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{
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{
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{
"id": "mp-1077234",
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{
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"structure_string": "Y2 Mg2\n1.0\n1.708525 -2.959252 0.000000\n1.708525 2.959252 0.000000\n0.000000 0.000000 11.241781\nY Mg\n2 2\ndirect\n0.666667 0.333333 0.870895 Y\n0.333333 0.666667 0.129105 Y\n0.333333 0.666667 0.618021 Mg\n0.666667 0.333333 0.381979 Mg\n",
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{
"id": "mp-1023924",
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{
"id": "mp-1217089",
"created_at": "2022-09-04T14:46:25.861029Z",
"structure_string": "Ti2 Al1 Si3\n1.0\n-3.638881 0.000000 0.000000\n0.000000 0.000000 -3.601094\n-1.819440 -6.763130 0.000000\nTi Al Si\n2 1 3\ndirect\n0.096889 0.750000 0.806221 Ti\n0.903548 0.250000 0.192903 Ti\n0.750602 0.750000 0.498796 Al\n0.249429 0.250000 0.501141 Si\n0.437835 0.750000 0.124330 Si\n0.561696 0.250000 0.876608 Si\n",
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"formula_full": "Ti2 Al1 Si3",
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"spacegroup": 38
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{
"id": "mp-17036",
"created_at": "2022-09-04T14:46:25.952327Z",
"structure_string": "Tb8 Si12 Rh4\n1.0\n4.094861 -7.092508 0.000000\n4.094861 7.092508 0.000000\n0.000000 0.000000 7.969855\nTb Si Rh\n8 12 4\ndirect\n0.000000 0.000000 0.750000 Tb\n0.507438 0.014875 0.250000 Tb\n0.507438 0.492562 0.250000 Tb\n0.000000 0.000000 0.250000 Tb\n0.985125 0.492562 0.250000 Tb\n0.492562 0.985125 0.750000 Tb\n0.492562 0.507438 0.750000 Tb\n0.014875 0.507438 0.750000 Tb\n0.833270 0.166730 0.499601 Si\n0.833270 0.666541 0.499601 Si\n0.333459 0.166730 0.499601 Si\n0.166730 0.333459 0.500399 Si\n0.333459 0.166730 0.000399 Si\n0.833270 0.166730 0.000399 Si\n0.833270 0.666541 0.000399 Si\n0.166730 0.333459 0.999601 Si\n0.666541 0.833270 0.999601 Si\n0.666541 0.833270 0.500399 Si\n0.166730 0.833270 0.500399 Si\n0.166730 0.833270 0.999601 Si\n0.666667 0.333333 0.529778 Rh\n0.333333 0.666667 0.470222 Rh\n0.666667 0.333333 0.970222 Rh\n0.333333 0.666667 0.029778 Rh\n",
"nsites": 24,
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{
"id": "mp-5321",
"created_at": "2022-09-04T14:46:24.375368Z",
"structure_string": "Ho7 Co6 Sn23\n1.0\n4.852709 -8.405138 0.000000\n4.852709 8.405138 0.000000\n0.000000 0.000000 9.931453\nHo Co Sn\n7 6 23\ndirect\n0.000000 0.000000 0.000000 Ho\n0.521350 0.478650 0.692782 Ho\n0.521350 0.042699 0.692782 Ho\n0.957301 0.478650 0.692782 Ho\n0.042699 0.521350 0.307218 Ho\n0.478650 0.957301 0.307218 Ho\n0.478650 0.521350 0.307218 Ho\n0.167977 0.832023 0.802415 Co\n0.167977 0.335954 0.802415 Co\n0.664046 0.832023 0.802415 Co\n0.335954 0.167977 0.197585 Co\n0.832023 0.664046 0.197585 Co\n0.832023 0.167977 0.197585 Co\n0.666667 0.333333 0.180003 Sn\n0.666667 0.333333 0.883804 Sn\n0.333333 0.666667 0.116196 Sn\n0.346693 0.346693 0.000000 Sn\n0.000000 0.653307 0.000000 Sn\n0.653307 0.000000 0.000000 Sn\n0.653307 0.653307 0.000000 Sn\n0.333333 0.666667 0.819997 Sn\n0.436353 0.218177 0.452621 Sn\n0.218177 0.781823 0.547379 Sn\n0.218177 0.436353 0.547379 Sn\n0.563647 0.781823 0.547379 Sn\n0.117504 0.882496 0.274128 Sn\n0.781823 0.563647 0.452621 Sn\n0.781823 0.218177 0.452621 Sn\n0.346693 0.000000 0.000000 Sn\n0.117504 0.235008 0.274128 Sn\n0.764992 0.882496 0.274128 Sn\n0.235008 0.117504 0.725872 Sn\n0.882496 0.764992 0.725872 Sn\n0.882496 0.117504 0.725872 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.346693 0.000000 Sn\n",
