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{
"id": "mp-806062",
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{
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},
{
"id": "mp-21590",
"created_at": "2022-09-04T14:48:16.117371Z",
"structure_string": "Na12 Fe4 C8 S2 O32\n1.0\n0.000000 7.058822 7.058822\n7.058822 0.000000 7.058822\n7.058822 7.058822 0.000000\nNa Fe C S O\n12 4 8 2 32\ndirect\n0.033653 0.033653 0.466347 Na\n0.466347 0.033653 0.466347 Na\n0.466347 0.033653 0.033653 Na\n0.033653 0.466347 0.466347 Na\n0.033653 0.466347 0.033653 Na\n0.466347 0.466347 0.033653 Na\n0.783653 0.783653 0.216347 Na\n0.783653 0.216347 0.783653 Na\n0.783653 0.216347 0.216347 Na\n0.216347 0.216347 0.783653 Na\n0.216347 0.783653 0.216347 Na\n0.216347 0.783653 0.783653 Na\n0.625000 0.625000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.844447 0.844447 0.466660 C\n0.405553 0.405553 0.783340 C\n0.405553 0.405553 0.405553 C\n0.783340 0.405553 0.405553 C\n0.405553 0.783340 0.405553 C\n0.844447 0.844447 0.844447 C\n0.466660 0.844447 0.844447 C\n0.844447 0.466660 0.844447 C\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n0.785708 0.429306 0.264012 O\n0.429306 0.785708 0.520974 O\n0.264012 0.785708 0.429306 O\n0.520974 0.785708 0.264012 O\n0.820694 0.985988 0.464292 O\n0.464292 0.729026 0.820694 O\n0.985988 0.820694 0.729026 O\n0.729026 0.985988 0.820694 O\n0.429306 0.520974 0.264012 O\n0.785708 0.264012 0.520974 O\n0.264012 0.520974 0.785708 O\n0.816226 0.061258 0.061258 O\n0.520974 0.429306 0.785708 O\n0.785708 0.520974 0.429306 O\n0.429306 0.264012 0.785708 O\n0.520974 0.264012 0.429306 O\n0.188742 0.433774 0.188742 O\n0.433774 0.188742 0.188742 O\n0.729026 0.820694 0.464292 O\n0.188742 0.188742 0.433774 O\n0.061258 0.816226 0.061258 O\n0.188742 0.188742 0.188742 O\n0.061258 0.061258 0.061258 O\n0.061258 0.061258 0.816226 O\n0.729026 0.464292 0.985988 O\n0.985988 0.464292 0.820694 O\n0.820694 0.464292 0.729026 O\n0.464292 0.820694 0.985988 O\n0.820694 0.729026 0.985988 O\n0.464292 0.985988 0.729026 O\n0.985988 0.729026 0.464292 O\n0.264012 0.429306 0.520974 O\n",
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"elements": [
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],
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"density_atomic": 0.08245202118639475,
"volume": 703.4393962142249,
"volume_molar": 7.3038121726404714,
"formula_full": "Na12 Fe4 C8 S2 O32",
"formula_reduced": "Na6Fe2C4SO16",
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"spacegroup": 203
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{
"id": "mp-673174",
"created_at": "2022-09-04T14:48:16.018957Z",
"structure_string": "Fe24 N9\n1.0\n8.111237 4.306781 0.000000\n-8.111237 4.306781 0.000000\n0.000000 0.002516 4.684170\nFe N\n24 9\ndirect\n0.915613 0.832617 0.672355 Fe\n0.666382 0.083728 0.165936 Fe\n0.834669 0.912622 0.161977 Fe\n0.831160 0.420098 0.336619 Fe\n0.419498 0.332913 0.662840 Fe\n0.579902 0.168840 0.663381 Fe\n0.749525 0.998291 0.665660 Fe\n0.748904 0.498509 0.828405 Fe\n0.916272 0.333617 0.834064 Fe\n0.580792 0.667069 0.835430 Fe\n0.169200 0.583067 0.160698 Fe\n0.332931 0.419208 0.164570 Fe\n0.501491 0.251096 0.171595 Fe\n0.500295 0.748607 0.326045 Fe\n0.330520 0.914356 0.329137 Fe\n0.667087 0.580502 0.337160 Fe\n0.085644 0.669480 0.670863 Fe\n0.251393 0.499705 0.673955 Fe\n0.247027 0.001988 0.838531 Fe\n0.087378 0.165331 0.838023 Fe\n0.416933 0.830800 0.839302 Fe\n0.998012 0.752973 0.161469 Fe\n0.001709 0.250475 0.334340 Fe\n0.167383 0.084387 0.327645 Fe\n0.878674 0.121326 0.000000 N\n0.958328 0.542033 0.994372 N\n0.788040 0.211960 0.500000 N\n0.708099 0.790899 0.500832 N\n0.541329 0.458671 0.000000 N\n0.457967 0.041672 0.005628 N\n0.295143 0.704857 0.500000 N\n0.121832 0.878168 0.500000 N\n0.209101 0.291901 0.499168 N\n",
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"formula_full": "Fe24 N9",
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{
"id": "mp-1028200",
"created_at": "2022-09-04T14:48:16.056540Z",
