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{
"id": "mp-1113817",
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{
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{
"id": "mp-1208563",
"created_at": "2022-09-04T14:41:50.450552Z",
"structure_string": "Tb8 Sc12 Si16\n1.0\n7.116026 0.000000 0.000000\n0.000000 7.403734 0.000000\n0.000000 0.000000 14.041390\nTb Sc Si\n8 12 16\ndirect\n0.011981 0.174118 0.097319 Tb\n0.988019 0.825882 0.902681 Tb\n0.488019 0.674118 0.902681 Tb\n0.988019 0.825882 0.597319 Tb\n0.511981 0.325882 0.097319 Tb\n0.011981 0.174118 0.402681 Tb\n0.511981 0.325882 0.402681 Tb\n0.488019 0.674118 0.597319 Tb\n0.160812 0.502560 0.750000 Sc\n0.839188 0.497440 0.250000 Sc\n0.339188 0.002560 0.250000 Sc\n0.660812 0.997440 0.750000 Sc\n0.329946 0.176496 0.624879 Sc\n0.670054 0.823504 0.375121 Sc\n0.170054 0.676496 0.375121 Sc\n0.670054 0.823504 0.124879 Sc\n0.829946 0.323504 0.624879 Sc\n0.329946 0.176496 0.875121 Sc\n0.829946 0.323504 0.875121 Sc\n0.170054 0.676496 0.124879 Sc\n0.033344 0.120131 0.750000 Si\n0.966656 0.879869 0.250000 Si\n0.466656 0.620131 0.250000 Si\n0.533344 0.379869 0.750000 Si\n0.286074 0.875862 0.750000 Si\n0.713926 0.124138 0.250000 Si\n0.213926 0.375862 0.250000 Si\n0.786074 0.624138 0.750000 Si\n0.156596 0.464234 0.539424 Si\n0.843404 0.535766 0.460576 Si\n0.343404 0.964234 0.460576 Si\n0.843404 0.535766 0.039424 Si\n0.656596 0.035766 0.539424 Si\n0.156596 0.464234 0.960576 Si\n0.656596 0.035766 0.960576 Si\n0.343404 0.964234 0.039424 Si\n",
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{
"id": "mp-1192866",
"created_at": "2022-09-04T14:41:50.492619Z",
"structure_string": "La2 Br6 O14\n1.0\n6.750866 0.665952 0.925399\n0.893317 8.202393 0.652721\n-1.120402 -1.557779 7.819698\nLa Br O\n2 6 14\ndirect\n0.801857 0.736628 0.785242 La\n0.198143 0.263372 0.214758 La\n0.330961 0.773575 0.016619 Br\n0.669039 0.226425 0.983381 Br\n0.274852 0.656831 0.551377 Br\n0.725148 0.343169 0.448623 Br\n0.156222 0.301366 0.727105 Br\n0.843778 0.698634 0.272895 Br\n0.938119 0.440317 0.789056 O\n0.061881 0.559683 0.210944 O\n0.116874 0.764480 0.901465 O\n0.883126 0.235520 0.098535 O\n0.703490 0.026571 0.877995 O\n0.296510 0.973429 0.122005 O\n0.532822 0.639029 0.634911 O\n0.467178 0.360971 0.365089 O\n0.711324 0.701474 0.076725 O\n0.288676 0.298526 0.923275 O\n0.509246 0.012856 0.577340 O\n0.490754 0.987144 0.422660 O\n0.969319 0.731059 0.523791 O\n0.030681 0.268941 0.476209 O\n",
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"volume": 441.9440017452633,
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{
"id": "mp-773200",
"created_at": "2022-09-04T14:41:50.455017Z",
"structure_string": "Li4 V4 B8 O20\n1.0\n5.223537 5.143940 0.000000\n-5.223537 5.143940 0.000000\n0.000000 4.876613 8.534175\nLi V B O\n4 4 8 20\ndirect\n0.839960 0.160040 0.750000 Li\n0.379555 0.620445 0.750000 Li\n0.620445 0.379555 0.250000 Li\n0.160040 0.839960 0.250000 Li\n0.958979 0.642932 0.650476 V\n0.642932 0.958979 0.150476 V\n0.357068 0.041021 0.849524 V\n0.041021 0.357068 0.349524 V\n0.761077 0.772493 0.903568 B\n0.736258 0.401814 0.975422 B\n0.772493 0.761077 0.403568 B\n0.401814 0.736258 0.475422 B\n0.598186 0.263742 0.524578 