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{
"id": "mp-695439",
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"structure_string": "Rb8 Ti8 P8 O40\n1.0\n8.617684 0.000000 0.000000\n0.000000 9.950777 0.000000\n0.000000 0.000000 10.311142\nRb Ti P O\n8 8 8 40\ndirect\n0.450573 0.602476 0.652301 Rb\n0.950573 0.102476 0.847699 Rb\n0.321694 0.892926 0.560249 Rb\n0.178306 0.892926 0.060249 Rb\n0.549427 0.102476 0.347699 Rb\n0.821694 0.392926 0.939751 Rb\n0.678306 0.392926 0.439751 Rb\n0.049427 0.602476 0.152301 Rb\n0.716358 0.746116 0.349493 Ti\n0.685784 0.885592 0.106412 Ti\n0.216358 0.246116 0.150507 Ti\n0.283642 0.246116 0.650507 Ti\n0.814216 0.885592 0.606412 Ti\n0.185784 0.385592 0.393588 Ti\n0.783642 0.746116 0.849493 Ti\n0.314216 0.385592 0.893588 Ti\n0.490686 0.058277 0.980572 P\n0.405169 0.715322 0.270970 P\n0.990686 0.558277 0.519428 P\n0.905169 0.215322 0.229030 P\n0.594831 0.215322 0.729030 P\n0.509314 0.558277 0.019428 P\n0.094831 0.715322 0.770970 P\n0.009314 0.058277 0.480572 P\n0.269080 0.168314 0.833422 O\n0.159099 0.039140 0.365119 O\n0.139274 0.567744 0.411739 O\n0.495319 0.901630 0.984273 O\n0.905304 0.146479 0.377785 O\n0.691140 0.881628 0.753303 O\n0.513923 0.844694 0.246919 O\n0.159082 0.356374 0.012327 O\n0.769080 0.668314 0.666578 O\n0.522692 0.633594 0.362969 O\n0.659099 0.539140 0.134881 O\n0.126229 0.136496 0.576719 O\n0.639274 0.067744 0.088261 O\n0.995319 0.401630 0.515727 O\n0.873771 0.636496 0.423281 O\n0.405304 0.646479 0.122215 O\n0.477308 0.133595 0.637031 O\n0.191140 0.381628 0.746697 O\n0.840918 0.856374 0.987673 O\n0.486077 0.344694 0.753081 O\n0.013923 0.344694 0.253081 O\n0.659082 0.856374 0.487673 O\n0.308860 0.381628 0.246697 O\n0.022692 0.133595 0.137031 O\n0.094696 0.646479 0.622215 O\n0.626229 0.636496 0.923281 O\n0.504681 0.401630 0.015727 O\n0.860726 0.067744 0.588261 O\n0.373771 0.136496 0.076719 O\n0.840901 0.539140 0.634881 O\n0.977308 0.633594 0.862969 O\n0.730920 0.668314 0.166578 O\n0.340918 0.356374 0.512327 O\n0.986077 0.844694 0.746919 O\n0.808860 0.881628 0.253303 O\n0.594696 0.146479 0.877785 O\n0.004681 0.901630 0.484273 O\n0.360726 0.567744 0.911739 O\n0.340901 0.039140 0.865119 O\n0.230920 0.168314 0.333422 O\n",
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"formula_full": "Rb8 Ti8 P8 O40",
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"updated_at": "2021-11-28T01:36:24.579000Z",
"spacegroup": 33
},
{
"id": "mp-685189",
"created_at": "2022-09-04T14:48:19.712632Z",
"structure_string": "Cu29 Se19\n1.0\n3.497074 0.001023 2.018540\n1.166656 3.296732 2.018540\n0.001772 0.001253 76.701658\nCu Se\n29 19\ndirect\n0.243569 0.243569 0.066811 Cu\n0.757069 0.757069 0.038358 Cu\n0.741871 0.741871 0.093385 Cu\n0.739202 0.739202 0.146441 Cu\n0.749817 0.749817 0.197412 Cu\n0.749368 0.749368 0.250101 Cu\n0.749476 0.749476 0.302705 Cu\n0.749439 0.749439 0.355355 Cu\n0.749432 0.749432 0.407990 Cu\n0.244154 0.244154 0.487767 Cu\n0.767387 0.767387 0.457773 Cu\n0.256123 0.256123 0.591134 Cu\n0.740767 0.740767 0.514627 Cu\n0.253401 0.253401 0.644179 Cu\n0.756187 0.756187 0.564817 Cu\n0.252141 0.252141 0.697019 Cu\n0.760965 0.760965 0.616687 Cu\n0.251627 0.251627 0.749747 Cu\n0.750011 0.750011 0.671054 Cu\n0.749381 0.749381 0.723794 Cu\n0.251270 0.251270 0.802415 Cu\n0.748923 0.748923 