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{
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{
"id": "mp-572597",
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"structure_string": "Sb12 P12 S48\n1.0\n6.387481 0.000000 0.000000\n0.386242 13.826200 0.000000\n0.016213 0.061050 23.787541\nSb P S\n12 12 48\ndirect\n0.119911 0.503250 0.682485 Sb\n0.860387 0.776917 0.089853 Sb\n0.348933 0.002908 0.182926 Sb\n0.637000 0.276597 0.589563 Sb\n0.848168 0.977034 0.343475 Sb\n0.651067 0.997092 0.817074 Sb\n0.139613 0.223083 0.910147 Sb\n0.880089 0.496750 0.317515 Sb\n0.363000 0.723403 0.410437 Sb\n0.623686 0.476605 0.843083 Sb\n0.151832 0.022966 0.656525 Sb\n0.376314 0.523395 0.156917 Sb\n0.621251 0.294603 0.942069 P\n0.104491 0.560544 0.823049 P\n0.378749 0.705397 0.057931 P\n0.394109 0.485003 0.369219 P\n0.861637 0.015117 0.131166 P\n0.642330 0.939483 0.676503 P\n0.872057 0.794982 0.442464 P\n0.138363 0.984883 0.868834 P\n0.357670 0.060517 0.323497 P\n0.127943 0.205018 0.557536 P\n0.895509 0.439456 0.176951 P\n0.605891 0.514997 0.630781 P\n0.623562 0.131824 0.348432 S\n0.331172 0.586854 0.606381 S\n0.439070 0.922178 0.301743 S\n0.449375 0.741244 0.138519 S\n0.750508 0.431478 0.940522 S\n0.652668 0.120853 0.157087 S\n0.326471 0.296105 0.517138 S\n0.040448 0.422217 0.801224 S\n0.692540 0.425059 0.111051 S\n0.668828 0.413146 0.393619 S\n0.249492 0.568522 0.059478 S\n0.273323 0.068069 0.559062 S\n0.751653 0.444129 0.563354 S\n0.801716 0.620950 0.656537 S\n0.351229 0.292706 0.990598 S\n0.237214 0.626745 0.753154 S\n0.872105 0.912800 0.892901 S\n0.959552 0.577783 0.198776 S\n0.857467 0.207085 0.509160 S\n0.170462 0.368593 0.151793 S\n0.762786 0.373255 0.246846 S\n0.152719 0.075172 0.389396 S\n0.307460 0.574941 0.888949 S\n0.830322 0.203252 0.982357 S\n0.537862 0.413116 0.689467 S\n0.274629 0.055598 0.936383 S\n0.673529 0.703895 0.482862 S\n0.550625 0.258756 0.861481 S\n0.725371 0.944402 0.063617 S\n0.347332 0.879147 0.842913 S\n0.829538 0.631407 0.848207 S\n0.169678 0.796748 0.017643 S\n0.142533 0.792915 0.490840 S\n0.248347 0.555871 0.436646 S\n0.127895 0.087200 0.107099 S\n0.376438 0.868176 0.651568 S\n0.462138 0.586884 0.310533 S\n0.560930 0.077822 0.698257 S\n0.053103 0.241106 0.638106 S\n0.216262 0.126167 0.253610 S\n0.726677 0.931931 0.440938 S\n0.058509 0.087037 0.810278 S\n0.198284 0.379050 0.343463 S\n0.941491 0.912963 0.189722 S\n0.648771 0.707294 0.009402 S\n0.783738 0.873833 0.746390 S\n0.847281 0.924828 0.610604 S\n0.946897 0.758894 0.361894 S\n",
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"spacegroup": 2
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{
"id": "mp-24809",
"created_at": "2022-09-04T14:45:07.170321Z",
"structure_string": "Ca2 H4\n1.0\n1.907575 -3.304017 0.000000\n1.907575 3.304017 0.000000\n0.000000 0.000000 5.338972\nCa H\n2 4\ndirect\n0.666667 0.333333 0.750000 Ca\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.250000 H\n0.333333 0.666667 0.750000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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{
"id": "mp-1096376",
"created_at": "2022-09-04T14:45:07.176383Z",
"structure_string": "Hf1 Sc1 Pd2\n1.0\n-4.965714 5.383749 7.870506\n4.965714 -5.383749 7.870506\n4.965714 5.383749 -7.870506\nHf Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sc\n0.000000 0.259363 0.259363 Pd\n0.000000 0.740637 0.740637 Pd\n",
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{
"id": "mp-1224615",
"created_at": "2022-09-04T14:45:07.177094Z",
"structure_string": "Gd1 Dy1 Ni2\n1.0\n1.874805 -5.121529 0.000000\n1.874805 5.121529 0.000000\n0.000000 0.000000 4.186224\nGd Dy Ni\n1 1 2\ndirect\n0.860447 0.139553 0.500000 Gd\n0.138977 0.861023 0.000000 Dy\n0.426414 0.573586 0.000000 Ni\n0.574161 0.425839 0.500000 Ni\n",
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{
"id": "mp-1247040",
"created_at": "2022-09-04T14:45:07.178535Z",
