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{
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"structure_string": "Ba8 Cr16 O56\n1.0\n8.461163 8.287262 0.000000\n-8.461163 8.287262 0.000000\n0.000000 0.602791 9.608102\nBa Cr O\n8 16 56\ndirect\n0.460332 0.539668 0.250000 Ba\n0.539668 0.460332 0.750000 Ba\n0.042559 0.957441 0.250000 Ba\n0.957441 0.042559 0.750000 Ba\n0.550589 0.039714 0.717951 Ba\n0.960286 0.449411 0.782049 Ba\n0.449411 0.960286 0.282049 Ba\n0.039714 0.550589 0.217951 Ba\n0.250650 0.406367 0.502273 Cr\n0.593633 0.749350 0.997727 Cr\n0.749350 0.593633 0.497727 Cr\n0.406367 0.250650 0.002273 Cr\n0.134283 0.252305 0.006028 Cr\n0.747695 0.865717 0.493972 Cr\n0.865717 0.747695 0.993972 Cr\n0.252305 0.134283 0.506028 Cr\n0.906755 0.256170 0.459497 Cr\n0.743830 0.093245 0.040503 Cr\n0.093245 0.743830 0.540503 Cr\n0.256170 0.906755 0.959497 Cr\n0.754049 0.372724 0.061471 Cr\n0.627276 0.245951 0.438529 Cr\n0.245951 0.627276 0.938529 Cr\n0.372724 0.754049 0.561471 Cr\n0.617800 0.574827 0.454109 O\n0.425173 0.382200 0.045891 O\n0.382200 0.425173 0.545891 O\n0.574827 0.617801 0.954109 O\n0.228252 0.500498 0.375957 O\n0.499502 0.771748 0.124043 O\n0.771748 0.499502 0.624043 O\n0.500498 0.228252 0.875957 O\n0.836598 0.583721 0.364068 O\n0.416279 0.163402 0.135932 O\n0.163402 0.416279 0.635932 O\n0.583721 0.836598 0.864068 O\n0.236342 0.272049 0.428815 O\n0.727951 0.763658 0.071185 O\n0.763658 0.727951 0.571185 O\n0.272049 0.236342 0.928815 O\n0.961121 0.763613 0.112399 O\n0.236387 0.038879 0.387601 O\n0.038879 0.236387 0.887601 O\n0.763613 0.961121 0.612399 O\n0.127747 0.380270 0.061440 O\n0.619730 0.872253 0.438560 O\n0.872253 0.619730 0.938560 O\n0.380270 0.127747 0.561440 O\n0.114097 0.160291 0.135163 O\n0.839709 0.885903 0.364837 O\n0.885903 0.839709 0.864837 O\n0.160291 0.114097 0.635163 O\n0.102886 0.743069 0.368818 O\n0.256931 0.897114 0.131182 O\n0.897114 0.256931 0.631182 O\n0.743069 0.102886 0.868818 O\n0.953566 0.131704 0.419177 O\n0.868296 0.046434 0.080823 O\n0.046434 0.868296 0.580823 O\n0.131704 0.953566 0.919177 O\n0.990695 0.358776 0.397890 O\n0.641224 0.009305 0.102110 O\n0.009305 0.641224 0.602110 O\n0.358776 0.990695 0.897890 O\n0.772119 0.279493 0.390743 O\n0.720507 0.227881 0.109257 O\n0.227881 0.720507 0.609257 O\n0.279493 0.772119 0.890743 O\n0.888202 0.402337 0.082370 O\n0.597663 0.111798 0.417630 O\n0.111798 0.597663 0.917630 O\n0.402337 0.888202 0.582370 O\n0.266758 0.608688 0.105853 O\n0.391312 0.733242 0.394147 O\n0.733242 0.391312 0.894147 O\n0.608688 0.266758 0.605853 O\n0.673103 0.454586 0.150416 O\n0.545414 0.326897 0.349584 O\n0.326897 0.545414 0.849584 O\n0.454586 0.673103 0.650416 O\n",
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"formula_full": "Ba8 Cr16 O56",
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"updated_at": "2021-11-28T01:38:41.963000Z",
"spacegroup": 15
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{
