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{
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{
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"structure_string": "Mg8 Te12 O36\n1.0\n7.258758 0.000000 0.000000\n0.000000 9.184115 0.000000\n0.000000 6.663727 10.685478\nMg Te O\n8 12 36\ndirect\n0.869111 0.604485 0.859070 Mg\n0.376961 0.595187 0.862291 Mg\n0.876961 0.404813 0.637709 Mg\n0.369111 0.395515 0.640930 Mg\n0.630889 0.604485 0.359070 Mg\n0.123039 0.595187 0.362291 Mg\n0.623039 0.404813 0.137709 Mg\n0.130889 0.395515 0.140930 Mg\n0.126921 0.995646 0.751469 Te\n0.114788 0.776764 0.559499 Te\n0.619140 0.760329 0.571475 Te\n0.373079 0.995646 0.251469 Te\n0.119140 0.239671 0.928525 Te\n0.614788 0.223236 0.940501 Te\n0.385212 0.776764 0.059499 Te\n0.880860 0.760329 0.071475 Te\n0.626921 0.004354 0.748531 Te\n0.380860 0.239671 0.428525 Te\n0.885212 0.223236 0.440501 Te\n0.873079 0.004354 0.248531 Te\n0.566382 0.930641 0.925116 O\n0.191730 0.916914 0.925719 O\n0.876149 0.959331 0.814411 O\n0.613466 0.772407 0.792141 O\n0.133461 0.761528 0.794815 O\n0.933618 0.930641 0.425116 O\n0.308270 0.916914 0.425719 O\n0.623851 0.959331 0.314411 O\n0.844520 0.672973 0.670300 O\n0.412442 0.637471 0.677268 O\n0.140524 0.417359 0.966299 O\n0.611913 0.417664 0.958098 O\n0.111913 0.582336 0.541902 O\n0.640524 0.582641 0.533701 O\n0.886534 0.772407 0.292141 O\n0.912442 0.362529 0.822732 O\n0.366539 0.761528 0.294815 O\n0.344520 0.327027 0.829700 O\n0.655480 0.672973 0.170300 O\n0.633461 0.238472 0.705185 O\n0.087558 0.637471 0.177268 O\n0.113466 0.227593 0.707859 O\n0.359476 0.417359 0.466299 O\n0.888087 0.417664 0.458098 O\n0.388087 0.582336 0.041902 O\n0.859476 0.582641 0.033701 O\n0.587558 0.362529 0.322732 O\n0.155480 0.327027 0.329700 O\n0.376149 0.040669 0.685589 O\n0.691730 0.083086 0.574281 O\n0.066382 0.069359 0.574884 O\n0.866539 0.238472 0.205185 O\n0.386534 0.227593 0.207859 O\n0.123851 0.040669 0.185589 O\n0.808270 0.083086 0.074281 O\n0.433618 0.069359 0.074884 O\n",
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"formula_full": "Mg8 Te12 O36",
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"spacegroup": 14
},
{
"id": "mp-1412002",
"created_at": "2022-09-04T14:46:56.045145Z",
"structure_string": "Mg2 Fe3 O8\n1.0\n2.900335 5.156435 0.000000\n-2.900335 5.156435 0.000000\n0.000000 1.748056 4.608043\nMg Fe O\n2 3 8\ndirect\n0.722928 0.722928 0.339698 Mg\n0.277072 0.277072 0.660302 Mg\n0.000000 0.000000 0.500000 Fe\n0.741574 0.258426 0.000000 Fe\n0.258426 0.741574 0.000000 Fe\n0.393622 0.393622 0.934189 O\n0.606378 0.606378 0.065811 O\n0.892330 0.892330 0.925951 O\n0.107670 0.107670 0.074049 O\n0.345155 0.884459 0.604245 O\n0.884459 0.345155 0.604245 O\n0.115541 0.654845 0.395755 O\n0.654845 0.115541 0.395755 O\n",
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"volume": 137.8301503186075,
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"formula_full": "Mg2 Fe3 O8",
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{
