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{
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{
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{
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"structure_string": "Ba2 Y2 Si8 N14\n1.0\n3.052727 -5.287478 0.000000\n3.052727 5.287478 0.000000\n0.000000 0.000000 9.944321\nBa Y Si N\n2 2 8 14\ndirect\n0.333333 0.666667 0.362906 Ba\n0.666667 0.333333 0.862906 Ba\n0.333333 0.666667 0.736243 Y\n0.666667 0.333333 0.236243 Y\n0.825612 0.651223 0.546072 Si\n0.174388 0.825612 0.046072 Si\n0.651223 0.825612 0.046072 Si\n0.348777 0.174388 0.546072 Si\n0.825612 0.174388 0.546072 Si\n0.174388 0.348777 0.046072 Si\n0.000000 0.000000 0.814834 Si\n0.000000 0.000000 0.314834 Si\n0.000000 0.000000 0.623712 N\n0.000000 0.000000 0.123712 N\n0.152552 0.305104 0.874130 N\n0.847448 0.152552 0.374130 N\n0.305104 0.152552 0.374130 N\n0.694896 0.847448 0.874130 N\n0.152552 0.847448 0.874130 N\n0.847448 0.694896 0.374130 N\n0.975057 0.487529 0.598533 N\n0.487529 0.975057 0.098533 N\n0.487529 0.512471 0.098533 N\n0.512471 0.487529 0.598533 N\n0.024943 0.512471 0.098533 N\n0.512471 0.024943 0.598533 N\n",
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"formula_full": "Ba2 Y2 Si8 N14",
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},
{
"id": "mp-29060",
"created_at": "2022-09-04T14:40:14.350645Z",
"structure_string": "Ba20 Si8 N24\n1.0\n6.225961 0.000000 0.000000\n0.000000 10.537244 0.000000\n0.000000 0.000000 15.517376\nBa Si N\n20 8 24\ndirect\n0.343137 0.537241 0.818419 Ba\n0.843137 0.962759 0.181581 Ba\n0.656863 0.037241 0.681581 Ba\n0.156863 0.462759 0.318419 Ba\n0.408026 0.865769 0.009254 Ba\n0.908026 0.634231 0.990746 Ba\n0.591974 0.365769 0.490746 Ba\n0.091974 0.134231 0.509254 Ba\n0.426037 0.473893 0.099567 Ba\n0.926037 0.026107 0.900433 Ba\n0.573963 0.973893 0.400433 Ba\n0.073963 0.526107 0.599567 Ba\n0.422629 0.206948 0.934812 Ba\n0.922629 0.293052 0.065188 Ba\n0.577371 0.706948 0.565188 Ba\n0.077371 0.793052 0.434812 Ba\n0.669398 0.258798 0.268782 Ba\n0.169398 0.241202 0.731218 Ba\n0.330602 0.758798 0.231218 Ba\n0.830602 0.741202 0.768782 Ba\n0.191956 0.135270 0.305283 Si\n0.691956 0.364730 0.694717 Si\n0.808044 0.635270 0.194717 Si\n0.308044 0.864730 0.805283 Si\n0.309051 0.120265 0.147071 Si\n0.809051 0.379735 0.852929 Si\n0.690949 0.620265 0.352929 Si\n0.190949 0.879735 0.647071 Si\n0.048174 0.573773 0.150669 N\n0.548174 0.926227 0.849331 N\n0.951826 0.073773 0.349331 N\n0.451826 0.426227 0.650669 N\n0.945935 0.819319 0.607161 N\n0.445935 0.680681 0.392839 N\n0.054065 0.319319 0.892839 N\n0.554065 0.180681 0.107161 N\n0.145510 0.978799 0.742835 N\n0.645510 0.521201 0.257165 N\n0.854490 0.478799 0.757165 N\n0.354490 0.021201 0.242835 N\n0.147898 0.057823 0.063619 N\n0.647898 0.442177 0.936381 N\n0.852102 0.557823 0.436381 N\n0.352102 0.942177 0.563619 N\n0.156384 0.235166 0.212249 N\n0.656384 0.264834 0.787751 N\n0.843616 0.735166 0.287751 N\n0.343616 0.764834 0.712249 N\n0.148341 0.790464 0.885230 N\n0.648341 0.709536 0.114770 N\n0.851659 0.290464 0.614770 N\n0.351659 0.209536 0.385230 N\n",
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"volume": 1018.0092312420492,
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"formula_full": "Ba20 Si8 N24",
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"updated_at": "2021-11-28T01:34:53.316000Z",
"spacegroup": 19
},
{
"id": "mp-567771",
"created_at": "2022-09-04T14:43:37.856549Z",
"structure_string": "Ba1 Si6 N8\n1.0\n-2.435808 3.996069 4.712417\n2.435808 -3.996069 4.712417\n2.435808 3.996069 -4.712417\nBa Si N\n1 6 8\ndirect\n0.000000 0.166192 0.166192 Ba\n0.540667 0.491373 0.353013 Si\n0.459333 0.812345 0.950705 Si\n0.861640 0.812345 0.353013 Si\n0.138360 0.491373 0.950705 Si\n0.628261 0.275619 0.647357 Si\n0.371739 0.019096 0.647357 Si\n0.318045 0.620032 0.301987 N\n0.118562 0.098520 0.620725 N\n0.881438 0.502163 0.979958 N\n0.785653 0.707508 0.493160 N\n0.477795 0.098520 0.979958 N\n0.522205 0.502163 0.620725 N\n0.214347 0.707508 0.921855 N\n0.681955 0.983943 0.301987 N\n",
