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{
"id": "mp-1174226",
"created_at": "2022-09-04T14:40:43.333504Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n1.443421 10.607411 0.000000\n-1.443421 10.607411 0.000000\n0.000000 0.799850 5.845871\nLi Mn Co O\n6 2 2 10\ndirect\n0.797969 0.797969 0.102372 Li\n0.600256 0.600256 0.704933 Li\n0.401974 0.401974 0.296061 Li\n0.192989 0.192989 0.911109 Li\n0.009232 0.009232 0.491439 Li\n0.601137 0.601137 0.195831 Li\n0.005103 0.005103 0.000335 Mn\n0.798022 0.798022 0.601001 Mn\n0.400761 0.400761 0.800009 Co\n0.189073 0.189073 0.392760 Co\n0.707004 0.707004 0.626985 O\n0.498754 0.498754 0.224614 O\n0.298094 0.298094 0.823130 O\n0.104857 0.104857 0.452040 O\n0.905204 0.905204 0.026861 O\n0.892913 0.892913 0.573167 O\n0.702740 0.702740 0.167520 O\n0.500528 0.500528 0.775270 O\n0.301414 0.301414 0.378511 O\n0.091977 0.091977 0.956053 O\n",
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{
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"structure_string": "Lu8 Zr6 O24\n1.0\n6.343683 0.000000 0.000000\n-1.039672 6.260690 0.000000\n-2.078036 -2.391251 12.284487\nLu Zr O\n8 6 24\ndirect\n0.391017 0.861857 0.096616 Lu\n0.312138 0.608981 0.819731 Lu\n0.305033 0.610842 0.319928 Lu\n0.859338 0.688541 0.445376 Lu\n0.687862 0.391019 0.180269 Lu\n0.140662 0.311459 0.554624 Lu\n0.608983 0.138143 0.903384 Lu\n0.694967 0.389158 0.680072 Lu\n0.995647 0.994354 0.248802 Zr\n0.387482 0.857202 0.594644 Zr\n0.004353 0.005646 0.751198 Zr\n0.856999 0.684632 0.943886 Zr\n0.143001 0.315368 0.056114 Zr\n0.612518 0.142798 0.405356 Zr\n0.320737 0.942144 0.786646 O\n0.047558 0.911723 0.088324 O\n0.321128 0.954628 0.294779 O\n0.067454 0.919047 0.591258 O\n0.584129 0.820285 0.962912 O\n0.920762 0.685027 0.785964 O\n0.173931 0.575830 0.965028 O\n0.571740 0.827559 0.463032 O\n0.921752 0.679331 0.277952 O\n0.410465 0.567422 0.159067 O\n0.182672 0.589657 0.467462 O\n0.589535 0.432578 0.840933 O\n0.424220 0.579934 0.659475 O\n0.826069 0.424170 0.034972 O\n0.575780 0.420066 0.340525 O\n0.079238 0.314973 0.214036 O\n0.415871 0.179715 0.037088 O\n0.817328 0.410343 0.532538 O\n0.078248 0.320669 0.722048 O\n0.428260 0.172441 0.536968 O\n0.952442 0.088277 0.911676 O\n0.679263 0.057856 0.213354 O\n0.932546 0.080953 0.408742 O\n0.678872 0.045372 0.705221 O\n",
"nsites": 38,
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"elements": [
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"chemical_system": "Lu-O-Zr",
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"formula_full": "Lu8 Zr6 O24",
"formula_reduced": "Lu4Zr3O12",
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"updated_at": "2021-11-28T01:35:07.451000Z",
"spacegroup": 2
},
{
"id": "mp-504909",
"created_at": "2022-09-04T14:40:43.342391Z",
"structure_string": "Ni8 Sn4 P4\n1.0\n3.590225 0.000000 0.000000\n0.000000 5.093717 0.000000\n0.000000 0.000000 12.945690\nNi Sn P\n8 4 4\ndirect\n0.250000 0.499192 0.111670 Ni\n0.750000 0.500808 0.888330 Ni\n0.750000 0.999192 0.388330 Ni\n0.250000 0.000808 0.611670 Ni\n0.750000 0.513707 0.419458 Ni\n0.250000 0.486293 0.580542 Ni\n0.250000 0.013707 0.080542 Ni\n0.750000 0.986293 0.919458 Ni\n0.250000 0.282546 0.292856 Sn\n0.750000 0.717454 0.707144 Sn\n0.750000 0.782546 0.207144 Sn\n0.250000 0.217454 0.792856 Sn\n0.750000 0.283307 0.043566 P\n0.250000 0.716693 0.956434 P\n0.250000 0.783307 0.456434 P\n0.750000 0.216693 0.543566 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Sn",