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"created_at": "2022-09-04T14:47:00.220162Z",
"structure_string": "Sc2 Fe2 C4\n1.0\n3.354222 0.000000 0.000000\n0.000000 3.354222 0.000000\n0.000000 0.000000 7.314984\nSc Fe C\n2 2 4\ndirect\n0.000000 0.500000 0.651652 Sc\n0.500000 0.000000 0.348348 Sc\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.156510 C\n0.500000 0.000000 0.843490 C\n0.000000 0.500000 0.349899 C\n0.500000 0.000000 0.650101 C\n",
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{
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{
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"created_at": "2022-09-04T14:46:39.577727Z",
"structure_string": "Li4 Cr3 Fe5 O16\n1.0\n2.854142 4.994306 0.000000\n-2.854142 4.994306 0.000000\n0.000000 0.158603 9.512654\nLi Cr Fe O\n4 3 5 16\ndirect\n0.668573 0.668573 0.892027 Li\n0.997469 0.997469 0.994452 Li\n0.998452 0.998452 0.497533 Li\n0.332255 0.332255 0.394063 Li\n0.343603 0.826186 0.214382 Cr\n0.826186 0.343603 0.214382 Cr\n0.169307 0.169307 0.714990 Cr\n0.669031 0.669031 0.495157 Fe\n0.831878 0.831878 0.214455 Fe\n0.334834 0.334834 0.993224 Fe\n0.175697 0.655388 0.714683 Fe\n0.655388 0.175697 0.714683 Fe\n0.329373 0.832631 0.602396 O\n0.515296 0.515296 0.331892 O\n0.672394 0.672394 0.103908 O\n0.998338 0.998338 0.310437 O\n0.993413 0.993413 0.807600 O\n0.832631 0.329373 0.602396 O\n0.522269 0.959324 0.334939 O\n0.959324 0.522269 0.334939 O\n0.160714 0.160714 0.103439 O\n0.839183 0.839183 0.608727 O\n0.037822 0.480790 0.830376 O\n0.480790 0.037822 0.830376 O\n0.337026 0.337026 0.604668 O\n0.159069 0.673524 0.103985 O\n0.481317 0.481317 0.839615 O\n0.673524 0.159069 0.103985 O\n",
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{
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"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.662588 0.000000 0.000000\n0.000000 7.022251 0.000000\n0.000000 6.793512 12.403482\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.745245 0.516624 0.609028 Sr\n0.245245 0.483376 0.890972 Sr\n0.254755 0.483376 0.390972 Sr\n0.754755 0.516624 0.109028 Sr\n0.506064 0.980061 0.884758 Mg\n0.006064 0.019939 0.615242 Mg\n0.493936 0.019939 0.115242 Mg\n0.993936 0.980061 0.384758 Mg\n0.016117 0.937252 0.880631 P\n0.516117 0.062748 0.619369 P\n0.983883 0.062748 0.119369 P\n0.483883 0.937252 0.380631 P\n0.276038 0.740292 0.588633 P\n0.776038 0.259708 0.911367 P\n0.723962 0.259708 0.411367 P\n0.223962 0.740292 0.088633 P\n0.757794 0.725287 0.790641 P\n0.257794 0.274713 0.709359 P\n0.242206 0.274713 0.209359 P\n0.742206 0.725287 0.290641 P\n0.310633 0.943201 0.612796 N\n0.810633 0.056799 0.887204 N\n0.689367 0.056799 0.387204 N\n0.189367 0.943201 0.112796 N\n0.705695 0.893476 0.662914 N\n0.205695 0.106524 0.837086 N\n0.294305 0.106524 0.337086 N\n0.794305 0.893476 0.162914 N\n0.974503 0.821887 0.805435 N\n0.474503 0.178113 0.694565 N\n0.025497 0.178113 0.194565 N\n0.525497 0.821887 0.305435 N\n0.798149 0.487916 0.799741 N\n0.298149 0.512084 0.700259 N\n0.201851 0.512084 0.200259 N\n0.701851 0.487916 0.299741 N\n0.579008 0.267958 0.501928 N\n0.079008 0.732042 0.998072 N\n0.420992 0.732042 0.498072 N\n0.920992 0.267958 0.001928 N\n0.050555 0.779278 0.549430 O\n0.550555 0.220722 0.950570 O\n0.949445 0.220722 0.450570 O\n0.449445 0.779278 0.049430 O\n0.588098 0.713836 0.869686 O\n0.088098 0.286164 0.630314 O\n0.411902 0.286164 0.130314 O\n0.911902 0.713836 0.369686 O\n",