B\n0.227507 0.238923 0.596432 B\n0.263742 0.598186 0.024578 B\n0.238923 0.227507 0.096432 B\n0.703895 0.918745 0.958914 O\n0.854461 0.824530 0.746850 O\n0.918745 0.703895 0.458914 O\n0.814317 0.402566 0.827884 O\n0.334334 0.763950 0.890510 O\n0.824530 0.854461 0.246850 O\n0.574829 0.718215 0.511333 O\n0.281785 0.425171 0.988667 O\n0.402566 0.814317 0.327884 O\n0.763950 0.334334 0.390510 O\n0.236050 0.665666 0.609490 O\n0.597434 0.185683 0.672116 O\n0.718215 0.574829 0.011333 O\n0.425171 0.281785 0.488667 O\n0.175470 0.145539 0.753150 O\n0.665666 0.236050 0.109490 O\n0.185683 0.597434 0.172116 O\n0.081255 0.296105 0.541086 O\n0.145539 0.175470 0.253150 O\n0.296105 0.081255 0.041086 O\n",
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{
"id": "mp-865944",
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"structure_string": "Th1 Sn1 Ru2\n1.0\n0.000000 3.403072 3.403072\n3.403072 0.000000 3.403072\n3.403072 3.403072 0.000000\nTh Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
"id": "mp-1175963",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.813164 0.000000 0.000000\n2.888882 5.062830 0.000000\n1.498786 0.833191 9.630532\nLi Mn Co O\n9 2 5 16\ndirect\n0.874189 0.875406 0.754333 Li\n0.618071 0.137489 0.242951 Li\n0.380454 0.374302 0.754491 Li\n0.387992 0.857410 0.760753 Li\n0.124631 0.126122 0.245679 Li\n0.865235 0.383739 0.753189 Li\n0.134222 0.615691 0.244418 Li\n0.619776 0.626019 0.245330 Li\n0.500212 0.499449 0.000380 Li\n0.001027 0.999601 0.999553 Mn\n0.748845 0.251632 0.499417 Mn\n0.248032 0.751410 0.500866 Co\n0.500198 0.999787 0.000471 Co\n0.249911 0.248730 0.500705 Co\n0.000664 0.499528 0.999497 Co\n0.749696 0.751098 0.499483 Co\n0.166707 0.695984 0.889943 O\n0.933259 0.954531 0.384940 O\n0.692630 0.163564 0.893213 O\n0.677203 0.712219 0.890456 O\n0.422155 0.938550 0.384735 O\n0.194448 0.167225 0.888096 O\n0.451659 0.429310 0.380797 O\n0.933151 0.424496 0.383806 O\n0.565949 0.079335 0.614650 O\n0.323331 0.288456 0.109015 O\n0.077836 0.557849 0.616978 O\n0.043038 0.074801 0.616594 O\n0.835016 0.304442 0.107741 O\n0.565691 0.546507 0.617584 O\n0.807798 0.830537 0.111939 O\n0.306975 0.834785 0.107992 O\n",
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{
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{
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"formula_full": "Te6 Mo2 W2 Se2",
"formula_reduced": "Te3MoWSe",
"formula_anonymous": "ABCD3",
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"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 156
},
{
"id": "mp-1183242",
"created_at": "2022-09-04T14:41:50.483983Z",
"structure_string": "B1 Pd1 O3\n1.0\n3.428706 0.000000 0.000000\n0.000000 3.428706 0.000000\n0.000000 0.000000 3.428706\nB Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"Pd",
"O"
],
"chemical_system": "B-O-Pd",
"density": 6.806833934712135,
"density_atomic": 0.12404499960947275,
"volume": 40.30795288597972,
"volume_molar": 4.8548033205363605,
"formula_full": "B1 Pd1 O3",
"formula_reduced": "BPdO3",
"formula_anonymous": "ABC3",
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"total_magnetization": 1.7470208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.401000Z",
"spacegroup": 221
}
]
}