"id": "mp-541137",
"created_at": "2022-09-04T14:47:59.369254Z",
"structure_string": "Ba4 Cr8 O16\n1.0\n5.269249 -0.000007 -0.000016\n-0.000009 6.073312 -0.000010\n-0.000037 -0.000020 12.439630\nBa Cr O\n4 8 16\ndirect\n0.866308 0.250003 0.750001 Ba\n0.133166 0.750000 0.250000 Ba\n0.554093 0.250001 0.250002 Ba\n0.445734 0.749997 0.749995 Ba\n0.497372 0.249996 0.505660 Cr\n0.497360 0.250006 0.994351 Cr\n0.502197 0.750001 0.494374 Cr\n0.502190 0.750000 0.005612 Cr\n0.000288 0.499545 0.499981 Cr\n0.000270 0.000454 0.000023 Cr\n0.000280 0.000462 0.499980 Cr\n0.000279 0.499537 0.000019 Cr\n0.832729 0.749999 0.414713 O\n0.832718 0.750002 0.085281 O\n0.167034 0.250003 0.586311 O\n0.167031 0.249997 0.913691 O\n0.168805 0.750003 0.579577 O\n0.168791 0.749998 0.920420 O\n0.831786 0.250004 0.419672 O\n0.831786 0.250001 0.080335 O\n0.665432 0.502932 0.587861 O\n0.665424 0.997070 0.912139 O\n0.334521 0.002626 0.412002 O\n0.334516 0.497378 0.087999 O\n0.334517 0.497374 0.412000 O\n0.334516 0.002620 0.088001 O\n0.665428 0.997064 0.587861 O\n0.665429 0.502929 0.912140 O\n",
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{
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"structure_string": "Ba2 Cr4 As2 O20\n1.0\n-7.495642 0.174473 1.338841\n0.638818 -7.325888 3.690820\n-0.116216 -0.184365 8.156035\nBa Cr As O\n2 4 2 20\ndirect\n0.251879 0.718352 0.860635 Ba\n0.748121 0.281648 0.139365 Ba\n0.408926 0.807732 0.283433 Cr\n0.591074 0.192268 0.716567 Cr\n0.217517 0.259462 0.383155 Cr\n0.782483 0.740538 0.616845 Cr\n0.166551 0.274169 0.769882 As\n0.833449 0.725831 0.230118 As\n0.072472 0.393632 0.875265 O\n0.927528 0.606368 0.124735 O\n0.106491 0.037422 0.877851 O\n0.893509 0.962578 0.122149 O\n0.401670 0.312861 0.745641 O\n0.598330 0.687139 0.254359 O\n0.143798 0.366630 0.532528 O\n0.856202 0.633370 0.467472 O\n0.324676 0.734308 0.509522 O\n0.675324 0.265692 0.490478 O\n0.256073 0.762022 0.191403 O\n0.743927 0.237978 0.808597 O\n0.471011 0.030338 0.177354 O\n0.528989 0.969662 0.822646 O\n0.360631 0.406984 0.186161 O\n0.639369 0.593016 0.813839 O\n0.046891 0.189877 0.329345 O\n0.953109 0.810123 0.670655 O\n0.317918 0.085349 0.509301 O\n0.682082 0.914651 0.490699 O\n",
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"formula_full": "Ba2 Cr4 As2 O20",
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{
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"structure_string": "Ba2 Cr20 O30\n1.0\n5.225933 -5.865648 0.000000\n5.225933 5.865648 0.000000\n0.000000 0.000000 9.628392\nBa Cr O\n2 20 30\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.418207 0.906617 0.114744 Cr\n0.081793 0.593383 0.614744 Cr\n0.406617 0.918207 0.385256 Cr\n0.093383 0.581793 0.885256 Cr\n0.581793 0.093383 0.885256 Cr\n0.918207 0.406617 0.385256 Cr\n0.593383 0.081793 0.614744 Cr\n0.906617 0.418207 0.114744 Cr\n0.788500 0.042881 0.143291 Cr\n0.711500 0.457119 0.643291 Cr\n0.542881 0.288500 0.356709 Cr\n0.957119 0.211500 