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{
"id": "mp-1220187",
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{
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{
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"structure_string": "Ho8 C14\n1.0\n13.700408 0.000000 0.000000\n0.000000 3.691634 0.000000\n0.000000 1.644562 6.220579\nHo C\n8 14\ndirect\n0.945052 0.365547 0.260893 Ho\n0.445052 0.634453 0.239107 Ho\n0.054948 0.634453 0.739107 Ho\n0.554948 0.365547 0.760893 Ho\n0.662398 0.054572 0.340015 Ho\n0.162398 0.945428 0.159985 Ho\n0.337602 0.945428 0.659985 Ho\n0.837602 0.054572 0.840015 Ho\n0.500000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.784608 0.467199 0.076760 C\n0.284608 0.532801 0.423240 C\n0.215392 0.532801 0.923240 C\n0.715392 0.467199 0.576760 C\n0.196636 0.378446 0.453235 C\n0.696636 0.621554 0.046765 C\n0.395842 0.266864 0.949405 C\n0.895842 0.733136 0.550595 C\n0.604158 0.733136 0.050595 C\n0.104158 0.266864 0.449405 C\n0.303364 0.378446 0.953235 C\n0.803364 0.621554 0.546765 C\n",
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{
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"created_at": "2022-09-04T14:41:25.897405Z",
"structure_string": "Zr28 Sb16\n1.0\n11.250793 0.000000 0.000000\n0.000000 8.557062 0.000000\n0.000000 4.147293 10.397591\nZr Sb\n28 16\ndirect\n0.940195 0.601507 0.840923 Zr\n0.559805 0.601507 0.340923 Zr\n0.261478 0.339599 0.982003 Zr\n0.294400 0.986273 0.930351 Zr\n0.723201 0.353974 0.827888 Zr\n0.078295 0.988816 0.710540 Zr\n0.941331 0.366036 0.634745 Zr\n0.000073 0.797146 0.055263 Zr\n0.238522 0.339599 0.482003 Zr\n0.205600 0.986273 0.430351 Zr\n0.776799 0.353974 0.327888 Zr\n0.421705 0.988816 0.210540 Zr\n0.558669 0.366036 0.134745 Zr\n0.499927 0.797146 0.555263 Zr\n0.500073 0.202854 0.444737 Zr\n0.441331 0.633964 0.865255 Zr\n0.578295 0.011184 0.789460 Zr\n0.223201 0.646026 0.672112 Zr\n0.794400 0.013727 0.569649 Zr\n0.761478 0.660401 0.517997 Zr\n0.999927 0.202854 0.944737 Zr\n0.058669 0.633964 0.365255 Zr\n0.921705 0.011184 0.289460 Zr\n0.276799 0.646026 0.172112 Zr\n0.705600 0.013727 0.069649 Zr\n0.738522 0.660401 0.017997 Zr\n0.440195 0.398493 0.659077 Zr\n0.059805 0.398493 0.159077 Zr\n0.683246 0.714441 0.751989 Sb\n0.816754 0.714441 0.251989 Sb\n0.346043 0.987917 0.661659 Sb\n0.492350 0.226642 0.938416 Sb\n0.676486 0.319613 0.578994 Sb\n0.153957 0.987917 0.161659 Sb\n0.007650 0.226642 0.438416 Sb\n0.176486 0.680387 0.921006 Sb\n0.823514 0.319613 0.078994 Sb\n0.992350 0.773358 0.561584 Sb\n0.323514 0.680387 0.421006 Sb\n0.507650 0.773358 0.061584 Sb\n0.183246 0.285559 0.748011 Sb\n0.316754 0.285559 0.248011 Sb\n0.846043 0.012083 0.838341 Sb\n0.653957 0.012083 0.338341 Sb\n",
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},
{
"id": "mp-1074108",
"created_at": "2022-09-04T14:39:49.744398Z",
"structure_string": "Mg8 Si14\n1.0\n4.326577 0.000000 0.000000\n0.000000 6.571385 0.000000\n0.000000 0.398100 13.647576\nMg Si\n8 14\ndirect\n0.500000 0.913105 0.926447 Mg\n0.500000 0.617976 0.507936 Mg\n0.000000 0.807750 0.332840 Mg\n0.000000 0.430214 0.658993 Mg\n0.500000 0.416869 0.854269 Mg\n0.000000 0.377271 0.189086 Mg\n0.000000 0.291970 0.417395 Mg\n0.000000 0.928020 0.586952 Mg\n0.000000 0.617357 0.978521 Si\n0.000000 0.228843 0.976389 Si\n0.500000 0.530964 0.054722 Si\n0.500000 0.759134 0.189089 Si\n0.500000 0.237320 0.561950 Si\n0.500000 0.991697 0.438031 Si\n0.500000 0.161603 0.080886 Si\n0.000000 0.114505 0.806481 Si\n0.500000 0.716770 0.710985 Si\n0.000000 0.903526 0.114613 Si\n0.500000 0.497505 0.318480 Si\n0.000000 0.736722 0.807124 Si\n0.500000 0.087557 0.720362 Si\n0.500000 0.129650 0.272010 Si\n",
