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{
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{
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{
"id": "mp-779846",
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"structure_string": "Ho4 Ta12 O36\n1.0\n6.463852 0.000000 0.000000\n0.000000 7.633388 0.000000\n0.000000 0.000000 12.586384\nHo Ta O\n4 12 36\ndirect\n0.056239 0.250000 0.463416 Ho\n0.443761 0.750000 0.963416 Ho\n0.556239 0.250000 0.036584 Ho\n0.943761 0.750000 0.536584 Ho\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.204926 0.003013 0.712861 Ta\n0.204926 0.496987 0.712861 Ta\n0.295074 0.503013 0.212861 Ta\n0.295074 0.996987 0.212861 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.704926 0.003013 0.787139 Ta\n0.704926 0.496987 0.787139 Ta\n0.795074 0.503013 0.287139 Ta\n0.795074 0.996987 0.287139 Ta\n0.016232 0.042853 0.842901 O\n0.016232 0.457147 0.842901 O\n0.079609 0.750000 0.974714 O\n0.103380 0.036957 0.332381 O\n0.103380 0.463043 0.332381 O\n0.164525 0.250000 0.670032 O\n0.203710 0.750000 0.695739 O\n0.205349 0.535610 0.536668 O\n0.205349 0.964390 0.536668 O\n0.294651 0.035610 0.036668 O\n0.294651 0.464390 0.036668 O\n0.296290 0.250000 0.195739 O\n0.335475 0.750000 0.170032 O\n0.396620 0.536957 0.832381 O\n0.396620 0.963043 0.832381 O\n0.420391 0.250000 0.474714 O\n0.483768 0.542853 0.342901 O\n0.483768 0.957147 0.342901 O\n0.516232 0.042853 0.657099 O\n0.516232 0.457147 0.657099 O\n0.579609 0.750000 0.525286 O\n0.603380 0.036957 0.167619 O\n0.603380 0.463043 0.167619 O\n0.664525 0.250000 0.829968 O\n0.703710 0.750000 0.804261 O\n0.705349 0.535610 0.963332 O\n0.705349 0.964390 0.963332 O\n0.794651 0.035610 0.463332 O\n0.794651 0.464390 0.463332 O\n0.796290 0.250000 0.304261 O\n0.835475 0.750000 0.329968 O\n0.896620 0.536957 0.667619 O\n0.896620 0.963043 0.667619 O\n0.920391 0.250000 0.025286 O\n0.983768 0.542853 0.157099 O\n0.983768 0.957147 0.157099 O\n",
"nsites": 52,
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"formula_full": "Ho4 Ta12 O36",
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{
"id": "mp-864878",
"created_at": "2022-09-04T14:42:57.922410Z",
"structure_string": "Zr1 Al1 Au2\n1.0\n0.000000 3.331889 3.331889\n3.331889 0.000000 3.331889\n3.331889 3.331889 0.000000\nZr Al Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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"formula_full": "Zr1 Al1 Au2",
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},
{
"id": "mp-676645",
"created_at": "2022-09-04T14:42:59.223299Z",
"structure_string": "Ga2 Hg12 Te15\n1.0\n6.985768 4.031924 0.000000\n-6.985768 4.031924 0.000000\n0.000000 2.682574 18.796462\nGa Hg Te\n2 12 15\ndirect\n0.266172 0.932916 0.201549 Ga\n0.932916 0.266172 0.201549 Ga\n0.005398 0.005398 0.008520 Hg\n0.399899 0.399899 0.803070 Hg\n0.663850 0.321735 0.008488 Hg\n0.797505 0.797505 0.596370 Hg\n0.064580 0.732353 0.802724 Hg\n0.228964 0.228964 0.390906 Hg\n0.321735 0.663850 0.008488 Hg\n0.467616 0.137858 0.597219 Hg\n0.732353 0.064580 0.802724 Hg\n0.844107 0.536411 0.390839 Hg\n0.137858 0.467616 0.597219 Hg\n0.536411 0.844107 0.390839 Hg\n0.354078 0.354078 0.956270 Te\n0.749983 0.749983 0.749566 Te\n0.008367 0.681297 0.955979 Te\n0.150356 0.150356 0.543948 Te\n0.416404 0.083138 0.750841 Te\n0.559320 0.559320 0.322778 Te\n0.681297 0.008367 0.955979 Te\n0.820671 0.485107 0.543920 Te\n0.966118 0.966118 0.162339 Te\n0.083138 0.416404 0.750841 Te\n0.218662 0.885388 0.344262 Te\n0.485107 0.820671 0.543920 Te\n0.612725 0.258999 0.162296 Te\n0.885388 0.218662 0.344262 Te\n0.258999 0.612725 0.162296 Te\n",
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"volume": 1058.8455175048498,
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"formula_full": "Ga2 Hg12 Te15",
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},
{
"id": "mp-1186253",
"created_at": "2022-09-04T14:42:59.242933Z",
"structure_string": "Nd2 Mg1 Cd1\n1.0\n0.000000 3.867736 3.867736\n3.867736 0.000000 3.867736\n3.867736 3.867736 0.000000\nNd Mg Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1199894",
"created_at": "2022-09-04T14:42:58.558112Z",