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"formula_full": "Ba1 Si6 N8",
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},
{
"id": "mp-9711",
"created_at": "2022-09-04T14:48:21.680358Z",
"structure_string": "Ba4 Si10 N16\n1.0\n5.829237 0.000000 0.000000\n0.000000 7.023830 0.000000\n0.000000 0.000000 9.464158\nBa Si N\n4 10 16\ndirect\n0.500000 0.121036 0.131369 Ba\n0.000000 0.878964 0.631369 Ba\n0.500000 0.144440 0.500450 Ba\n0.000000 0.855560 0.000450 Ba\n0.500000 0.600309 0.603609 Si\n0.000000 0.399691 0.103609 Si\n0.500000 0.580752 0.039327 Si\n0.000000 0.419248 0.539327 Si\n0.500000 0.947500 0.822455 Si\n0.000000 0.052500 0.322455 Si\n0.750637 0.335715 0.820916 Si\n0.749363 0.664285 0.320916 Si\n0.249363 0.335715 0.820916 Si\n0.250637 0.664285 0.320916 Si\n0.500000 0.582070 0.229453 N\n0.000000 0.417930 0.729453 N\n0.500000 0.824338 0.664975 N\n0.000000 0.175662 0.164975 N\n0.500000 0.423749 0.735505 N\n0.000000 0.576251 0.235505 N\n0.746729 0.553983 0.493266 N\n0.753271 0.446017 0.993266 N\n0.253271 0.553983 0.493266 N\n0.246729 0.446017 0.993266 N\n0.738260 0.094446 0.830399 N\n0.761740 0.905554 0.330399 N\n0.261740 0.094446 0.830399 N\n0.238260 0.905554 0.330399 N\n0.000000 0.198407 0.470737 N\n0.500000 0.801593 0.970737 N\n",
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{
"id": "mp-29703",
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"structure_string": "Ba2 Si14 N20\n1.0\n6.770190 0.000000 0.000000\n0.000000 6.924720 0.000000\n0.000000 2.701396 9.313606\nBa Si N\n2 14 20\ndirect\n0.594047 0.289397 0.787775 Ba\n0.405953 0.289397 0.287775 Ba\n0.865485 0.995153 0.468295 Si\n0.134515 0.995153 0.968295 Si\n0.871339 0.812407 0.773446 Si\n0.128661 0.812407 0.273446 Si\n0.118617 0.625090 0.577135 Si\n0.881383 0.625090 0.077135 Si\n0.106535 0.438016 0.888171 Si\n0.893465 0.438016 0.388171 Si\n0.124115 0.177972 0.653412 Si\n0.875885 0.177972 0.153412 Si\n0.472905 0.868981 0.632577 Si\n0.527095 0.868981 0.132577 Si\n0.472321 0.685860 0.944358 Si\n0.527679 0.685860 0.444358 Si\n0.915662 0.032451 0.637122 N\n0.084338 0.032451 0.137122 N\n0.888891 0.216581 0.329407 N\n0.111109 0.216581 0.829407 N\n0.922804 0.407353 0.023999 N\n0.077196 0.407353 0.523999 N\n0.000080 0.614023 0.737171 N\n0.999920 0.614023 0.237171 N\n0.036747 0.826517 0.437088 N\n0.963253 0.826517 0.937088 N\n0.617075 0.775198 0.788483 N\n0.382925 0.775198 0.288483 N\n0.341419 0.073978 0.630511 N\n0.658581 0.073978 0.130511 N\n0.333034 0.487171 0.942753 N\n0.666966 0.487171 0.442753 N\n0.367564 0.897091 0.985059 N\n0.632436 0.897091 0.485059 N\n0.630696 0.651202 0.094997 N\n0.369304 0.651202 0.594997 N\n",
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"formula_full": "Ba2 Si14 N20",
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{
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"formula_full": "Ba28 Si4 N24",
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},
{
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"structure_string": "Ba4 Si4 N8\n1.0\n2.828746 -5.796127 0.000000\n2.828746 5.796127 0.000000\n0.000000 0.000000 7.652871\nBa Si N\n4 4 8\ndirect\n0.163635 0.836365 0.563736 Ba\n0.836365 0.163635 0.436264 Ba\n0.336365 0.663635 0.063736 Ba\n0.663635 0.336365 0.936264 Ba\n0.951488 0.048512 0.859747 Si\n0.548512 0.451488 0.359747 Si\n0.048512 0.951488 0.140253 Si\n0.451488 0.548512 0.640253 Si\n0.154602 0.345398 0.750000 N\n0.345398 0.154602 0.250000 N\n0.845398 0.654602 0.250000 N\n0.654602 0.845398 0.750000 N\n0.100818 0.899182 0.920201 N\n0.600818 0.399182 0.579799 N\n0.399182 0.600818 0.420201 N\n0.899182 0.100818 0.079799 N\n",
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"formula_full": "Ba4 Si4 N8",
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},
{
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