0.776475 Cu\n0.250655 0.250655 0.855152 Cu\n0.748574 0.748574 0.829181 Cu\n0.248471 0.248471 0.908149 Cu\n0.748009 0.748009 0.881902 Cu\n0.241350 0.241350 0.961889 Cu\n0.747098 0.747098 0.934656 Cu\n0.728680 0.728680 0.990211 Cu\n0.998663 0.998663 0.000219 Se\n0.009163 0.009163 0.051230 Se\n0.993564 0.993564 0.106242 Se\n0.999990 0.999990 0.157889 Se\n0.999384 0.999384 0.210663 Se\n0.000354 0.000354 0.263079 Se\n0.000936 0.000936 0.315622 Se\n0.005487 0.005487 0.420182 Se\n0.001390 0.001390 0.368229 Se\n0.997584 0.997584 0.526715 Se\n0.009418 0.009418 0.472181 Se\n0.010669 0.010669 0.577273 Se\n0.997062 0.997062 0.631999 Se\n0.997810 0.997810 0.684563 Se\n0.999702 0.999702 0.789484 Se\n0.998919 0.998919 0.737037 Se\n0.001425 0.001425 0.841901 Se\n0.002886 0.002886 0.894320 Se\n0.001178 0.001178 0.947145 Se\n",
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"elements": [
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"density": 6.278494468051536,
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"volume": 884.1777288779734,
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"formula_full": "Cu29 Se19",
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"formula_anonymous": "A19B29",
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"spacegroup": 160
},
{
"id": "mp-25912",
"created_at": "2022-09-04T14:43:15.388358Z",
"structure_string": "V6 P12 O40\n1.0\n5.074129 -6.886284 0.000000\n5.074129 6.886284 0.000000\n0.000000 0.000000 12.652015\nV P O\n6 12 40\ndirect\n0.822553 0.278916 0.287605 V\n0.778916 0.322553 0.787605 V\n0.361684 0.361684 0.000000 V\n0.861684 0.861684 0.500000 V\n0.322553 0.778916 0.212395 V\n0.278916 0.822553 0.712395 V\n0.876940 0.247864 0.550724 P\n0.403199 0.142171 0.305193 P\n0.368005 0.222770 0.781686 P\n0.747864 0.376940 0.050724 P\n0.222770 0.368005 0.218314 P\n0.142171 0.403199 0.694807 P\n0.903199 0.642171 0.194807 P\n0.868005 0.722770 0.718314 P\n0.376940 0.747864 0.949276 P\n0.722770 0.868005 0.281686 P\n0.642171 0.903199 0.805193 P\n0.247864 0.876940 0.449276 P\n0.823062 0.045173 0.294864 O\n0.866766 0.064317 0.556670 O\n0.716980 0.085751 0.808791 O\n0.332644 0.017094 0.220510 O\n0.346158 0.066631 0.420054 O\n0.339891 0.056222 0.732144 O\n0.788692 0.265816 0.133494 O\n0.585751 0.216980 0.308791 O\n0.851241 0.304870 0.441417 O\n0.765816 0.288692 0.633494 O\n0.804870 0.351241 0.941417 O\n0.276984 0.213044 0.889095 O\n0.545173 0.323062 0.794864 O\n0.323101 0.287521 0.299766 O\n0.564317 0.366766 0.056670 O\n0.213044 0.276984 0.110905 O\n0.287520 0.323101 0.700234 O\n0.832644 0.517094 0.279490 O\n0.846158 0.566631 0.079946 O\n0.839891 0.556222 0.767856 O\n0.056222 0.339891 0.267856 O\n0.017094 0.332644 0.779490 O\n0.066631 0.346158 0.579946 O\n0.323062 0.545173 0.205136 O\n0.366766 0.564317 0.943330 O\n0.776984 0.713044 0.610905 O\n0.216980 0.585751 0.691209 O\n0.823101 0.787520 0.200234 O\n0.713044 0.776984 0.389095 O\n0.787520 0.823101 0.799766 O\n0.288692 0.765816 0.366506 O\n0.556222 0.839891 0.232144 O\n0.517094 0.832644 0.720510 O\n0.085751 0.716980 0.191209 O\n0.566631 0.846158 0.920054 O\n0.351241 0.804870 0.058583 O\n0.265816 0.788692 0.866506 O\n0.304870 0.851241 0.558583 O\n0.045173 0.823062 0.705136 O\n0.064317 0.866766 0.443330 O\n",
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},
