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{
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{
"id": "mp-1234228",
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"structure_string": "Dy6 Mg1 Sb10 O24\n1.0\n-5.365272 5.399169 5.399169\n5.512768 -5.320116 5.470994\n5.512768 5.470994 -5.320116\nDy Mg Sb O\n6 1 10 24\ndirect\n0.750363 0.258546 0.509601 Dy\n0.750363 0.509601 0.258546 Dy\n0.504782 0.266871 0.752905 Dy\n0.504782 0.752905 0.266871 Dy\n0.268394 0.758192 0.512817 Dy\n0.268394 0.512817 0.758192 Dy\n0.673019 0.698965 0.698965 Mg\n0.524345 0.011823 0.011823 Sb\n0.271676 0.993995 0.282340 Sb\n0.271676 0.282340 0.993995 Sb\n0.753846 0.052310 0.761019 Sb\n0.753846 0.761019 0.052310 Sb\n0.998977 0.529299 0.004010 Sb\n0.998977 0.004010 0.529299 Sb\n0.422447 0.420388 0.420388 Sb\n0.989683 0.284074 0.284074 Sb\n0.032042 0.731411 0.731411 Sb\n0.470047 0.993252 0.198212 O\n0.470047 0.198212 0.993252 O\n0.705797 0.523255 0.006228 O\n0.705797 0.006228 0.523255 O\n0.783837 0.296020 0.296020 O\n0.484442 0.487390 0.192581 O\n0.484442 0.192581 0.487390 O\n0.515245 0.714653 0.011083 O\n0.515245 0.011083 0.714653 O\n0.683309 0.507911 0.507911 O\n0.789207 0.310669 0.795500 O\n0.789207 0.795500 0.310669 O\n0.195535 0.481949 0.998102 O\n0.195535 0.998102 0.481949 O\n0.478426 0.670180 0.484667 O\n0.478426 0.484667 0.670180 O\n0.980980 0.471498 0.188810 O\n0.980980 0.188810 0.471498 O\n0.291216 0.795853 0.299494 O\n0.291216 0.299494 0.795853 O\n0.181646 0.492948 0.492948 O\n0.003795 0.702323 0.506151 O\n0.003795 0.506151 0.702323 O\n0.291359 0.803421 0.803421 O\n",
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{
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"structure_string": "Ca4 W8 O16\n1.0\n5.686212 0.000000 0.000000\n0.000000 6.568653 0.000000\n0.000000 0.000000 11.165776\nCa W O\n4 8 16\ndirect\n0.353503 0.000000 0.500000 Ca\n0.646497 0.500000 0.000000 Ca\n0.033617 0.000000 0.000000 Ca\n0.966383 0.500000 0.500000 Ca\n0.012214 0.500000 0.233698 W\n0.012214 0.500000 0.766302 W\n0.987786 0.000000 0.266302 W\n0.987786 0.000000 0.733698 W\n0.500000 0.250000 0.250000 W\n0.500000 0.750000 0.750000 W\n0.500000 0.750000 0.250000 W\n0.500000 0.250000 0.750000 W\n0.356094 0.500000 0.146537 O\n0.356094 0.500000 0.853463 O\n0.643906 0.000000 0.353463 O\n0.643906 0.000000 0.646537 O\n0.691983 0.500000 0.338803 O\n0.691983 0.500000 0.661197 O\n0.308017 0.000000 0.161197 O\n0.308017 0.000000 0.838803 O\n0.164707 0.256778 0.353468 O\n0.164707 0.743222 0.646532 O\n0.835293 0.756778 0.146532 O\n0.835293 0.243222 0.853468 O\n0.835293 0.243222 0.146532 O\n0.835293 0.756778 0.853468 O\n0.164707 0.743222 0.353468 O\n0.164707 0.256778 0.646532 O\n",
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"elements": [
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"formula_full": "Ca4 W8 O16",
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},
{
"id": "mp-13068",
"created_at": "2022-09-04T14:40:18.966202Z",