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{
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"structure_string": "U4 Tl8 Te8 O32\n1.0\n8.506090 0.000000 0.000000\n0.000000 5.536822 0.000000\n0.000000 4.834396 21.411738\nU Tl Te O\n4 8 8 32\ndirect\n0.674763 0.596888 0.642555 U\n0.325237 0.403112 0.357445 U\n0.825237 0.596888 0.142555 U\n0.174763 0.403112 0.857445 U\n0.613490 0.792721 0.450337 Tl\n0.665159 0.416706 0.852752 Tl\n0.165159 0.583294 0.647248 Tl\n0.113490 0.207279 0.049663 Tl\n0.886510 0.792721 0.950337 Tl\n0.334841 0.583294 0.147248 Tl\n0.834841 0.416706 0.352752 Tl\n0.386510 0.207279 0.549663 Tl\n0.577271 0.988113 0.269557 Te\n0.582959 0.175091 0.052656 Te\n0.422729 0.011887 0.730443 Te\n0.917041 0.175091 0.552656 Te\n0.922729 0.988113 0.769557 Te\n0.417041 0.824909 0.947344 Te\n0.077271 0.011887 0.230443 Te\n0.082959 0.824909 0.447344 Te\n0.536186 0.772386 0.582313 O\n0.404464 0.180859 0.289192 O\n0.595536 0.819141 0.710808 O\n0.988304 0.672930 0.821270 O\n0.341422 0.893184 0.021963 O\n0.368642 0.124580 0.888744 O\n0.904464 0.819141 0.210808 O\n0.180627 0.577133 0.299790 O\n0.011696 0.327070 0.178730 O\n0.680627 0.422867 0.200210 O\n0.753565 0.378641 0.070323 O\n0.963814 0.772386 0.082313 O\n0.819373 0.422867 0.700210 O\n0.730314 0.034959 0.326960 O\n0.658578 0.106816 0.978037 O\n0.253565 0.621359 0.429677 O\n0.158578 0.893184 0.521963 O\n0.036186 0.227614 0.917687 O\n0.095536 0.180859 0.789192 O\n0.631358 0.875420 0.111256 O\n0.246435 0.621359 0.929677 O\n0.488304 0.327070 0.678730 O\n0.319373 0.577133 0.799790 O\n0.841422 0.106816 0.478037 O\n0.769686 0.034959 0.826960 O\n0.511696 0.672930 0.321270 O\n0.230314 0.965041 0.173040 O\n0.868642 0.875420 0.611256 O\n0.746435 0.378641 0.570323 O\n0.269686 0.965041 0.673040 O\n0.463814 0.227614 0.417687 O\n0.131358 0.124580 0.388744 O\n",
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{
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{
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"structure_string": "Mg5 Bi1\n1.0\n5.594204 -2.811317 0.000000\n5.594204 2.811317 0.000000\n4.181402 0.000000 4.659881\nMg Bi\n5 1\ndirect\n0.000000 0.668213 0.331787 Mg\n0.167025 0.167025 0.167025 Mg\n0.331787 0.000000 0.668213 Mg\n0.668213 0.331787 0.000000 Mg\n0.832975 0.832975 0.832975 Mg\n0.500000 0.500000 0.500000 Bi\n",
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"formula_full": "Mg5 Bi1",
"formula_reduced": "Mg5Bi",
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"spacegroup": 155
},
{
"id": "mp-626778",
"created_at": "2022-09-04T14:46:24.438749Z",
"structure_string": "Na4 H4 O4\n1.0\n3.193965 0.000000 0.000000\n0.000000 5.932886 0.000000\n0.000000 0.000000 6.281235\nNa H O\n4 4 4\ndirect\n0.862158 0.250000 0.000000 Na\n0.137842 0.750000 0.500000 Na\n0.137842 0.750000 0.000000 Na\n0.862158 0.250000 0.500000 Na\n0.552044 0.535225 0.250000 H\n0.447956 0.464775 0.750000 H\n0.552044 0.964775 0.750000 H\n0.447956 0.035225 0.250000 H\n0.294626 0.444330 0.250000 O\n0.705374 0.555670 0.750000 O\n0.294626 0.055670 0.750000 O\n0.705374 0.944330 0.250000 O\n",
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],
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"formula_full": "Na4 H4 O4",
"formula_reduced": "NaHO",
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}
]
}