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{
"id": "mp-1202173",
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{
"id": "mp-1097775",
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"structure_string": "Ba4 Cu4 O10\n1.0\n-2.841369 2.851392 8.450376\n2.841369 -2.851392 8.450376\n2.841369 2.851392 -8.450376\nBa Cu O\n4 4 10\ndirect\n0.602301 0.120702 0.493279 Ba\n0.372576 0.879298 0.481599 Ba\n0.102301 0.609023 0.481599 Ba\n0.872576 0.390977 0.493279 Ba\n0.989114 0.000000 0.989114 Cu\n0.489114 0.500000 0.989114 Cu\n0.228135 0.294813 0.022949 Cu\n0.728135 0.705187 0.933322 Cu\n0.233186 0.745962 0.983055 O\n0.237093 0.254038 0.487224 O\n0.733186 0.750131 0.487224 O\n0.737093 0.249869 0.983055 O\n0.137497 0.110190 0.957283 O\n0.847093 0.889810 0.027307 O\n0.637497 0.680214 0.027307 O\n0.347093 0.319786 0.957283 O\n0.945803 0.454480 0.900283 O\n0.445803 0.545520 0.491323 O\n",
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"formula_full": "Ba4 Cu4 O10",
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{
"id": "mp-1173479",
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"structure_string": "Rb1 Al6 H20 N5 F24\n1.0\n5.131171 0.000000 0.000000\n0.082171 5.188910 0.000000\n0.555850 0.090790 22.802545\nRb Al H N F\n1 6 20 5 24\ndirect\n0.579556 0.053673 0.858770 Rb\n0.771913 0.858868 0.336615 Al\n0.020644 0.998464 0.983297 Al\n0.131589 0.152042 0.682874 Al\n0.266217 0.358586 0.336392 Al\n0.520218 0.499841 0.989823 Al\n0.643820 0.647216 0.663604 Al\n0.911160 0.494348 0.174930 H\n0.468581 0.786420 0.108526 H\n0.070743 0.891899 0.519963 H\n0.229399 0.759494 0.219392 H\n0.577107 0.938401 0.168150 H\n0.699470 0.008893 0.099692 H\n0.147809 0.874258 0.210922 H\n0.526875 0.123171 0.256051 H\n0.389517 0.102218 0.121005 H\n0.336245 0.155835 0.584265 H\n0.107165 0.162872 0.612604 H\n0.929673 0.381243 0.455906 H\n0.661302 0.198018 0.466306 H\n0.722733 0.425080 0.516134 H\n0.634918 0.512718 0.448907 H\n0.525052 0.547991 0.854449 H\n0.159628 0.464066 0.788565 H\n0.878190 0.620904 0.797075 H\n0.111148 0.678199 0.845675 H\n0.143153 0.789633 0.776579 H\n0.061848 0.390900 0.153456 N\n0.197006 0.731594 0.517633 N\n0.531521 0.960630 0.124678 N\n0.738092 0.377616 0.472436 N\n0.076811 0.637987 0.802198 N\n0.561427 0.484159 0.064760 F\n0.381185 0.289124 0.256680 F\n0.016107 0.602861 0.312421 F\n0.516587 0.612544 0.333691 F\n0.817676 0.824771 0.411045 F\n0.710986 0.631862 0.591849 F\n0.960118 0.017782 0.058823 F\n0.388538 0.881525 0.682495 F\n0.678934 0.945602 0.254977 F\n0.867838 0.892241 0.691341 F\n0.025230 0.103452 0.325404 F\n0.157644 0.139994 0.762390 F\n0.521875 0.112959 0.352032 F\n0.075365 0.974346 0.904450 F\n0.201418 0.390282 0.410797 F\n0.771586 0.259317 0.967572 F\n0.511355 0.134011 0.566412 F\n0.279849 0.243509 0.986072 F\n0.394324 0.409391 0.682388 F\n0.872982 0.413860 0.695201 F\n0.574942 0.558712 0.807761 F\n0.452753 0.531542 0.904409 F\n0.758193 0.754493 0.974384 F\n0.264260 0.743249 0.995240 F\n",
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"formula_full": "Rb1 Al6 H20 N5 F24",
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"energy": -294.28175201,