"structure_string": "Lu2 O3\n1.0\n1.783920 -3.089840 0.000000\n1.783920 3.089840 0.000000\n0.000000 0.000000 5.767486\nLu O\n2 3\ndirect\n0.666667 0.333333 0.749473 Lu\n0.333333 0.666667 0.250527 Lu\n0.666667 0.333333 0.353973 O\n0.333333 0.666667 0.646027 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:41:14.395226Z",
"structure_string": "As4 C4 S4 F44\n1.0\n11.372758 0.000000 0.000000\n0.000000 6.378019 0.000000\n0.000000 2.190893 11.714721\nAs C S F\n4 4 4 44\ndirect\n0.016118 0.163147 0.218441 As\n0.983882 0.836853 0.781559 As\n0.483882 0.163147 0.718441 As\n0.516118 0.836853 0.281559 As\n0.790560 0.488345 0.515736 C\n0.209440 0.511655 0.484264 C\n0.709440 0.488345 0.015736 C\n0.290560 0.511655 0.984264 C\n0.326813 0.692293 0.547170 S\n0.673187 0.307707 0.452830 S\n0.826813 0.307707 0.952830 S\n0.173187 0.692293 0.047170 S\n0.575597 0.661276 0.406638 F\n0.782547 0.366929 0.826151 F\n0.756452 0.093816 0.984328 F\n0.371934 0.780841 0.347468 F\n0.500697 0.386300 0.784208 F\n0.128066 0.780841 0.847468 F\n0.217453 0.633071 0.173849 F\n0.075597 0.338724 0.093362 F\n0.527128 0.049892 0.358364 F\n0.871934 0.219159 0.152532 F\n0.999303 0.386300 0.284208 F\n0.924403 0.661276 0.906638 F\n0.472872 0.950108 0.641636 F\n0.972872 0.049892 0.858364 F\n0.450165 0.003083 0.165926 F\n0.658403 0.886896 0.227528 F\n0.733817 0.599454 0.582596 F\n0.233817 0.400546 0.917404 F\n0.282547 0.633071 0.673849 F\n0.027128 0.950108 0.141636 F\n0.630687 0.357135 0.073841 F\n0.256452 0.906184 0.515672 F\n0.424403 0.338724 0.593362 F\n0.659855 0.615844 0.927850 F\n0.159855 0.384156 0.572150 F\n0.840145 0.615844 0.427850 F\n0.743548 0.093816 0.484328 F\n0.841597 0.886896 0.727528 F\n0.869313 0.357135 0.573841 F\n0.549835 0.996917 0.834074 F\n0.000697 0.613700 0.715792 F\n0.130687 0.642865 0.426159 F\n0.341597 0.113104 0.772472 F\n0.499303 0.613700 0.215792 F\n0.158403 0.113104 0.272472 F\n0.950165 0.996917 0.334074 F\n0.717453 0.366929 0.326151 F\n0.243548 0.906184 0.015672 F\n0.049835 0.003083 0.665926 F\n0.266183 0.400546 0.417404 F\n0.766183 0.599454 0.082596 F\n0.369313 0.642865 0.926159 F\n0.340145 0.384156 0.072150 F\n0.628066 0.219159 0.652532 F\n",
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{
"id": "mp-1234204",
"created_at": "2022-09-04T14:39:36.704227Z",
"structure_string": "Mg1 Al4 H12 O12\n1.0\n-4.148666 2.630391 4.946145\n4.785708 -1.959090 5.752910\n4.088947 2.156671 -6.340248\nMg Al H O\n1 4 12 12\ndirect\n0.789872 0.119270 0.419899 Mg\n0.397860 0.815248 0.261056 Al\n0.545919 0.154780 0.709809 Al\n0.944959 0.670729 0.599101 Al\n0.042194 0.344854 0.347228 Al\n0.010565 0.032676 0.781770 H\n0.933654 0.990394 0.188206 H\n0.638707 0.499324 0.922884 H\n0.340189 0.442297 0.122851 H\n0.155554 0.703891 0.446417 H\n0.171399 0.437042 0.789673 H\n0.254152 0.142418 0.226036 H\n0.626170 0.827092 0.691524 H\n0.543274 0.745945 0.042147 H\n0.404202 0.229558 0.942314 H\n0.161957 0.248035 0.869843 H\n0.812744 0.591884 0.803696 H\n0.871363 0.906762 0.588990 O\n0.065923 0.093551 0.391667 O\n0.508519 0.415096 0.712186 O\n0.488360 0.581956 0.250942 O\n0.002904 0.604136 0.382689 O\n0.989789 0.420956 0.577837 O\n0.447401 0.088908 0.371147 O\n0.439081 0.866857 0.543727 O\n0.407214 0.819706 0.010803 O\n0.586565 0.208084 0.992303 O\n0.994365 0.234553 0.065440 O\n0.948829 0.708372 0.872494 O\n",