0.856709 Cr\n0.211500 0.957119 0.856709 Cr\n0.288500 0.542881 0.356709 Cr\n0.457119 0.711500 0.643291 Cr\n0.042881 0.788500 0.143291 Cr\n0.816692 0.816692 0.865262 Cr\n0.683308 0.683308 0.365262 Cr\n0.316692 0.316692 0.634738 Cr\n0.183308 0.183308 0.134738 Cr\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.144904 0.144904 0.739793 O\n0.355096 0.355096 0.239793 O\n0.644904 0.644904 0.760207 O\n0.855096 0.855096 0.260207 O\n0.222507 0.958740 0.240321 O\n0.277493 0.541260 0.740321 O\n0.458740 0.722507 0.259679 O\n0.041260 0.777493 0.759679 O\n0.777493 0.041260 0.759679 O\n0.722507 0.458740 0.259679 O\n0.541260 0.277493 0.740321 O\n0.958740 0.222507 0.240321 O\n0.564690 0.064690 0.250000 O\n0.935310 0.435310 0.750000 O\n0.435310 0.935310 0.750000 O\n0.064690 0.564690 0.250000 O\n0.364741 0.103644 0.994563 O\n0.135259 0.396356 0.494563 O\n0.603644 0.864741 0.505437 O\n0.896356 0.635259 0.005437 O\n0.756198 0.243802 0.000000 O\n0.743802 0.256198 0.500000 O\n0.243802 0.756198 0.000000 O\n0.256198 0.743802 0.500000 O\n0.103644 0.364741 0.994563 O\n0.396356 0.135259 0.494563 O\n0.864741 0.603644 0.505437 O\n0.635259 0.896356 0.005437 O\n",
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{
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"structure_string": "Ba4 Co8 Sn32\n1.0\n5.111944 -7.608328 0.000000\n5.111944 7.608328 0.000000\n0.000000 0.000000 14.258615\nBa Co Sn\n4 8 32\ndirect\n0.793270 0.103595 0.500000 Ba\n0.206730 0.896405 0.500000 Ba\n0.896405 0.206730 0.000000 Ba\n0.103595 0.793270 0.000000 Ba\n0.278880 0.571950 0.670318 Co\n0.721120 0.428050 0.670318 Co\n0.428050 0.721120 0.829682 Co\n0.571950 0.278880 0.829682 Co\n0.721120 0.428050 0.329682 Co\n0.278880 0.571950 0.329682 Co\n0.571950 0.278880 0.170318 Co\n0.428050 0.721120 0.170318 Co\n0.395322 0.591302 0.500000 Sn\n0.604678 0.408698 0.500000 Sn\n0.408698 0.604678 0.000000 Sn\n0.591302 0.395322 0.000000 Sn\n0.000000 0.000000 0.750000 Sn\n0.000000 0.000000 0.250000 Sn\n0.205997 0.794003 0.750000 Sn\n0.794003 0.205997 0.750000 Sn\n0.794003 0.205997 0.250000 Sn\n0.205997 0.794003 0.250000 Sn\n0.000000 0.500000 0.605911 Sn\n0.500000 0.000000 0.894089 Sn\n0.000000 0.500000 0.394089 Sn\n0.500000 0.000000 0.105911 Sn\n0.536991 0.840750 0.664642 Sn\n0.463009 0.159250 0.664642 Sn\n0.159250 0.463009 0.835358 Sn\n0.840750 0.536991 0.835358 Sn\n0.463009 0.159250 0.335358 Sn\n0.536991 0.840750 0.335358 Sn\n0.840750 0.536991 0.164642 Sn\n0.159250 0.463009 0.164642 Sn\n0.194521 0.278036 0.614826 Sn\n0.805479 0.721964 0.614826 Sn\n0.721964 0.805479 0.885174 Sn\n0.278036 0.194521 0.885174 Sn\n0.805479 0.721964 0.385174 Sn\n0.194521 0.278036 0.385174 Sn\n0.278036 0.194521 0.114826 Sn\n0.721964 0.805479 0.114826 Sn\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n",
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{
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{
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