"P"
],
"chemical_system": "Ni-P-Sn",
"density": 7.492960217060391,
"density_atomic": 0.06758312981243003,
"volume": 236.74547249300738,
"volume_molar": 8.910715997784992,
"formula_full": "Ni8 Sn4 P4",
"formula_reduced": "Ni2SnP",
"formula_anonymous": "ABC2",
"energy": -90.28247149,
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"updated_at": "2021-11-28T01:35:10.027000Z",
"spacegroup": 62
},
{
"id": "mp-976064",
"created_at": "2022-09-04T14:40:43.355065Z",
"structure_string": "Ho6 Co1 Te2\n1.0\n4.186041 -7.250436 0.000000\n4.186041 7.250436 0.000000\n0.000000 0.000000 3.925285\nHo Co Te\n6 1 2\ndirect\n0.236174 0.000000 0.000000 Ho\n0.000000 0.236174 0.000000 Ho\n0.763826 0.763826 0.000000 Ho\n0.601620 0.000000 0.500000 Ho\n0.000000 0.601620 0.500000 Ho\n0.398380 0.398380 0.500000 Ho\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.000000 Te\n0.666667 0.333333 0.000000 Te\n",
"nsites": 9,
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"Co",
"Te"
],
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"density": 9.085796526900044,
"density_atomic": 0.0377723250209904,
"volume": 238.26968541117404,
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"formula_full": "Ho6 Co1 Te2",
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"formula_anonymous": "AB2C6",
"energy": -47.63345239,
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"updated_at": "2021-11-28T01:35:11.182000Z",
"spacegroup": 189
},
{
"id": "mp-704504",
"created_at": "2022-09-04T14:40:43.361852Z",
"structure_string": "Yb4 Mn8 O20\n1.0\n5.846178 0.000000 0.000000\n0.000000 7.060213 0.000000\n0.000000 0.000000 8.462259\nYb Mn O\n4 8 20\ndirect\n0.000000 0.372765 0.670051 Yb\n0.000000 0.627235 0.329949 Yb\n0.000000 0.127235 0.170051 Yb\n0.000000 0.872765 0.829949 Yb\n0.754291 0.000000 0.500000 Mn\n0.754291 0.500000 0.000000 Mn\n0.500000 0.591093 0.652673 Mn\n0.245709 0.000000 0.500000 Mn\n0.500000 0.908907 0.152673 Mn\n0.245709 0.500000 0.000000 Mn\n0.500000 0.091093 0.847327 Mn\n0.500000 0.408907 0.347327 Mn\n0.247530 0.388940 0.206371 O\n0.287382 0.500000 0.500000 O\n0.500000 0.653366 0.087265 O\n0.000000 0.165030 0.444575 O\n0.000000 0.334970 0.944575 O\n0.752470 0.388940 0.206371 O\n0.712618 0.000000 0.000000 O\n0.247530 0.611060 0.793629 O\n0.000000 0.834970 0.555425 O\n0.712618 0.500000 0.500000 O\n0.752470 0.611060 0.793629 O\n0.287382 0.000000 0.000000 O\n0.752470 0.888940 0.293629 O\n0.247530 0.888940 0.293629 O\n0.500000 0.346634 0.912735 O\n0.752470 0.111060 0.706371 O\n0.000000 0.665030 0.055425 O\n0.247530 0.111060 0.706371 O\n0.500000 0.846634 0.587265 O\n0.500000 0.153366 0.412735 O\n",
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],
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"density": 6.901374116751265,
"density_atomic": 0.09161652754461826,
"volume": 349.2819566253005,
"volume_molar": 6.573203461643045,
"formula_full": "Yb4 Mn8 O20",
