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{
"id": "jvasp-46065",
"created_at": "2022-09-04T14:38:10.636276Z",
"updated_at": "2022-09-04T14:38:10.636292Z",
"structure_string": "K8 Mg8 O12\n1.0\n6.443983 -0.000000 -0.000000\n-0.000000 6.443983 -0.000000\n-0.000000 0.000000 10.306069\nK Mg O\n8 8 12\ndirect\n0.932411 0.735835 0.360195 K\n0.264165 0.067589 0.139805 K\n0.235835 0.567589 0.610195 K\n0.567589 0.235835 0.389805 K\n0.432411 0.764165 0.889805 K\n0.764165 0.432411 0.110195 K\n0.735835 0.932411 0.639805 K\n0.067589 0.264165 0.860195 K\n0.072138 0.222335 0.382513 Mg\n0.777664 0.927862 0.117487 Mg\n0.427862 0.722335 0.367487 Mg\n0.722335 0.427862 0.632513 Mg\n0.277665 0.572138 0.132513 Mg\n0.222335 0.072138 0.617487 Mg\n0.927862 0.777664 0.882513 Mg\n0.572138 0.277665 0.867487 Mg\n0.618670 0.618670 0.500000 O\n0.970405 0.263170 0.565587 O\n0.381329 0.381329 0.000000 O\n0.236830 0.470405 0.315587 O\n0.263170 0.970405 0.434414 O\n0.118671 0.881329 0.750000 O\n0.529595 0.763170 0.184414 O\n0.470405 0.236830 0.684414 O\n0.881329 0.118671 0.250000 O\n0.736830 0.029595 0.934414 O\n0.763170 0.529595 0.815587 O\n0.029595 0.736830 0.065587 O\n",
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{
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"structure_string": "In2 Ni3 S2\n1.0\n4.715493 -0.019030 2.839566\n1.595500 4.437412 2.839566\n-0.027181 -0.019030 5.504387\nIn Ni S\n2 3 2\ndirect\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 0.000001 Ni\n0.000000 0.500000 0.000000 Ni\n0.000000 -0.000000 0.500000 Ni\n0.722444 0.722444 0.722446 S\n0.277556 0.277556 0.277557 S\n",
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{
"id": "jvasp-46786",
"created_at": "2022-09-04T14:38:10.255246Z",
"updated_at": "2022-09-04T14:38:10.255265Z",
"structure_string": "Mn6 O4 F4\n1.0\n0.000000 5.746452 -0.023242\n5.928382 0.000000 0.000000\n0.000000 -2.838885 -5.376525\nMn O F\n6 4 4\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.716443 0.933598 0.345624 Mn\n0.783555 0.433598 0.654374 Mn\n0.216443 0.566401 0.345625 Mn\n0.283555 0.066401 0.654374 Mn\n0.578730 0.619359 0.338409 O\n0.921267 0.119359 0.661590 O\n0.078731 0.880641 0.338409 O\n0.421268 0.380641 0.661590 O\n0.905822 0.346468 0.115145 F\n0.405823 0.153532 0.115145 F\n0.594175 0.846468 0.884854 F\n0.094176 0.653531 0.884854 F\n",
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"volume": 183.55411413914425,
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"formula_full": "Mn6 O4 F4",
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{
"id": "jvasp-46396",
"created_at": "2022-09-04T14:38:09.530023Z",
"updated_at": "2022-09-04T14:38:09.530039Z",
"structure_string": "Na4 Mn4 O6\n1.0\n0.000000 5.691439 0.056448\n6.299065 0.000000 0.000000\n0.000000 -2.691217 -5.527442\nNa Mn O\n4 4 6\ndirect\n0.064780 0.362670 0.758451 Na\n0.564780 0.137330 0.758451 Na\n0.435219 0.862670 0.241549 Na\n0.935219 0.637331 0.241548 Na\n0.480320 0.621182 0.697986 Mn\n0.019679 0.121182 0.302013 Mn\n0.980320 0.878819 0.697986 Mn\n0.519679 0.378818 0.302013 Mn\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.241668 0.879108 0.552817 O\n0.258331 0.379108 0.447182 O\n0.741668 0.620893 0.552817 O\n0.758331 0.120893 0.447182 O\n",
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"volume": 197.20599423836163,
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"formula_full": "Na4 Mn4 O6",
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{
"id": "jvasp-5371",
"created_at": "2022-09-04T14:38:14.710380Z",
"updated_at": "2022-09-04T14:38:14.710405Z",
"structure_string": "S6 N4 Cl4\n1.0\n0.000000 5.434283 0.170331\n8.647902 0.000000 0.000000\n0.000000 -1.482107 -6.345107\nS N Cl\n6 4 4\ndirect\n0.675394 0.172166 0.875317 S\n0.117530 0.776843 0.712411 S\n0.152591 0.522998 0.736028 S\n0.324605 0.672166 0.124684 S\n0.847409 0.022998 0.263972 S\n0.882469 0.276844 0.287590 S\n0.247419 0.514122 0.983103 N\n0.254563 0.804189 0.958352 N\n0.745436 0.304190 0.041649 N\n0.752580 0.014122 0.016898 N\n0.499158 0.989468 0.405467 Cl\n0.500841 0.489469 0.594534 Cl\n0.892580 0.647412 0.284300 Cl\n0.107419 0.147412 0.715701 Cl\n",
