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{
"id": "mp-559910",
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{
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"structure_string": "Zr2 Al1 Fe3\n1.0\n4.370751 -2.505985 0.000000\n4.370751 2.505985 0.000000\n2.933936 0.000000 4.095783\nZr Al Fe\n2 1 3\ndirect\n0.121492 0.121492 0.121492 Zr\n0.878508 0.878508 0.878508 Zr\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
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{
"id": "mp-1225953",
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"structure_string": "Cu8 Sn4 Se12\n1.0\n2.889290 -2.889290 5.737434\n-2.889290 2.889290 5.737434\n-11.501966 -5.723385 0.000000\nCu Sn Se\n8 4 12\ndirect\n0.264347 0.243450 0.499578 Cu\n0.907944 0.574610 0.833333 Cu\n0.576783 0.931014 0.167089 Cu\n0.348102 0.659695 0.667089 Cu\n0.993028 0.014769 0.999578 Cu\n0.657944 0.324610 0.333333 Cu\n0.417362 0.084028 0.833333 Cu\n0.167362 0.834028 0.333333 Cu\n0.098808 0.400226 0.173528 Sn\n0.733559 0.765475 0.493139 Sn\n0.823753 0.175281 0.673528 Sn\n0.508614 0.490420 0.993139 Sn\n0.105130 0.648584 0.989262 Se\n0.798411 0.969400 0.322559 Se\n0.430675 0.298997 0.666548 Se\n0.632331 0.097341 0.000118 Se\n0.302733 0.465078 0.344108 Se\n0.981917 0.771797 0.677405 Se\n0.059185 0.208626 0.844108 Se\n0.699202 0.554512 0.177405 Se\n0.347460 0.882212 0.500118 Se\n0.887845 0.365869 0.489262 Se\n0.541959 0.725852 0.822559 Se\n0.215546 0.014126 0.166548 Se\n",
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},
{
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"created_at": "2022-09-04T14:40:24.152435Z",
"structure_string": "K3 Y1\n1.0\n-2.955570 2.955570 6.461720\n2.955570 -2.955570 6.461720\n2.955570 2.955570 -6.461720\nK Y\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Y\n",
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"spacegroup": 139
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{
"id": "mp-976600",
"created_at": "2022-09-04T14:40:24.150899Z",
"structure_string": "Li1 Hf2 Tc1\n1.0\n0.000000 3.278953 3.278953\n3.278953 0.000000 3.278953\n3.278953 3.278953 0.000000\nLi Hf Tc\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Tc\n",
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"updated_at": "2021-11-28T01:34:56.421000Z",
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},
{
"id": "mp-1045467",
"created_at": "2022-09-04T14:40:24.147589Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n-3.624034 3.863289 5.280548\n3.624034 -3.863289 5.280548\n3.624034 3.863289 -5.280548\nCa Mn S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.302332 0.258305 0.044027 S\n0.728231 0.244905 0.016674 S\n0.714278 0.258305 0.455973 S\n0.271769 0.288444 0.516674 S\n0.285722 0.741695 0.544027 S\n0.271769 0.755095 0.983326 S\n0.728231 0.711556 0.483326 S\n0.697668 0.741695 0.955973 S\n",
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"volume": 295.72527684087277,
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"formula_full": "Ca2 Mn4 S8",
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{
"id": "mp-1204004",
"created_at": "2022-09-04T14:40:24.141898Z",