"structure_string": "Sr8 Mn3 N8\n1.0\n9.785311 0.006284 0.014861\n1.450137 5.132416 0.000000\n2.047236 -0.578436 7.238238\nSr Mn N\n8 3 8\ndirect\n0.057421 0.971289 0.733869 Sr\n0.942579 0.028711 0.266131 Sr\n0.663999 0.668000 0.471690 Sr\n0.336001 0.332000 0.528310 Sr\n0.800417 0.599792 0.953073 Sr\n0.199583 0.400208 0.046927 Sr\n0.399906 0.800048 0.195809 Sr\n0.600094 0.199952 0.804191 Sr\n0.000000 0.500000 0.500000 Mn\n0.371381 0.814310 0.796746 Mn\n0.628619 0.185690 0.203254 Mn\n0.210355 0.894823 0.987924 N\n0.789645 0.105177 0.012076 N\n0.355058 0.822471 0.573494 N\n0.644942 0.177529 0.426506 N\n0.547839 0.726081 0.831878 N\n0.452161 0.273919 0.168122 N\n0.950831 0.524585 0.295117 N\n0.049169 0.475415 0.704883 N\n",
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"formula_full": "Sr8 Mn3 N8",
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{
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{
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{
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"structure_string": "Li8 V4 P4 H4 O20\n1.0\n-0.595968 -2.028319 4.954019\n2.703322 5.222294 4.947159\n-7.848886 7.478698 -0.121066\nLi V P H O\n8 4 4 4 20\ndirect\n0.018099 0.499174 0.345718 Li\n0.518283 0.998308 0.846049 Li\n0.981904 0.500589 0.654386 Li\n0.481832 0.001600 0.154039 Li\n0.224013 0.536480 0.147942 Li\n0.724069 0.036734 0.648196 Li\n0.775998 0.463376 0.852121 Li\n0.275817 0.963337 0.351836 Li\n0.499773 0.500139 0.499909 V\n0.749756 0.250045 0.250265 V\n0.249948 0.750203 0.749613 V\n0.000284 0.999774 0.000043 V\n0.366338 0.306532 0.934759 P\n0.866006 0.806709 0.434545 P\n0.633643 0.693433 0.065308 P\n0.133931 0.193424 0.565381 P\n0.109879 0.223307 0.137904 H\n0.611639 0.723014 0.638190 H\n0.890204 0.776549 0.862109 H\n0.388432 0.276918 0.361875 H\n0.422355 0.394231 0.329381 O\n0.923930 0.893868 0.829603 O\n0.577643 0.605781 0.670610 O\n0.076101 0.106109 0.170405 O\n0.404691 0.319139 0.078893 O\n0.904476 0.820250 0.578412 O\n0.595304 0.680846 0.921106 O\n0.095369 0.180289 0.421400 O\n0.841245 0.503692 0.163026 O\n0.342173 0.003946 0.663157 O\n0.158803 0.496278 0.836996 O\n0.657904 0.996113 0.336719 O\n0.247820 0.147773 0.922461 O\n0.747875 0.647686 0.422562 O\n0.752215 0.852179 0.077558 O\n0.252112 0.352279 0.577484 O\n0.639811 0.254332 0.899776 O\n0.139575 0.754408 0.399688 O\n0.360353 0.745552 0.100265 O\n0.860397 0.245612 0.600311 O\n",
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},
{
"id": "mp-1227822",
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"structure_string": "Ba2 Si4 N4 O4\n1.0\n0.000000 0.000000 4.883459\n0.000000 5.388295 0.000000\n-7.277597 2.694147 0.000000\nBa Si N O\n2 4 4 4\ndirect\n0.225951 0.244435 0.000000 Ba\n0.725951 0.755565 0.000000 Ba\n0.770803 0.538571 0.599554 Si\n0.270803 0.861875 0.599554 Si\n0.270803 0.461429 0.400446 Si\n0.770803 0.138125 0.400446 Si\n0.623518 0.408414 0.443474 N\n0.123518 0.148112 0.443474 N\n0.623518 0.851888 0.556526 N\n0.123518 0.591586 0.556526 N\n0.720804 0.353974 0.813567 O\n0.220804 0.832458 0.813567 O\n0.220804 0.646026 0.186433 O\n0.720804 0.167542 0.186433 O\n",
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},
{
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},
{
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"structure_string": "Ba8 Si12 Ag4\n1.0\n0.000000 7.510792 9.975634\n4.331655 0.000000 9.975634\n4.331655 7.510792 0.000000\nBa Si Ag\n8 12 4\ndirect\n0.125588 0.125588 0.374412 Ba\n0.875588 0.875588 0.124412 Ba\n0.124412 0.124412 0.875588 Ba\n0.374412 0.374412 0.125588 Ba\n0.624203 0.624203 0.375797 Ba\n0.375797 0.375797 0.624203 Ba\n0.625797 0.625797 0.874203 Ba\n0.874203 0.874203 0.625797 Ba\n0.337732 0.656338 0.821611 Si\n0.184318 0.821611 0.656338 Si\n0.821611 0.184318 0.337732 Si\n0.656338 0.337732 0.184318 Si\n0.912268 0.593662 0.428389 Si\n0.065682 0.428389 0.593662 Si\n0.428389 0.065682 0.912268 Si\n0.909622 0.590378 0.909622 Si\n0.659622 0.340378 0.659622 Si\n0.340378 0.659622 0.340378 Si\n0.590378 0.909622 0.590378 Si\n0.593662 0.912268 0.065682 Si\n0.083033 0.416967 0.083033 Ag\n0.166967 0.833033 0.166967 Ag\n0.416967 0.083033 0.416967 Ag\n0.833033 0.166967 0.833033 Ag\n",
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"formula_full": "Ba8 Si12 Ag4",
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]
}