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"created_at": "2022-09-04T14:37:16.111441Z",
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"structure_string": "Sr3 Al2 Si2\n1.0\n4.126266 -0.000000 -0.857079\n-0.241644 4.676666 -1.163358\n-0.048318 0.027786 10.128538\nSr Al Si\n3 2 2\ndirect\n0.500000 0.000000 -0.000000 Sr\n0.814573 0.814573 0.629145 Sr\n0.185429 0.185429 0.370856 Sr\n0.066993 0.566993 0.133986 Al\n0.933009 0.433009 0.866014 Al\n0.640085 0.640084 0.280168 Si\n0.359917 0.359917 0.719832 Si\n",
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"formula_full": "Sr3 Al2 Si2",
"formula_reduced": "Sr3(AlSi)2",
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"spacegroup": 71
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{
"id": "jvasp-10141",
"created_at": "2022-09-04T14:37:10.371516Z",
"updated_at": "2022-09-04T14:37:10.371529Z",
"structure_string": "Hg6 S4 F4\n1.0\n6.725481 0.000000 -2.377816\n-3.362740 5.824438 -2.377816\n-0.000000 -0.000000 7.133450\nHg S F\n6 4 4\ndirect\n0.750000 0.921507 0.171506 Hg\n0.328494 0.250000 0.578493 Hg\n0.578494 0.328494 0.250000 Hg\n0.171507 0.750000 0.921506 Hg\n0.921506 0.171507 0.749999 Hg\n0.250000 0.578494 0.328493 Hg\n0.919924 0.500000 -0.000001 S\n0.500000 0.000000 0.919924 S\n0.580076 0.580076 0.580075 S\n0.000000 0.919925 0.500000 S\n0.431963 0.500000 -0.000000 F\n0.500000 0.000000 0.431962 F\n0.000000 0.431963 0.500000 F\n0.068037 0.068037 0.068037 F\n",
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"formula_full": "Hg6 S4 F4",
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{
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"created_at": "2022-09-04T14:37:11.233375Z",
"updated_at": "2022-09-04T14:37:11.233394Z",
"structure_string": "Tl2 Ni3 S2\n1.0\n4.825805 -0.011051 2.935257\n1.644832 4.536852 2.935257\n-0.015800 -0.011051 5.648352\nTl Ni S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Tl\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.000001 Ni\n0.499999 0.000000 0.500000 Ni\n0.772594 0.772595 0.772596 S\n0.227405 0.227405 0.227405 S\n",
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{
"id": "jvasp-57760",
"created_at": "2022-09-04T14:37:10.160077Z",
"updated_at": "2022-09-04T14:37:10.160096Z",
"structure_string": "Cu4 Ag4 O6\n1.0\n5.369980 0.000000 -2.590306\n-1.249481 5.222593 -2.590306\n-0.024034 -0.030462 6.811598\nCu Ag O\n4 4 6\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 -0.000001 Cu\n0.000000 0.500000 0.500000 Cu\n-0.000000 0.500000 -0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.625000 0.375000 0.249999 O\n0.375001 0.625000 0.750000 O\n0.613809 0.863808 0.227616 O\n0.863809 0.613808 0.727617 O\n0.136192 0.386191 0.272383 O\n0.386192 0.136192 0.772383 O\n",
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{
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"created_at": "2022-09-04T14:37:10.683772Z",
"updated_at": "2022-09-04T14:37:10.683797Z",
"structure_string": "Th4 Al4 C6\n1.0\n3.528932 0.000000 0.000000\n0.000000 5.431701 0.000000\n0.000000 -0.000000 11.624182\nTh Al C\n4 4 6\ndirect\n0.500000 0.826626 0.149528 Th\n0.000000 0.326626 0.350472 Th\n0.000000 0.673373 0.649528 Th\n0.500000 0.173373 0.850472 Th\n0.500000 0.816768 0.415162 Al\n0.000000 0.316768 0.084838 Al\n0.500000 0.183232 0.584838 Al\n0.000000 0.683232 0.915161 Al\n0.000000 0.166217 0.686923 C\n0.500000 0.666217 0.813077 C\n0.000000 0.833783 0.313077 C\n0.000000 0.000000 0.000000 C\n0.500000 0.333783 0.186923 C\n0.500000 0.500000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:37:27.580053Z",
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"structure_string": "Y2 Cr2 C3\n1.0\n-0.000000 -3.399507 0.000000\n-4.990917 1.699754 1.441308\n-0.030551 0.000000 -5.556916\nY Cr C\n2 2 3\ndirect\n0.394782 0.789562 0.683260 Y\n0.605220 0.210438 0.316740 Y\n0.156981 0.313961 0.889972 Cr\n0.843022 0.686039 0.110029 Cr\n0.712186 0.424369 0.771598 C\n0.287817 0.575631 0.228403 C\n0.000000 0.000000 0.000000 C\n",
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}
]
}