"structure_string": "Ca1 Mg14 Fe1\n1.0\n6.448489 0.025208 0.000000\n-3.202414 5.546743 0.000000\n0.000000 0.000000 10.248840\nCa Mg Fe\n1 14 1\ndirect\n0.160537 0.330268 0.125000 Ca\n0.168854 0.334426 0.625000 Mg\n0.163637 0.831818 0.625000 Mg\n0.655830 0.317844 0.125000 Mg\n0.664601 0.336505 0.625000 Mg\n0.655830 0.837985 0.125000 Mg\n0.664601 0.828095 0.625000 Mg\n0.332415 0.155754 0.374005 Mg\n0.332415 0.155754 0.875995 Mg\n0.332415 0.676662 0.374005 Mg\n0.332415 0.676662 0.875995 Mg\n0.829021 0.164511 0.385366 Mg\n0.829021 0.164511 0.864634 Mg\n0.845847 0.672924 0.357668 Mg\n0.845847 0.672924 0.892332 Mg\n0.186714 0.843357 0.125000 Fe\n",
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{
"id": "mp-758745",
"created_at": "2022-09-04T14:48:16.069745Z",
"structure_string": "Li8 Cr8 Si8 O32\n1.0\n10.783644 0.000000 0.000000\n0.000000 5.565738 0.000000\n0.000000 0.212425 10.109859\nLi Cr Si O\n8 8 8 32\ndirect\n0.158809 0.905376 0.829183 Li\n0.341191 0.905376 0.329183 Li\n0.617221 0.634815 0.593510 Li\n0.882779 0.634815 0.093510 Li\n0.117221 0.365185 0.906490 Li\n0.382779 0.365185 0.406490 Li\n0.658809 0.094624 0.670817 Li\n0.841191 0.094624 0.170817 Li\n0.877354 0.849229 0.515829 Cr\n0.622646 0.849229 0.015829 Cr\n0.408743 0.660124 0.767916 Cr\n0.091257 0.660124 0.267916 Cr\n0.908743 0.339876 0.732084 Cr\n0.591257 0.339876 0.232084 Cr\n0.377354 0.150771 0.984171 Cr\n0.122646 0.150771 0.484171 Cr\n0.897323 0.888401 0.840559 Si\n0.602677 0.888401 0.340559 Si\n0.143259 0.596004 0.582578 Si\n0.356741 0.596004 0.082578 Si\n0.643259 0.403996 0.917422 Si\n0.856741 0.403996 0.417422 Si\n0.397323 0.111599 0.659441 Si\n0.102677 0.111599 0.159441 Si\n0.798978 0.883737 0.963231 O\n0.497193 0.888904 0.642245 O\n0.701022 0.883737 0.463231 O\n0.002807 0.888904 0.142245 O\n0.835603 0.981440 0.693392 O\n0.058606 0.839824 0.566633 O\n0.664397 0.981440 0.193392 O\n0.441394 0.839824 0.066633 O\n0.248317 0.653237 0.686402 O\n0.972063 0.631315 0.830246 O\n0.251683 0.653237 0.186402 O\n0.527937 0.631315 0.330246 O\n0.570799 0.648815 0.863076 O\n0.320169 0.499493 0.931127 O\n0.929201 0.648815 0.363076 O\n0.179831 0.499493 0.431127 O\n0.820169 0.500507 0.568873 O\n0.070799 0.351185 0.636924 O\n0.679831 0.500507 0.068873 O\n0.429201 0.351185 0.136924 O\n0.472063 0.368685 0.669754 O\n0.748317 0.346763 0.813598 O\n0.027937 0.368685 0.169754 O\n0.751683 0.346763 0.313598 O\n0.558606 0.160176 0.933367 O\n0.335603 0.018560 0.806608 O\n0.941394 0.160176 0.433367 O\n0.164397 0.018560 0.306608 O\n0.997193 0.111096 0.857755 O\n0.298978 0.116263 0.536769 O\n0.502807 0.111096 0.357755 O\n0.201022 0.116263 0.036769 O\n",
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"formula_full": "Li8 Cr8 Si8 O32",
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{
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"structure_string": "Mn3 Ni2 P6 W1 O24\n1.0\n7.411342 -4.356673 0.000000\n7.411342 4.356673 0.000000\n4.850321 0.000000 7.098096\nMn Ni P W O\n3 2 6 1 24\ndirect\n0.357185 0.357185 0.357185 Mn\n0.145608 0.145608 0.145608 Mn\n0.643345 0.643345 0.643345 Mn\n0.007656 0.007656 0.007656 Ni\n0.501123 0.501123 0.501123 Ni\n0.449797 0.747436 0.047706 P\n0.747436 0.047706 0.449797 P\n0.047706 0.449797 0.747436 P\n0.950781 0.540175 0.257267 P\n0.257267 0.950781 0.540175 P\n0.540175 0.257267 0.950781 P\n0.857605 0.857605 0.857605 W\n0.681265 0.893592 0.492664 O\n0.893592 0.492664 0.681265 O\n0.492664 0.681265 0.893592 O\n0.258774 0.910646 0.058561 O\n0.616838 0.825639 0.983233 O\n0.454862 0.598894 0.240337 O\n0.910646 0.058561 0.258774 O\n0.598894 0.240337 0.454862 O\n0.988328 0.390126 0.186475 O\n0.240337 0.454862 0.598894 O\n0.925508 0.744518 0.088006 O\n0.186475 0.988328 0.390126 O\n0.825639 0.983233 0.616838 O\n0.058561 0.258774 0.910646 O\n0.752461 0.562536 0.407682 O\n0.983233 0.616838 0.825639 O\n0.407682 0.752461 0.562536 O\n0.088006 0.925508 0.744518 O\n0.562536 0.407682 0.752461 O\n0.390126 0.186475 0.988328 O\n0.744518 0.088006 0.925508 O\n0.520878 0.307511 0.104955 O\n0.104955 0.520878 0.307511 O\n0.307511 0.104955 0.520878 O\n",
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{
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"structure_string": "Th1 Cr2 Ge2\n1.0\n-2.087187 2.087187 5.321315\n2.087187 -2.087187 5.321315\n2.087187 2.087187 -5.321315\nTh Cr Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.623620 0.623620 0.000000 Ge\n0.376380 0.376380 0.000000 Ge\n",
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{
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