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{
"id": "mp-1019708",
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"structure_string": "Cs4 Ba4 Li4 P8 O28\n1.0\n10.984387 0.000000 0.000000\n0.000000 7.180708 0.000000\n0.000000 2.919229 10.482472\nCs Ba Li P O\n4 4 4 8 28\ndirect\n0.327701 0.248782 0.495786 Cs\n0.827701 0.751218 0.004214 Cs\n0.672299 0.751218 0.504214 Cs\n0.172299 0.248782 0.995786 Cs\n0.942555 0.194020 0.622559 Ba\n0.442555 0.805980 0.877441 Ba\n0.057445 0.805980 0.377441 Ba\n0.557445 0.194020 0.122559 Ba\n0.758956 0.334394 0.859338 Li\n0.258956 0.665606 0.640662 Li\n0.241044 0.665606 0.140662 Li\n0.741044 0.334394 0.359338 Li\n0.984998 0.622687 0.697008 P\n0.484998 0.377313 0.802992 P\n0.015002 0.377313 0.302992 P\n0.515002 0.622687 0.197008 P\n0.635831 0.161195 0.663678 P\n0.135831 0.838805 0.836322 P\n0.364169 0.838805 0.336322 P\n0.864169 0.161195 0.163678 P\n0.545783 0.343779 0.672815 O\n0.045783 0.656221 0.827185 O\n0.454217 0.656221 0.327185 O\n0.954217 0.343779 0.172815 O\n0.085996 0.535214 0.630309 O\n0.585996 0.464786 0.869691 O\n0.914004 0.464786 0.369691 O\n0.414004 0.535214 0.130309 O\n0.941967 0.818158 0.611345 O\n0.441967 0.181842 0.888655 O\n0.058033 0.181842 0.388655 O\n0.558033 0.818158 0.111345 O\n0.721323 0.120156 0.779697 O\n0.221323 0.879844 0.720303 O\n0.278677 0.879844 0.220303 O\n0.778677 0.120156 0.279697 O\n0.881434 0.479819 0.744429 O\n0.381434 0.520181 0.755571 O\n0.118566 0.520181 0.255571 O\n0.618566 0.479819 0.244429 O\n0.705985 0.242089 0.539132 O\n0.205985 0.757911 0.960868 O\n0.294015 0.757911 0.460868 O\n0.794015 0.242089 0.039132 O\n0.550579 0.994962 0.661241 O\n0.050579 0.005038 0.838759 O\n0.449421 0.005038 0.338759 O\n0.949421 0.994962 0.161241 O\n",
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{
"id": "mp-1228496",
"created_at": "2022-09-04T14:46:16.100141Z",
"structure_string": "Ba4 Ti11 O26\n1.0\n7.858054 0.000000 0.000000\n1.955921 7.674836 0.000000\n3.925051 1.479210 9.127869\nBa Ti O\n4 11 26\ndirect\n0.861118 0.093010 0.230907 Ba\n0.365385 0.095787 0.222214 Ba\n0.142538 0.878020 0.763307 Ba\n0.652910 0.886024 0.764858 Ba\n0.374430 0.345197 0.565198 Ti\n0.888018 0.346126 0.567310 Ti\n0.613636 0.663272 0.441159 Ti\n0.108593 0.665903 0.449475 Ti\n0.226592 0.250923 0.893743 Ti\n0.752985 0.243860 0.899649 Ti\n0.766603 0.760157 0.084915 Ti\n0.262434 0.767106 0.093384 Ti\n0.488040 0.507087 0.776740 Ti\n0.017400 0.476233 0.229704 Ti\n0.514132 0.477715 0.229790 Ti\n0.263072 0.465354 0.758492 O\n0.745438 0.465614 0.757652 O\n0.747843 0.527171 0.241540 O\n0.254503 0.511155 0.234263 O\n0.613915 0.399853 0.571650 O\n0.122424 0.402143 0.553795 O\n0.384592 0.599963 0.431364 O\n0.884190 0.600398 0.430711 O\n0.506453 0.734098 0.621101 O\n0.006815 0.792650 0.587620 O\n0.497511 0.267428 0.382403 O\n0.985983 0.268783 0.382037 O\n0.379031 0.660291 0.913449 O\n0.867752 0.692468 0.916886 O\n0.627702 0.343573 0.086031 O\n0.115748 0.338691 0.086575 O\n0.483156 0.271431 0.895693 O\n0.988744 0.226915 0.909793 O\n0.506934 0.724140 0.119147 O\n0.012234 0.728316 0.116480 O\n0.628039 0.862535 0.310999 O\n0.145189 0.849061 0.286345 O\n0.355083 0.144876 0.704744 O\n0.866477 0.145816 0.706429 O\n0.728013 0.008410 0.010650 O\n0.263296 0.996249 0.999996 O\n",