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"formula_full": "Sr4 Mg4 P12 N20 O8",
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{
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{
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{
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},
{
"id": "mp-1192578",
"created_at": "2022-09-04T14:46:55.586564Z",
"structure_string": "K2 Ca4 U1 Si4 O16\n1.0\n6.722305 0.000000 0.000000\n-2.582013 6.253643 0.000000\n-0.543210 -1.825039 9.624014\nK Ca U Si O\n2 4 1 4 16\ndirect\n0.671712 0.321642 0.544766 K\n0.328288 0.678358 0.455234 K\n0.225609 0.968219 0.886558 Ca\n0.774391 0.031781 0.113442 Ca\n0.741731 0.483783 0.928230 Ca\n0.258269 0.516217 0.071770 Ca\n0.000000 0.000000 0.500000 U\n0.674129 0.915060 0.787998 Si\n0.325871 0.084940 0.212002 Si\n0.245936 0.477396 0.765862 Si\n0.754064 0.522604 0.234138 Si\n0.625712 0.105138 0.885629 O\n0.374288 0.894862 0.114371 O\n0.836792 0.843021 0.878493 O\n0.163208 0.156979 0.121507 O\n0.744423 0.974158 0.635889 O\n0.255577 0.025842 0.364111 O\n0.439000 0.703841 0.738477 O\n0.561000 0.296159 0.261523 O\n0.080303 0.552517 0.855110 O\n0.919697 0.447483 0.144890 O\n0.146754 0.345618 0.606151 O\n0.853246 0.654382 0.393849 O\n0.354319 0.357605 0.861427 O\n0.645681 0.642395 0.138573 O\n0.841154 0.073809 0.365773 O\n0.158846 0.926191 0.634227 O\n",
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"O"
],
"chemical_system": "Ca-K-O-Si-U",
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"density_atomic": 0.06673539260838847,
"volume": 404.5829198674133,
"volume_molar": 9.023908490864308,
"formula_full": "K2 Ca4 U1 Si4 O16",
"formula_reduced": "K2Ca4U(SiO4)4",
"formula_anonymous": "AB2C4D4E16",
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"updated_at": "2021-11-28T01:37:49.419000Z",
"spacegroup": 2
},
{
"id": "mp-30578",
"created_at": "2022-09-04T14:46:57.431745Z",
"structure_string": "Dy1 Cu5\n1.0\n0.000000 3.510074 3.510074\n3.510074 0.000000 3.510074\n3.510074 3.510074 0.000000\nDy Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.250000 0.250000 Cu\n0.623793 0.623793 0.623793 Cu\n0.128622 0.623793 0.623793 Cu\n0.623793 0.128622 0.623793 Cu\n0.623793 0.623793 0.128622 Cu\n",
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],
"chemical_system": "Cu-Dy",
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"volume": 86.49257223972536,
"volume_molar": 8.681174078701577,
"formula_full": "Dy1 Cu5",
"formula_reduced": "DyCu5",
"formula_anonymous": "AB5",
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"updated_at": "2021-11-28T01:37:49.419000Z",
"spacegroup": 216
}
]
}