"structure_string": "Zn4 P4 O22 F4\n1.0\n7.578799 0.000000 0.000000\n0.280685 8.369711 0.000000\n1.404303 0.766649 9.544296\nZn P O F\n4 4 22 4\ndirect\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.499621 0.506149 0.746210 Zn\n0.500379 0.493851 0.253790 Zn\n0.647015 0.298684 0.996230 P\n0.352985 0.701316 0.003770 P\n0.281633 0.346999 0.537462 P\n0.718367 0.653001 0.462538 P\n0.521035 0.327792 0.888202 O\n0.478965 0.672208 0.111798 O\n0.815255 0.401614 0.950041 O\n0.184745 0.598386 0.049959 O\n0.567077 0.303257 0.148633 O\n0.432923 0.696743 0.851367 O\n0.398541 0.193817 0.557457 O\n0.601459 0.806183 0.442543 O\n0.297973 0.422116 0.388318 O\n0.702027 0.577884 0.611682 O\n0.298952 0.459807 0.649661 O\n0.701048 0.540193 0.350339 O\n0.942066 0.028098 0.709107 O\n0.057934 0.971902 0.290893 O\n0.794637 0.072181 0.670919 O\n0.205363 0.927819 0.329081 O\n0.909083 0.749936 0.863311 O\n0.090917 0.250064 0.136689 O\n0.773961 0.042325 0.541637 O\n0.226039 0.957675 0.458363 O\n0.163965 0.180170 0.035138 O\n0.836035 0.819830 0.964862 O\n0.718498 0.120082 0.984924 F\n0.281502 0.879918 0.015076 F\n0.081664 0.290237 0.568988 F\n0.918336 0.709763 0.431012 F\n",
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{
"id": "mp-1196213",
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"structure_string": "Li8 Nb8 O24\n1.0\n-0.034877 0.000000 -6.307872\n0.000000 -8.347658 0.000000\n-9.574466 0.000000 -0.014838\nLi Nb O\n8 8 24\ndirect\n0.518878 0.182822 0.522783 Li\n0.481122 0.682822 0.977217 Li\n0.481122 0.817178 0.477217 Li\n0.518878 0.317178 0.022783 Li\n0.779510 0.377778 0.769966 Li\n0.220490 0.877778 0.730034 Li\n0.220490 0.622222 0.230034 Li\n0.779510 0.122222 0.269966 Li\n0.992204 0.695763 0.502557 Nb\n0.007796 0.195763 0.997443 Nb\n0.007796 0.304237 0.497443 Nb\n0.992204 0.804237 0.002557 Nb\n0.734245 0.496462 0.258718 Nb\n0.265755 0.996462 0.241282 Nb\n0.265755 0.503538 0.741282 Nb\n0.734245 0.003538 0.758718 Nb\n0.915492 0.637297 0.125278 O\n0.084508 0.137297 0.374722 O\n0.084508 0.362703 0.874722 O\n0.915492 0.862703 0.625278 O\n0.828713 0.310773 0.132881 O\n0.171287 0.810773 0.367119 O\n0.171287 0.689227 0.867119 O\n0.828713 0.189227 0.632881 O\n0.704402 0.332070 0.400386 O\n0.295598 0.832070 0.099614 O\n0.295598 0.667930 0.599614 O\n0.704402 0.167930 0.900386 O\n0.722580 0.677726 0.400651 O\n0.277420 0.177726 0.099349 O\n0.277420 0.322274 0.599349 O\n0.722580 0.822274 0.900651 O\n0.061761 0.489658 0.368542 O\n0.938239 0.989658 0.131458 O\n0.938239 0.510342 0.631458 O\n0.061761 0.010342 0.868542 O\n0.486495 0.525029 0.163308 O\n0.513505 0.025029 0.336692 O\n0.513505 0.474971 0.836692 O\n0.486495 0.974971 0.663308 O\n",
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{
"id": "mp-1201196",
"created_at": "2022-09-04T14:40:24.139255Z",
"structure_string": "Yb20 Sn16\n1.0\n7.973945 0.000000 0.000000\n0.000000 8.420376 0.000000\n0.000000 0.000000 16.427554\nYb Sn\n20 16\ndirect\n0.646230 0.178878 0.624033 Yb\n0.146230 0.321122 0.875967 Yb\n0.353770 0.821122 0.124033 Yb\n0.853770 0.678878 0.375967 Yb\n0.353770 0.821122 0.375967 Yb\n0.853770 0.678878 0.124033 Yb\n0.646230 0.178878 0.875967 Yb\n0.146230 0.321122 0.624033 Yb\n0.482782 0.682245 0.598682 Yb\n0.982782 0.817755 0.901318 Yb\n0.517218 0.317755 0.098682 Yb\n0.017218 0.182245 0.401318 Yb\n0.517218 0.317755 0.401318 Yb\n0.017218 0.182245 0.098682 Yb\n0.482782 0.682245 0.901318 Yb\n0.982782 0.817755 0.598682 Yb\n0.816654 0.498979 0.750000 Yb\n0.316654 0.001021 0.750000 Yb\n0.183346 0.501021 0.250000 Yb\n0.683346 0.998979 0.250000 Yb\n0.678308 0.973627 0.464202 Sn\n0.178308 0.526373 0.035798 Sn\n0.321692 0.026373 0.964202 Sn\n0.821692 0.473627 0.535798 Sn\n0.321692 0.026373 0.535798 Sn\n0.821692 0.473627 0.964202 Sn\n0.678308 0.973627 0.035798 Sn\n0.178308 0.526373 0.464202 Sn\n0.441054 0.391003 0.750000 Sn\n0.941054 0.108997 0.750000 Sn\n0.558946 0.608997 0.250000 Sn\n0.058946 0.891003 0.250000 Sn\n0.690774 0.861489 0.750000 Sn\n0.190774 0.638511 0.750000 Sn\n0.309226 0.138511 0.250000 Sn\n0.809226 0.361489 0.250000 Sn\n",
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{