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{
"id": "mp-568838",
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"structure_string": "Hg4 I7\n1.0\n9.512547 0.000000 0.000000\n0.000000 9.512547 0.000000\n0.000000 0.000000 6.583887\nHg I\n4 7\ndirect\n0.000000 0.272176 0.229953 Hg\n0.727824 0.000000 0.770047 Hg\n0.272176 0.000000 0.770047 Hg\n0.000000 0.727824 0.229953 Hg\n0.256148 0.256148 0.000000 I\n0.743852 0.743852 0.000000 I\n0.500000 0.000000 0.481124 I\n0.000000 0.500000 0.518876 I\n0.000000 0.000000 0.500000 I\n0.743852 0.256148 0.000000 I\n0.256148 0.743852 0.000000 I\n",
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{
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"structure_string": "P8 N14\n1.0\n-3.192209 -3.659452 1.254230\n-3.192209 3.659452 1.254230\n0.035448 0.000000 -9.030481\nP N\n8 14\ndirect\n0.025289 0.507848 0.202155 P\n0.492152 0.974711 0.297845 P\n0.974711 0.492152 0.797845 P\n0.507848 0.025289 0.702155 P\n0.744986 0.584190 0.476165 P\n0.415810 0.255014 0.023835 P\n0.255014 0.415810 0.523835 P\n0.584190 0.744986 0.976165 P\n0.848056 0.724952 0.903644 N\n0.275048 0.151944 0.596356 N\n0.151944 0.275048 0.096356 N\n0.724952 0.848056 0.403644 N\n0.989437 0.430654 0.368913 N\n0.569346 0.010563 0.131087 N\n0.010563 0.569346 0.631087 N\n0.430654 0.989437 0.868913 N\n0.185958 0.814042 0.250000 N\n0.814042 0.185958 0.750000 N\n0.692710 0.510017 0.101143 N\n0.489983 0.307290 0.398857 N\n0.307290 0.489983 0.898857 N\n0.510017 0.692710 0.601143 N\n",
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{
"id": "mp-1074122",
"created_at": "2022-09-04T14:40:15.437938Z",
"structure_string": "Mg8 Si14\n1.0\n4.060992 0.000000 0.000000\n0.367462 8.132392 0.000000\n1.106330 1.475399 12.624182\nMg Si\n8 14\ndirect\n0.137509 0.131378 0.083903 Mg\n0.492484 0.390819 0.539194 Mg\n0.941377 0.163031 0.688958 Mg\n0.026454 0.642213 0.386570 Mg\n0.075024 0.500393 0.174242 Mg\n0.431678 0.412293 0.783257 Mg\n0.966566 0.827068 0.568953 Mg\n0.057685 0.176281 0.384790 Mg\n0.625034 0.381738 0.010957 Si\n0.405031 0.747012 0.015117 Si\n0.099672 0.544462 0.949029 Si\n0.749025 0.154802 0.904230 Si\n0.495833 0.877642 0.424728 Si\n0.473914 0.053604 0.569940 Si\n0.275238 0.988043 0.895030 Si\n0.202335 0.825138 0.186339 Si\n0.560423 0.432321 0.331122 Si\n0.880745 0.685596 0.780299 Si\n0.961594 0.501183 0.642011 Si\n0.590025 0.254032 0.202043 Si\n0.672913 0.956541 0.240081 Si\n0.386688 0.858000 0.735622 Si\n",
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{
"id": "mp-1074891",
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"structure_string": "Mg14 Si8\n1.0\n3.549806 0.000000 0.000000\n0.000000 8.512806 0.000000\n0.000000 0.584741 14.816505\nMg Si\n14 8\ndirect\n0.500000 0.131572 0.886240 Mg\n0.500000 0.504259 0.506986 Mg\n0.000000 0.347017 0.370601 Mg\n0.000000 0.595382 0.663519 Mg\n0.500000 0.667497 0.824539 Mg\n0.500000 0.222268 0.218953 Mg\n0.000000 0.759864 0.413187 Mg\n0.000000 0.212398 0.571051 Mg\n0.000000 0.272719 0.039367 Mg\n0.000000 0.846488 0.947711 Mg\n0.500000 0.571090 0.033502 Mg\n0.500000 0.985528 0.082945 Mg\n0.500000 0.867093 0.583418 Mg\n0.500000 0.059889 0.405969 Mg\n0.000000 0.770137 0.156382 Si\n0.000000 0.916544 0.752662 Si\n0.500000 0.366419 0.745268 Si\n0.500000 0.566422 0.295130 Si\n0.000000 0.485326 0.187258 Si\n0.000000 0.407829 0.853792 Si\n0.500000 0.090160 0.706633 Si\n0.500000 0.857701 0.258498 Si\n",