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"formula_full": "Ba4 Ti11 O26",
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{
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"structure_string": "Tb4 Si6\n1.0\n2.118843 -12.035084 0.000000\n2.118843 12.035084 0.000000\n0.000000 0.000000 4.284060\nTb Si\n4 6\ndirect\n0.253625 0.746375 0.250000 Tb\n0.746375 0.253625 0.750000 Tb\n0.617881 0.382119 0.250000 Tb\n0.382119 0.617881 0.750000 Tb\n0.478504 0.521496 0.250000 Si\n0.521496 0.478504 0.750000 Si\n0.835873 0.164127 0.250000 Si\n0.164127 0.835873 0.750000 Si\n0.068323 0.931677 0.750000 Si\n0.931677 0.068323 0.250000 Si\n",
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"formula_full": "Tb4 Si6",
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{
"id": "mp-1048359",
"created_at": "2022-09-04T14:46:16.113916Z",
"structure_string": "Ba2 Al2 Fe8 O14\n1.0\n3.015793 -5.223507 0.000000\n3.015793 5.223507 0.000000\n0.000000 0.000000 10.348201\nBa Al Fe O\n2 2 8 14\ndirect\n0.666667 0.333333 0.496942 Ba\n0.333333 0.666667 0.996942 Ba\n0.666667 0.333333 0.879002 Al\n0.333333 0.666667 0.379002 Al\n0.809757 0.190243 0.185897 Fe\n0.619513 0.809757 0.685897 Fe\n0.190243 0.380487 0.685897 Fe\n0.809757 0.619513 0.185897 Fe\n0.380487 0.190243 0.185897 Fe\n0.190243 0.809757 0.685897 Fe\n0.000000 0.000000 0.426840 Fe\n0.000000 0.000000 0.926840 Fe\n0.826459 0.173541 0.993884 O\n0.652918 0.826459 0.493884 O\n0.173541 0.347082 0.493884 O\n0.826459 0.652918 0.993884 O\n0.347082 0.173541 0.993884 O\n0.173541 0.826459 0.493884 O\n0.000000 0.000000 0.743209 O\n0.000000 0.000000 0.243209 O\n0.488483 0.511517 0.282887 O\n0.976965 0.488483 0.782887 O\n0.511517 0.023035 0.782887 O\n0.488483 0.976965 0.282887 O\n0.511517 0.488483 0.782887 O\n0.023035 0.511517 0.282887 O\n",
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"formula_full": "Ba2 Al2 Fe8 O14",
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{
"id": "mp-9454",
"created_at": "2022-09-04T14:46:16.113995Z",
"structure_string": "Sr6 Mg2 Ir2 O12\n1.0\n4.677166 -4.866909 0.000000\n4.677166 4.866909 0.000000\n-0.387185 0.000000 6.738900\nSr Mg Ir O\n6 2 2 12\ndirect\n0.614037 0.250000 0.885963 Sr\n0.885963 0.614037 0.250000 Sr\n0.750000 0.114037 0.385963 Sr\n0.385963 0.750000 0.114037 Sr\n0.114037 0.385963 0.750000 Sr\n0.250000 0.885963 0.614037 Sr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.595610 0.787001 0.463393 O\n0.463393 0.595610 0.787001 O\n0.787001 0.463393 0.595610 O\n0.904390 0.036607 0.712999 O\n0.712999 0.904390 0.036607 O\n0.036607 0.712999 0.904390 O\n0.404390 0.212999 0.536607 O\n0.536607 0.404390 0.212999 O\n0.212999 0.536607 0.404390 O\n0.095610 0.963393 0.287001 O\n0.963393 0.287001 0.095610 O\n0.287001 0.095610 0.963393 O\n",