{
"id": "mp-706477",
"created_at": "2022-09-04T14:41:14.099656Z",
"structure_string": "La8 Si8 O28\n1.0\n8.593565 0.000000 0.000000\n0.000000 6.534734 0.000000\n0.000000 0.240523 15.743643\nLa Si O\n8 8 28\ndirect\n0.599238 0.821310 0.584429 La\n0.099238 0.178690 0.915571 La\n0.722936 0.425810 0.275528 La\n0.222936 0.574190 0.224472 La\n0.277064 0.574190 0.724472 La\n0.777064 0.425810 0.775528 La\n0.900762 0.821310 0.084429 La\n0.400762 0.178690 0.415571 La\n0.950194 0.341626 0.121700 Si\n0.511999 0.900211 0.198865 Si\n0.549806 0.341626 0.621700 Si\n0.450194 0.658374 0.378300 Si\n0.988001 0.900211 0.698865 Si\n0.049806 0.658374 0.878300 Si\n0.011999 0.099789 0.301135 Si\n0.488001 0.099789 0.801135 Si\n0.424086 0.534749 0.598787 O\n0.456907 0.263002 0.719053 O\n0.013902 0.877478 0.237840 O\n0.513902 0.122522 0.262160 O\n0.658417 0.892873 0.136219 O\n0.924086 0.465251 0.901213 O\n0.552667 0.678729 0.767580 O\n0.341583 0.107127 0.863781 O\n0.342068 0.850335 0.161866 O\n0.447333 0.321271 0.232420 O\n0.052667 0.321271 0.732420 O\n0.841583 0.892873 0.636219 O\n0.502421 0.151543 0.557714 O\n0.002421 0.848457 0.942286 O\n0.997579 0.151543 0.057714 O\n0.075914 0.534749 0.098787 O\n0.947333 0.678729 0.267580 O\n0.043093 0.263002 0.219053 O\n0.486098 0.877478 0.737840 O\n0.497579 0.848457 0.442286 O\n0.575914 0.465251 0.401213 O\n0.158417 0.107127 0.363781 O\n0.657932 0.149665 0.838134 O\n0.842068 0.149665 0.338134 O\n0.986098 0.122522 0.762160 O\n0.543093 0.736998 0.280947 O\n0.157932 0.850335 0.661866 O\n0.956907 0.736998 0.780947 O\n",
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{
"id": "mp-29747",
"created_at": "2022-09-04T14:41:08.068490Z",
"structure_string": "Ta8 Mn22 O42\n1.0\n2.725351 -4.720447 0.000000\n2.725351 4.720447 0.000000\n0.000000 0.000000 34.361202\nTa Mn O\n8 22 42\ndirect\n0.333333 0.666667 0.070835 Ta\n0.666667 0.333333 0.429165 Ta\n0.666667 0.333333 0.929165 Ta\n0.333333 0.666667 0.570835 Ta\n0.000000 0.000000 0.205297 Ta\n0.000000 0.000000 0.294703 Ta\n0.000000 0.000000 0.794703 Ta\n0.000000 0.000000 0.705297 Ta\n0.000000 0.000000 0.087747 Mn\n0.000000 0.000000 0.412253 Mn\n0.000000 0.000000 0.912253 Mn\n0.000000 0.000000 0.587747 Mn\n0.333333 0.666667 0.980150 Mn\n0.666667 0.333333 0.519850 Mn\n0.666667 0.333333 0.019850 Mn\n0.333333 0.666667 0.480150 Mn\n0.333333 0.666667 0.156906 Mn\n0.666667 0.333333 0.343094 Mn\n0.666667 0.333333 0.843094 Mn\n0.333333 0.666667 0.656906 Mn\n0.666667 0.333333 0.134954 Mn\n0.333333 0.666667 0.365046 Mn\n0.333333 0.666667 0.865046 Mn\n0.666667 0.333333 0.634954 Mn\n0.666667 0.333333 0.226285 Mn\n0.333333 0.666667 0.273715 Mn\n0.333333 0.666667 0.773715 Mn\n0.666667 0.333333 0.726285 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.647980 0.696312 0.036482 O\n0.303688 0.951668 0.036482 O\n0.048332 0.352020 0.036482 O\n0.951668 0.303688 0.463518 O\n0.352020 0.048332 0.463518 O\n0.696312 0.647980 0.463518 O\n0.352020 0.303688 0.963518 O\n0.696312 0.048332 0.963518 O\n0.951668 0.647980 0.963518 O\n0.048332 0.696312 0.536482 O\n0.647980 0.951668 0.536482 O\n0.303688 0.352020 0.536482 O\n0.346246 0.382511 0.106532 O\n0.617489 0.963735 0.106532 O\n0.036265 0.653754 0.106532 O\n0.963735 0.617489 0.393468 O\n0.653754 0.036265 0.393468 O\n0.382511 0.346246 0.393468 O\n0.653754 0.617489 