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{
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{
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{
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"structure_string": "Pr2 As2 O8\n1.0\n-2.599527 2.599527 5.926529\n2.599527 -2.599527 5.926529\n2.599527 2.599527 -5.926529\nPr As O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.250000 0.750000 0.500000 As\n0.500000 0.500000 0.000000 As\n0.307639 0.920852 0.882811 O\n0.038041 0.424829 0.117189 O\n0.174829 0.557639 0.886787 O\n0.670852 0.288041 0.113213 O\n0.442361 0.329148 0.617189 O\n0.711959 0.825171 0.382811 O\n0.575171 0.692361 0.613213 O\n0.079148 0.961959 0.386787 O\n",
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},
{
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"structure_string": "K4 Na8 Be4 O10\n1.0\n5.997685 0.000000 0.000000\n0.000000 5.997685 0.000000\n0.000000 0.000000 10.120441\nK Na Be O\n4 8 4 10\ndirect\n0.319739 0.319739 0.000000 K\n0.180261 0.819739 0.500000 K\n0.819739 0.180261 0.500000 K\n0.680261 0.680261 0.000000 K\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.000000 0.000000 0.225599 Na\n0.500000 0.500000 0.725599 Na\n0.500000 0.500000 0.274401 Na\n0.000000 0.000000 0.774401 Na\n0.686973 0.686973 0.500000 Be\n0.313027 0.313027 0.500000 Be\n0.813027 0.186973 0.000000 Be\n0.186973 0.813027 0.000000 Be\n0.226349 0.226349 0.363203 O\n0.273651 0.726349 0.863203 O\n0.773651 0.773651 0.636797 O\n0.726349 0.273651 0.136797 O\n0.273651 0.726349 0.136797 O\n0.226349 0.226349 0.636797 O\n0.773651 0.773651 0.363203 O\n0.000000 0.000000 0.000000 O\n0.726349 0.273651 0.863203 O\n0.500000 0.500000 0.500000 O\n",
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],
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"formula_full": "K4 Na8 Be4 O10",
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{
"id": "mp-1245188",
"created_at": "2022-09-04T14:45:59.259644Z",
"structure_string": "Ga50 N50\n1.0\n11.740337 -0.784177 -0.314302\n-0.783745 11.023232 -0.239666\n-0.315323 -0.252956 12.048794\nGa N\n50 50\ndirect\n0.080376 0.091106 0.457547 Ga\n0.065313 0.590613 0.296333 Ga\n0.752981 0.877565 0.077910 Ga\n0.072716 0.850005 0.790045 Ga\n0.193248 0.194405 0.199138 Ga\n0.463102 0.957139 0.792694 Ga\n0.524837 0.685274 0.675116 Ga\n0.965537 0.256910 0.303042 Ga\n0.290793 0.059375 0.513289 Ga\n0.545808 0.984516 0.255326 Ga\n0.130872 0.793191 0.475417 Ga\n0.296249 0.966588 0.066568 Ga\n0.484170 0.217933 0.178791 Ga\n0.750089 0.390569 0.169597 Ga\n0.101752 0.438829 0.476972 Ga\n0.576481 0.051389 0.996340 