"structure_string": "Si82\n1.0\n7.610454 12.741852 0.000000\n-7.610454 12.741852 0.000000\n0.000000 0.713534 9.876413\nSi\n82\ndirect\n0.454961 0.653551 0.100932 Si\n0.346449 0.545039 0.399068 Si\n0.545039 0.346449 0.899068 Si\n0.653551 0.454961 0.600932 Si\n0.599192 0.678725 0.106205 Si\n0.321275 0.400808 0.393795 Si\n0.400808 0.321275 0.893795 Si\n0.678725 0.599192 0.606205 Si\n0.724024 0.543009 0.233387 Si\n0.456991 0.275976 0.266613 Si\n0.275976 0.456991 0.766613 Si\n0.543009 0.724024 0.733387 Si\n0.884316 0.453219 0.119279 Si\n0.546781 0.115684 0.380721 Si\n0.115684 0.546781 0.880721 Si\n0.453219 0.884316 0.619279 Si\n0.554923 0.343050 0.140616 Si\n0.656950 0.445077 0.359384 Si\n0.445077 0.656950 0.859384 Si\n0.343050 0.554923 0.640616 Si\n0.955027 0.176265 0.992634 Si\n0.823735 0.044973 0.507366 Si\n0.044973 0.823735 0.007366 Si\n0.176265 0.955027 0.492634 Si\n0.930088 0.281174 0.177953 Si\n0.718826 0.069912 0.322047 Si\n0.069912 0.718826 0.822047 Si\n0.281174 0.930088 0.677953 Si\n0.823390 0.127038 0.995518 Si\n0.872962 0.176610 0.504482 Si\n0.176610 0.872962 0.004482 Si\n0.127038 0.823390 0.495518 Si\n0.794108 0.279775 0.312602 Si\n0.720225 0.205892 0.187398 Si\n0.205892 0.720225 0.687398 Si\n0.279775 0.794108 0.812602 Si\n0.351141 0.115820 0.096274 Si\n0.884180 0.648859 0.403726 Si\n0.648859 0.884180 0.903726 Si\n0.115820 0.351141 0.596274 Si\n0.347646 0.274944 0.103812 Si\n0.725056 0.652354 0.396188 Si\n0.652354 0.725056 0.896188 Si\n0.274944 0.347646 0.603812 Si\n0.601176 0.786724 0.266589 Si\n0.213276 0.398824 0.233411 Si\n0.398824 0.213276 0.733411 Si\n0.786724 0.601176 0.766589 Si\n0.450216 0.902851 0.378354 Si\n0.097149 0.549784 0.121646 Si\n0.549784 0.097149 0.621646 Si\n0.902851 0.450216 0.878354 Si\n0.486877 0.024666 0.253012 Si\n0.975334 0.513123 0.246988 Si\n0.513123 0.975334 0.746988 Si\n0.024666 0.486877 0.753012 Si\n0.640293 0.905619 0.142020 Si\n0.094381 0.359707 0.357980 Si\n0.359707 0.094381 0.857980 Si\n0.905619 0.640293 0.642020 Si\n0.292758 0.788112 0.182290 Si\n0.211888 0.707242 0.317710 Si\n0.707242 0.211888 0.817710 Si\n0.788112 0.292758 0.682290 Si\n0.291749 0.924626 0.303470 Si\n0.075374 0.708251 0.196530 Si\n0.708251 0.075374 0.696530 Si\n0.924626 0.291749 0.803470 Si\n0.131842 0.050744 0.997088 Si\n0.949256 0.868158 0.502912 Si\n0.868158 0.949256 0.002912 Si\n0.050744 0.131842 0.497088 Si\n0.214640 0.082396 0.174492 Si\n0.917604 0.785360 0.325508 Si\n0.785360 0.917604 0.825508 Si\n0.082396 0.214640 0.674492 Si\n0.080666 0.213616 0.301069 Si\n0.786384 0.919334 0.198931 Si\n0.919334 0.786384 0.698931 Si\n0.213616 0.080666 0.801069 Si\n0.498051 0.501949 0.250000 Si\n0.501949 0.498051 0.750000 Si\n",
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"updated_at": "2021-11-28T01:36:01.375000Z",
"spacegroup": 15
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{
"id": "mp-1216464",
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"structure_string": "V4 N3\n1.0\n-2.043907 2.043907 4.014390\n2.043907 -2.043907 4.014390\n2.043907 2.043907 -4.014390\nV N\n4 3\ndirect\n0.000000 0.500000 0.500000 V\n0.252312 0.252312 0.000000 V\n0.500000 0.000000 0.500000 V\n0.747688 0.747688 0.000000 V\n0.750000 0.250000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.250000 0.750000 0.500000 N\n",
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{
"id": "mp-1233185",
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"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.000403 3.917841 -0.000005\n-7.568580 1.959685 -0.235694\n-1.214801 0.000264 9.337206\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.527222 0.942642 0.733066 Sr\n0.441982 0.112628 0.229565 Sr\n0.711034 0.573937 0.963248 Mg\n0.120151 0.755793 0.117445 Ti\n0.165010 0.666515 0.425686 Ti\n0.240112 0.516181 0.743984 Ti\n0.764438 0.467767 0.254678 Ti\n0.825126 0.346490 0.572122 Ti\n0.888949 0.218986 0.916988 Ti\n0.230532 0.535504 0.250094 N\n0.831636 0.333482 0.086264 N\n0.059497 0.877077 0.300506 O\n0.129336 0.737727 0.632826 O\n0.177784 0.640499 0.928472 O\n0.625201 0.745842 0.113118 O\n0.689745 0.616975 0.444487 O\n0.756833 0.482724 0.767336 O\n0.298650 0.399429 0.555915 O\n0.371753 0.253313 0.864522 O\n0.868480 0.260171 0.381005 O\n0.930568 0.135840 0.682075 O\n0.003287 0.990489 0.991295 O\n",
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{
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{
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{
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