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},
{
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"structure_string": "Mg14 Si8\n1.0\n5.368909 0.000000 0.000000\n-0.149556 5.949884 0.000000\n-0.725163 -2.877143 13.631207\nMg Si\n14 8\ndirect\n0.358169 0.861412 0.868194 Mg\n0.946747 0.148122 0.777679 Mg\n0.493825 0.991145 0.478416 Mg\n0.200061 0.532077 0.667147 Mg\n0.481843 0.374795 0.872829 Mg\n0.264918 0.640062 0.282887 Mg\n0.361952 0.141351 0.285517 Mg\n0.481310 0.493700 0.473506 Mg\n0.007591 0.522134 0.996470 Mg\n0.862778 0.012645 0.976352 Mg\n0.517317 0.741573 0.097593 Mg\n0.412493 0.232803 0.074835 Mg\n0.003154 0.756866 0.491999 Mg\n0.981034 0.237836 0.452982 Mg\n0.946069 0.298922 0.157697 Si\n0.861439 0.665036 0.813651 Si\n0.382624 0.051940 0.679813 Si\n0.765560 0.866067 0.302879 Si\n0.009463 0.890502 0.157033 Si\n0.705924 0.755482 0.654213 Si\n0.698879 0.327977 0.631784 Si\n0.756878 0.464982 0.310215 Si\n",
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"spacegroup": 1
},
{
"id": "mp-1190581",
"created_at": "2022-09-04T14:45:35.791090Z",
"structure_string": "Re8 Si14\n1.0\n0.000000 3.158900 0.000000\n0.415481 0.000000 -8.333422\n-11.649637 -1.579450 0.000000\nRe Si\n8 14\ndirect\n0.149103 0.588715 0.298206 Re\n0.274281 0.479876 0.548562 Re\n0.398329 0.366614 0.796657 Re\n0.522842 0.223691 0.045684 Re\n0.652366 0.109696 0.304732 Re\n0.768564 0.969969 0.537129 Re\n0.898463 0.850088 0.796926 Re\n0.023765 0.715986 0.047531 Re\n0.182967 0.889461 0.365935 Si\n0.316279 0.788114 0.632557 Si\n0.441997 0.655228 0.883994 Si\n0.567704 0.523632 0.135409 Si\n0.690199 0.394451 0.380397 Si\n0.826546 0.234946 0.653091 Si\n0.995636 0.000231 0.991271 Si\n0.104901 0.294120 0.209801 Si\n0.234744 0.184223 0.469487 Si\n0.730073 0.684764 0.460147 Si\n0.855523 0.560365 0.711046 Si\n0.980863 0.421546 0.961726 Si\n0.578446 0.896825 0.156892 Si\n0.414279 0.080855 0.828558 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Re",
"Si"
],
"chemical_system": "Re-Si",
"density": 10.195155787249252,
"density_atomic": 0.07173829243852502,
"volume": 306.6702489308976,
"volume_molar": 8.39459729984593,
"formula_full": "Re8 Si14",
"formula_reduced": "Re4Si7",
"formula_anonymous": "A4B7",
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"updated_at": "2021-11-28T01:37:08.536000Z",
"spacegroup": 8
},
{
"id": "mp-1074856",
"created_at": "2022-09-04T14:45:35.518062Z",
"structure_string": "Mg14 Si8\n1.0\n5.379307 0.000000 0.000000\n-0.389354 6.050589 0.000000\n-2.259112 -2.467374 13.420391\nMg Si\n14 8\ndirect\n0.312062 0.960631 0.202953 Mg\n0.222651 0.503585 0.266807 Mg\n0.925503 0.892154 0.362164 Mg\n0.731520 0.334185 0.333210 Mg\n0.985715 0.500296 0.038333 Mg\n0.230722 0.905323 0.579812 Mg\n0.165759 0.352996 0.837177 Mg\n0.393112 0.432695 0.656894 Mg\n0.481180 0.249030 0.049361 Mg\n0.480907 0.734776 0.010141 Mg\n0.979021 0.976389 0.980854 Mg\n0.317798 0.871418 0.805934 Mg\n0.822191 0.225938 0.548547 Mg\n0.658860 0.684960 0.512116 Mg\n0.672786 0.213853 0.863983 Si\n0.807799 0.019189 0.166376 Si\n0.714132 0.612861 0.189499 Si\n0.909322 0.619951 0.695665 Si\n0.707293 0.598290 0.843314 Si\n0.434183 0.967960 0.402224 Si\n0.268173 0.331862 0.448781 Si\n0.775650 0.004210 0.702125 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.147697108126066,
"density_atomic": 0.05036554384744494,
"volume": 436.8065609821876,
"volume_molar": 11.956866341482991,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.09455905,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:07.482000Z",
"spacegroup": 1
}
]
}