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"structure_string": "Yb8 Sn20 Pt12\n1.0\n4.493340 0.000000 0.000000\n0.000000 7.437514 0.000000\n0.000000 0.000000 26.743161\nYb Sn Pt\n8 20 12\ndirect\n0.750000 0.251394 0.922942 Yb\n0.750000 0.282989 0.227052 Yb\n0.250000 0.217011 0.727052 Yb\n0.750000 0.782989 0.272948 Yb\n0.750000 0.751394 0.577058 Yb\n0.250000 0.748606 0.077058 Yb\n0.250000 0.717011 0.772948 Yb\n0.250000 0.248606 0.422942 Yb\n0.750000 0.215381 0.631120 Sn\n0.750000 0.879677 0.701741 Sn\n0.750000 0.461652 0.043431 Sn\n0.250000 0.593885 0.653136 Sn\n0.750000 0.906115 0.153136 Sn\n0.250000 0.038348 0.543431 Sn\n0.250000 0.784619 0.368880 Sn\n0.250000 0.464712 0.543480 Sn\n0.250000 0.538348 0.956569 Sn\n0.250000 0.284619 0.131120 Sn\n0.250000 0.964712 0.956520 Sn\n0.250000 0.620323 0.201741 Sn\n0.750000 0.379677 0.798259 Sn\n0.250000 0.120323 0.298259 Sn\n0.750000 0.035288 0.043480 Sn\n0.750000 0.715381 0.868880 Sn\n0.750000 0.535288 0.456520 Sn\n0.750000 0.961652 0.456569 Sn\n0.750000 0.406115 0.346864 Sn\n0.250000 0.093885 0.846864 Sn\n0.250000 0.000729 0.201251 Pt\n0.250000 0.964589 0.643413 Pt\n0.750000 0.499271 0.701251 Pt\n0.750000 0.035411 0.356587 Pt\n0.750000 0.257303 0.527781 Pt\n0.750000 0.757303 0.972219 Pt\n0.750000 0.999271 0.798749 Pt\n0.250000 0.242697 0.027781 Pt\n0.750000 0.535411 0.143413 Pt\n0.250000 0.464589 0.856587 Pt\n0.250000 0.742697 0.472219 Pt\n0.250000 0.500729 0.298749 Pt\n",
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},
{
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"created_at": "2022-09-04T14:40:24.133629Z",
"structure_string": "Fe2 Re6 O30\n1.0\n8.087738 0.000000 0.000000\n3.566382 7.491494 0.000000\n1.164297 0.566264 11.662354\nFe Re O\n2 6 30\ndirect\n0.294652 0.398497 0.747948 Fe\n0.705348 0.601503 0.252052 Fe\n0.781908 0.673025 0.762284 Re\n0.218092 0.326975 0.237716 Re\n0.226253 0.764361 0.924927 Re\n0.773747 0.235639 0.075073 Re\n0.155314 0.124391 0.596187 Re\n0.844686 0.875609 0.403813 Re\n0.025962 0.541783 0.747401 O\n0.974038 0.458217 0.252599 O\n0.326291 0.567464 0.840967 O\n0.673709 0.432536 0.159033 O\n0.293546 0.225564 0.645932 O\n0.706454 0.774436 0.354068 O\n0.286559 0.259232 0.874701 O\n0.713441 0.740768 0.125299 O\n0.563297 0.292922 0.711388 O\n0.436703 0.707078 0.288612 O\n0.362850 0.511781 0.615605 O\n0.637150 0.488219 0.384395 O\n0.721161 0.898580 0.727873 O\n0.278839 0.101420 0.272127 O\n0.673898 0.600492 0.671208 O\n0.326102 0.399508 0.328792 O\n0.696110 0.650892 0.902994 O\n0.303890 0.349108 0.097006 O\n0.300567 0.713740 0.062855 O\n0.699433 0.286260 0.937145 O\n0.288140 0.929938 0.858863 O\n0.711860 0.070062 0.141137 O\n0.989661 0.842826 0.933717 O\n0.010339 0.157174 0.066283 O\n0.008536 0.096989 0.707219 O\n0.991464 0.903011 0.292781 O\n0.020377 0.259945 0.488258 O\n0.979623 0.740055 0.511742 O\n0.295619 0.918131 0.542506 O\n0.704381 0.081869 0.457494 O\n",
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"formula_full": "Fe2 Re6 O30",
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"updated_at": "2021-11-28T01:34:53.689000Z",
"spacegroup": 2
},
{
"id": "mp-1186394",
"created_at": "2022-09-04T14:40:24.133036Z",
"structure_string": "Pa1 Bi1 Au2\n1.0\n0.000000 3.611140 3.611140\n3.611140 0.000000 3.611140\n3.611140 3.611140 0.000000\nPa Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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],
"chemical_system": "Au-Bi-Pa",
"density": 14.703672944499258,
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"volume": 94.18092971629908,
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"formula_full": "Pa1 Bi1 Au2",
"formula_reduced": "PaBiAu2",
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"updated_at": "2021-11-28T01:34:53.676000Z",
"spacegroup": 225
}
]
}