Ga\n0.071220 0.046263 0.676863 Ga\n0.338409 0.603639 0.867505 Ga\n0.926231 0.855260 0.600683 Ga\n0.164849 0.530842 0.126644 Ga\n0.773273 0.054016 0.457571 Ga\n0.539805 0.184691 0.776571 Ga\n0.933297 0.584551 0.470844 Ga\n0.825344 0.186491 0.984378 Ga\n0.409708 0.172197 0.373930 Ga\n0.301314 0.833416 0.884814 Ga\n0.868821 0.675679 0.070868 Ga\n0.308526 0.445756 0.274815 Ga\n0.534048 0.802303 0.104980 Ga\n0.754244 0.103797 0.240248 Ga\n0.891285 0.446084 0.669746 Ga\n0.938545 0.194212 0.580604 Ga\n0.503268 0.940376 0.539007 Ga\n0.714871 0.595939 0.634389 Ga\n0.233009 0.881306 0.253088 Ga\n0.160444 0.580997 0.728151 Ga\n0.552154 0.447454 0.767685 Ga\n0.703406 0.898490 0.685795 Ga\n0.865894 0.728103 0.818066 Ga\n0.954439 0.830046 0.322685 Ga\n0.740775 0.330762 0.447176 Ga\n0.985928 0.372107 0.074071 Ga\n0.001230 0.988060 0.149958 Ga\n0.687084 0.208187 0.624645 Ga\n0.598315 0.744349 0.906299 Ga\n0.292774 0.814755 0.614003 Ga\n0.318814 0.726245 0.105559 Ga\n0.429551 0.722784 0.392073 Ga\n0.619190 0.292921 0.954541 Ga\n0.763257 0.469775 0.912293 Ga\n0.576052 0.408845 0.397152 N\n0.307351 0.155319 0.854778 N\n0.341868 0.973206 0.364539 N\n0.663700 0.007057 0.573461 N\n0.957275 0.762475 0.473068 N\n0.797166 0.769758 0.669755 N\n0.849545 0.273393 0.676723 N\n0.440974 0.761347 0.560325 N\n0.923983 0.073828 0.265073 N\n0.407851 0.371904 0.004273 N\n0.605481 0.313580 0.111761 N\n0.493823 0.600959 0.821122 N\n0.302239 0.517979 0.509094 N\n0.798908 0.495998 0.530759 N\n0.221437 0.297322 0.661721 N\n0.832461 0.015855 0.770024 N\n0.077049 0.296005 0.194365 N\n0.657164 0.763527 0.392167 N\n0.376410 0.982770 0.626511 N\n0.773442 0.749697 0.951449 N\n0.011323 0.657850 0.962282 N\n0.075033 0.590044 0.944310 N\n0.289322 0.147211 0.944962 N\n0.110053 0.779971 0.315575 N\n0.624618 0.549245 0.213394 N\n0.199362 0.763481 0.745612 N\n0.042679 0.516548 0.614894 N\n0.457100 0.047123 0.114135 N\n0.535693 0.576141 0.202039 N\n0.042852 0.348349 0.865518 N\n0.727567 0.718174 0.355698 N\n0.031826 0.262307 0.456231 N\n0.950493 0.003248 0.359905 N\n0.343187 0.529118 0.597485 N\n0.169003 0.018935 0.166457 N\n0.896844 0.828100 0.161729 N\n0.377991 0.464715 0.007208 N\n0.126284 0.311067 0.859210 N\n0.990939 0.067550 0.994560 N\n0.838663 0.500636 0.070957 N\n0.804133 0.298176 0.290256 N\n0.508413 0.459151 0.434701 N\n0.450816 0.926739 0.379105 N\n0.312428 0.282880 0.649031 N\n0.885821 0.100852 0.813545 N\n0.741035 0.054742 0.073044 N\n0.579919 0.841316 0.771390 N\n0.060060 0.060576 0.930470 N\n0.344254 0.274254 0.239286 N\n0.823927 0.548564 0.782063 N\n",
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"elements": [
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],
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"volume": 1549.98131635035,
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"formula_full": "Ga50 N50",
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"updated_at": "2021-11-28T01:37:18.212000Z",
"spacegroup": 1
}
]
}