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"updated_at": "2021-11-28T01:35:08.572000Z",
"spacegroup": 1
},
{
"id": "mp-754187",
"created_at": "2022-09-04T14:41:09.234542Z",
"structure_string": "Li6 Mn4 Sn2 O12\n1.0\n-0.000216 -1.603163 2.620232\n12.571865 -4.551561 -2.784086\n3.495856 4.257381 2.602897\nLi Mn Sn O\n6 4 2 12\ndirect\n0.999994 0.666474 0.166862 Li\n0.499995 0.166569 0.166798 Li\n0.000001 0.998481 0.492174 Li\n0.500004 0.498500 0.492255 Li\n0.999985 0.335140 0.840863 Li\n0.499986 0.835038 0.840823 Li\n0.499958 0.496539 0.015101 Mn\n0.500006 0.836680 0.318375 Mn\n0.000030 0.996466 0.014911 Mn\n0.000003 0.336627 0.318592 Mn\n0.000047 0.666677 0.666718 Sn\n0.499987 0.166624 0.666867 Sn\n0.000180 0.509304 0.766045 O\n0.500197 0.009168 0.766012 O\n0.999783 0.824118 0.567007 O\n0.499787 0.323937 0.567349 O\n0.000176 0.831603 0.095285 O\n0.500166 0.331590 0.095321 O\n0.999826 0.501769 0.238219 O\n0.499848 0.001738 0.237922 O\n0.999824 0.161623 0.433469 O\n0.499875 0.661765 0.433290 O\n0.000148 0.171682 0.899990 O\n0.500195 0.671890 0.899755 O\n",
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"spacegroup": 12
},
{
"id": "mp-1189822",
"created_at": "2022-09-04T14:41:09.236116Z",
"structure_string": "Na6 Np2 O12\n1.0\n2.885109 5.257481 0.000000\n-2.885109 5.257481 0.000000\n0.000000 5.236058 10.476133\nNa Np O\n6 2 12\ndirect\n0.594732 0.340786 0.497668 Na\n0.340786 0.594732 0.997668 Na\n0.052773 0.771337 0.316114 Na\n0.839566 0.615782 0.685500 Na\n0.771337 0.052773 0.816114 Na\n0.615782 0.839566 0.185500 Na\n0.266433 0.013010 0.500803 Np\n0.013010 0.266433 0.000803 Np\n0.048980 0.337606 0.390967 O\n0.480103 0.684860 0.610567 O\n0.337606 0.048980 0.890967 O\n0.684860 0.480103 0.110567 O\n0.597673 0.048066 0.395860 O\n0.194270 0.235338 0.608809 O\n0.048066 0.597673 0.895860 O\n0.235338 0.194270 0.108809 O\n0.347115 0.783815 0.390919 O\n0.925988 0.985357 0.607216 O\n0.783815 0.347115 0.890919 O\n0.985357 0.925988 0.107216 O\n",
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{
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"structure_string": "Hg1 S1\n1.0\n0.000000 3.003682 3.003682\n3.003682 0.000000 3.003682\n3.003682 3.003682 0.000000\nHg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 S\n",
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{
"id": "mp-1174121",
"created_at": "2022-09-04T14:41:09.243269Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n1.447281 9.621594 0.000000\n-1.447281 9.621594 0.000000\n0.000000 0.571008 5.202786\nLi Mn Co O\n5 2 1 8\ndirect\n0.619600 0.619600 0.619937 Li\n0.380400 0.380400 0.380063 Li\n0.118127 0.118127 0.119725 Li\n0.881873 0.881873 0.880275 Li\n0.000000 0.000000 0.500000 Li\n0.251506 0.251506 0.748958 Mn\n0.748494 0.748494 0.251042 Mn\n0.500000 0.500000 0.000000 Co\n0.692545 0.692545 0.904686 O\n0.446873 0.446873 0.736059 O\n0.189550 0.189550 0.410278 O\n0.944292 0.944292 0.166962 O\n0.553127 0.553127 0.263941 O\n0.307455 0.307455 0.095314 O\n0.055708 0.055708 0.833038 O\n0.810450 0.810450 0.589722 O\n",
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{
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