0.979310 0.691512 Mo\n0.712218 0.520690 0.308488 Mo\n0.787782 0.479310 0.808488 Mo\n0.287782 0.020690 0.191512 Mo\n0.727324 0.271612 0.432136 Mo\n0.227324 0.228388 0.567864 Mo\n0.272676 0.771612 0.067864 Mo\n0.772676 0.728388 0.932136 Mo\n0.272676 0.728388 0.567864 Mo\n0.772676 0.771612 0.432136 Mo\n0.727324 0.228388 0.932136 Mo\n0.227324 0.271612 0.067864 Mo\n0.997547 0.311385 0.503349 N\n0.497547 0.188615 0.496651 N\n0.002453 0.811385 0.996651 N\n0.502453 0.688615 0.003349 N\n0.002453 0.688615 0.496651 N\n0.502453 0.811385 0.503349 N\n0.997547 0.188615 0.003349 N\n0.497547 0.311385 0.996651 N\n0.592988 0.418399 0.397226 N\n0.092988 0.081601 0.602774 N\n0.407012 0.918399 0.102774 N\n0.907012 0.581601 0.897226 N\n0.407012 0.581601 0.602774 N\n0.907012 0.918399 0.397226 N\n0.592988 0.081601 0.897226 N\n0.092988 0.418399 0.102774 N\n0.834633 0.185602 0.333408 N\n0.334633 0.314398 0.666592 N\n0.165367 0.685602 0.166592 N\n0.665367 0.814398 0.833408 N\n0.165367 0.814398 0.666592 N\n0.665367 0.685602 0.333408 N\n0.834633 0.314398 0.833408 N\n0.334633 0.185602 0.166592 N\n0.541547 0.488903 0.204753 N\n0.041547 0.011097 0.795247 N\n0.458453 0.988903 0.295247 N\n0.958453 0.511097 0.704753 N\n0.458453 0.511097 0.795247 N\n0.958453 0.988903 0.204753 N\n0.541547 0.011097 0.704753 N\n0.041547 0.488903 0.295247 N\n",
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{
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"structure_string": "Nd2 Cd4 Pd2\n1.0\n2.152576 -5.098559 0.000000\n2.152576 5.098559 0.000000\n0.000000 0.000000 8.462938\nNd Cd Pd\n2 4 2\ndirect\n0.934841 0.065159 0.250000 Nd\n0.065159 0.934841 0.750000 Nd\n0.643797 0.356203 0.450980 Cd\n0.356203 0.643797 0.549020 Cd\n0.643797 0.356203 0.049020 Cd\n0.356203 0.643797 0.950980 Cd\n0.223551 0.776449 0.250000 Pd\n0.776449 0.223551 0.750000 Pd\n",
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"formula_full": "Nd2 Cd4 Pd2",
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{
"id": "mp-1521652",
"created_at": "2022-09-04T14:39:08.161701Z",
"structure_string": "Ba1 Na1 Pr1 Sb1 O6\n1.0\n-0.000000 -4.339917 -4.339917\n4.339917 -0.000000 -4.339917\n4.339917 -4.339917 -0.000000\nBa Na Pr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n0.730537 0.269463 0.269463 O\n0.269463 0.730537 0.730537 O\n0.730537 0.269463 0.730537 O\n0.269463 0.730537 0.269463 O\n0.730537 0.730537 0.269463 O\n0.269463 0.269463 0.730537 O\n",
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"formula_full": "Ba1 Na1 Pr1 Sb1 O6",
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{
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"elements": [
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"formula_full": "Rb10 B38 O62",
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"updated_at": "2021-11-28T01:34:41.458000Z",
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},
{
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"formula_full": "Rb2",
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{
"id": "mp-1220678",
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"structure_string": "Nb2 Pd1\n1.0\n0.000000 2.148206 6.530934\n1.833177 0.000000 6.530934\n1.833177 2.148206 0.000000\nNb Pd\n2 1\ndirect\n0.336788 0.336788 0.663212 Nb\n0.663212 0.663212 0.336788 Nb\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-1218499",
"created_at": "2022-09-04T14:39:11.589598Z",
"structure_string": "Sr3 La1 Ta3 O12\n1.0\n9.315356 -2.843560 0.000000\n9.315356 2.843560 0.000000\n8.447345 0.000000 4.848099\nSr La Ta O\n3 1 3 12\ndirect\n0.138345 0.138345 0.138345 Sr\n0.713581 0.713581 0.713581 Sr\n0.285959 0.285959 0.285959 Sr\n0.855992 0.855992 0.855992 La\n0.576976 0.576976 0.576976 Ta\n0.423032 0.423032 0.423032 Ta\n0.000135 0.000135 0.000135 Ta\n0.792732 0.792732 0.293163 O\n0.293163 0.792732 0.792732 O\n0.792732 0.293163 0.792732 O\n0.209257 0.209257 0.705742 O\n0.705742 0.209257 0.209257 O\n0.209257 0.705742 0.209257 O\n0.374850 0.374850 0.882743 O\n0.882743 0.374850 0.374850 O\n0.374850 0.882743 0.374850 O\n0.627389 0.627389 0.115878 O\n0.115878 0.627389 0.627389 O\n0.627389 0.115878 0.627389 O\n",
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]
}