0.893468 O\n0.382511 0.036265 0.893468 O\n0.963735 0.346246 0.893468 O\n0.036265 0.382511 0.606532 O\n0.346246 0.963735 0.606532 O\n0.617489 0.653754 0.606532 O\n0.699951 0.668010 0.180950 O\n0.331990 0.031941 0.180950 O\n0.968059 0.300049 0.180950 O\n0.031941 0.331990 0.319050 O\n0.300049 0.968059 0.319050 O\n0.668010 0.699951 0.319050 O\n0.300049 0.331990 0.819050 O\n0.668010 0.968059 0.819050 O\n0.031941 0.699951 0.819050 O\n0.968059 0.668010 0.680950 O\n0.699951 0.031941 0.680950 O\n0.331990 0.300049 0.680950 O\n0.275884 0.275884 0.250000 O\n0.724116 0.000000 0.250000 O\n0.000000 0.724116 0.250000 O\n0.724116 0.724116 0.750000 O\n0.275884 0.000000 0.750000 O\n0.000000 0.275884 0.750000 O\n",
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},
{
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"formula_full": "Au4 S4 Cl20",
"formula_reduced": "AuSCl5",
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"updated_at": "2021-11-28T01:35:51.379000Z",
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},
{
"id": "mp-1209148",
"created_at": "2022-09-04T14:45:56.095458Z",
"structure_string": "Sm6 Ge18 Rh30\n1.0\n8.018454 -13.888369 0.000000\n8.018454 13.888369 0.000000\n0.000000 0.000000 3.968746\nSm Ge Rh\n6 18 30\ndirect\n0.294207 0.394878 0.750000 Sm\n0.705793 0.605122 0.250000 Sm\n0.605122 0.899328 0.750000 Sm\n0.394878 0.100672 0.250000 Sm\n0.100672 0.705793 0.750000 Sm\n0.899328 0.294207 0.250000 Sm\n0.555897 0.237966 0.750000 Ge\n0.444103 0.762034 0.250000 Ge\n0.762034 0.317931 0.750000 Ge\n0.237966 0.682069 0.250000 Ge\n0.682069 0.444103 0.750000 Ge\n0.317931 0.555897 0.250000 Ge\n0.249505 0.118188 0.750000 Ge\n0.750495 0.881812 0.250000 Ge\n0.881812 0.131317 0.750000 Ge\n0.118188 0.868683 0.250000 Ge\n0.868683 0.750495 0.750000 Ge\n0.131317 0.249505 0.250000 Ge\n0.059380 0.429913 0.750000 Ge\n0.940620 0.570087 0.250000 Ge\n0.570087 0.629466 0.750000 Ge\n0.429913 0.370534 0.250000 Ge\n0.370534 0.940620 0.750000 Ge\n0.629466 0.059380 0.250000 Ge\n0.412709 0.262063 0.750000 Rh\n0.587291 0.737937 0.250000 Rh\n0.737937 0.150646 0.750000 Rh\n0.262063 0.849354 0.250000 Rh\n0.849354 0.587291 0.750000 Rh\n0.150646 0.412709 0.250000 Rh\n0.538356 0.075302 0.750000 Rh\n0.461644 0.924698 0.250000 Rh\n0.924698 0.463054 0.750000 Rh\n0.075302 0.536946 0.250000 Rh\n0.536946 0.461644 0.750000 Rh\n0.463054 0.538356 0.250000 Rh\n0.105228 0.132229 0.750000 Rh\n0.894772 0.867771 0.250000 Rh\n0.867771 0.972999 0.750000 Rh\n0.132229 0.027001 0.250000 Rh\n0.027001 0.894772 0.750000 Rh\n0.972999 0.105228 0.250000 Rh\n0.223330 0.570078 0.750000 Rh\n0.776670 0.429922 0.250000 Rh\n0.429922 0.653251 0.750000 Rh\n0.570078 0.346749 0.250000 Rh\n0.346749 0.776670 0.750000 Rh\n0.653251 0.223330 0.250000 Rh\n0.045420 0.267932 0.750000 Rh\n0.954580 0.732068 0.250000 Rh\n0.732068 0.777488 0.750000 Rh\n0.267932 0.222512 0.250000 Rh\n0.222512 0.954580 0.750000 Rh\n0.777488 0.045420 0.250000 Rh\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ge-Rh-Sm",
"density": 9.950414504153201,
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"volume": 883.944889788629,
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"formula_full": "Sm6 Ge18 Rh30",
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"updated_at": "2021-11-28T01:37:09.603000Z",
"spacegroup": 176
}
]
}