"formula_reduced": "YbMn2O5",
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"updated_at": "2021-11-28T01:35:05.014000Z",
"spacegroup": 55
},
{
"id": "mp-1215940",
"created_at": "2022-09-04T14:40:43.370425Z",
"structure_string": "Y1 Ho3 C8\n1.0\n-3.667026 0.000000 0.000000\n0.000000 3.667026 0.000000\n0.000000 0.000000 -12.354377\nY Ho C\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.250023 Ho\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.749977 Ho\n0.000000 0.000000 0.197545 C\n0.500000 0.500000 0.447209 C\n0.000000 0.000000 0.696623 C\n0.500000 0.500000 0.947262 C\n0.500000 0.500000 0.052738 C\n0.000000 0.000000 0.303377 C\n0.500000 0.500000 0.552791 C\n0.000000 0.000000 0.802455 C\n",
"nsites": 12,
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"Ho",
"C"
],
"chemical_system": "C-Ho-Y",
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"density_atomic": 0.07223246198779996,
"volume": 166.13029197352841,
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"formula_full": "Y1 Ho3 C8",
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"energy": -96.3222508,
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"updated_at": "2021-11-28T01:35:06.999000Z",
"spacegroup": 123
},
{
"id": "mp-836079",
"created_at": "2022-09-04T14:40:43.347781Z",
"structure_string": "Mn4 C20 O20\n1.0\n3.667629 9.024258 0.000000\n-3.667629 9.024258 0.000000\n0.000000 8.623388 11.736792\nMn C O\n4 20 20\ndirect\n0.301336 0.837399 0.778368 Mn\n0.162601 0.698664 0.721632 Mn\n0.698664 0.162601 0.221632 Mn\n0.837399 0.301336 0.278368 Mn\n0.392579 0.916417 0.807128 C\n0.083583 0.607421 0.692872 C\n0.607421 0.083583 0.192872 C\n0.916417 0.392579 0.307128 C\n0.306984 0.642030 0.916841 C\n0.357970 0.693016 0.583159 C\n0.693016 0.357970 0.083159 C\n0.642030 0.306984 0.416841 C\n0.270979 0.022918 0.635813 C\n0.977082 0.729021 0.864187 C\n0.729021 0.977082 0.364187 C\n0.022917 0.270979 0.135813 C\n0.029776 0.023585 0.842690 C\n0.976415 0.970224 0.657310 C\n0.970224 0.976415 0.157310 C\n0.023585 0.029776 0.342690 C\n0.563554 0.636363 0.712975 C\n0.363637 0.436446 0.787025 C\n0.436446 0.363637 0.287025 C\n0.636363 0.563554 0.212975 C\n0.451484 0.966568 0.825325 O\n0.033432 0.548516 0.674675 O\n0.548516 0.033432 0.174675 O\n0.966568 0.451484 0.325325 O\n0.308018 0.522247 0.004085 O\n0.477753 0.691982 0.495915 O\n0.691982 0.477753 0.995915 O\n0.522247 0.308018 0.504085 O\n0.249633 0.141928 0.547916 O\n0.858072 0.750367 0.952084 O\n0.750367 0.858072 0.452084 O\n0.141928 0.249633 0.047916 O\n0.862400 0.137537 0.887069 O\n0.862463 0.137600 0.612931 O\n0.137600 0.862463 0.112931 O\n0.137537 0.862400 0.387069 O\n0.726977 0.511565 0.672789 O\n0.488435 0.273023 0.827211 O\n0.273023 0.488435 0.327211 O\n0.511565 0.726977 0.172789 O\n",
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"density": 1.6670241156104082,
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"volume": 776.9200060874523,
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"formula_full": "Mn4 C20 O20",
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"updated_at": "2021-11-28T01:35:12.228000Z",
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}
]
}