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"formula_full": "Sr6 Mg2 Ir2 O12",
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{
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"structure_string": "Dy4 Fe2 Mo2 O14\n1.0\n3.615298 6.286742 0.000000\n-3.615298 6.286742 0.000000\n0.000000 4.158270 5.996208\nDy Fe Mo O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.117916 0.117916 0.113805 O\n0.882084 0.882084 0.886195 O\n0.391942 0.829366 0.833523 O\n0.829366 0.391942 0.833523 O\n0.836778 0.836778 0.384752 O\n0.608058 0.170634 0.166477 O\n0.170634 0.608058 0.166477 O\n0.163222 0.163222 0.615248 O\n0.874767 0.398189 0.392258 O\n0.398189 0.874767 0.392258 O\n0.398930 0.398930 0.870806 O\n0.125233 0.601811 0.607742 O\n0.601811 0.125233 0.607742 O\n0.601070 0.601070 0.129194 O\n",
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{
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"created_at": "2022-09-04T14:46:16.118289Z",
"structure_string": "Li1 V1 Te1 W2 O12\n1.0\n5.151595 0.000000 0.000000\n0.045372 5.345905 0.000000\n0.024357 0.391936 7.465784\nLi V Te W O\n1 1 1 2 12\ndirect\n0.000998 0.474703 0.226957 Li\n0.006514 0.036168 0.029117 V\n0.497812 0.501519 0.496579 Te\n0.502108 0.535874 0.988613 W\n0.003903 0.997773 0.526763 W\n0.694838 0.201215 0.555593 O\n0.910336 0.008455 0.252619 O\n0.704843 0.805686 0.952608 O\n0.799916 0.698801 0.553286 O\n0.195351 0.698711 0.056093 O\n0.619751 0.499690 0.252658 O\n0.391874 0.502015 0.745085 O\n0.795105 0.298813 0.965909 O\n0.190588 0.310587 0.439539 O\n0.285524 0.210084 0.052402 O\n0.100774 0.002042 0.755477 O\n0.299764 0.803469 0.443503 O\n",
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"formula_full": "Li1 V1 Te1 W2 O12",
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{
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"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n2.951217 -5.111658 0.000000\n2.951217 5.111658 0.000000\n0.000000 0.000000 9.435174\nLi Ti Cr O\n4 2 6 16\ndirect\n0.333333 0.666667 0.890853 Li\n0.000000 0.000000 0.994725 Li\n0.000000 0.000000 0.494725 Li\n0.666667 0.333333 0.390853 Li\n0.333333 0.666667 0.497801 Ti\n0.666667 0.333333 0.997801 Ti\n0.171874 0.828126 0.216874 Cr\n0.171874 0.343749 0.216874 Cr\n0.656251 0.828126 0.216874 Cr\n0.343749 0.171874 0.716874 Cr\n0.828126 0.656251 0.716874 Cr\n0.828126 0.171874 0.716874 Cr\n0.167477 0.832523 0.596189 O\n0.040198 0.520099 0.342073 O\n0.333333 0.666667 0.104136 O\n0.000000 0.000000 0.301465 O\n0.000000 0.000000 0.801465 O\n0.167477 0.334953 0.596189 O\n0.479901 0.959802 0.342073 O\n0.479901 0.520099 0.342073 O\n0.334953 0.167477 0.096189 O\n0.665047 0.832523 0.596189 O\n0.520099 0.479901 0.842073 O\n0.520099 0.040198 0.842073 O\n0.666667 0.333333 0.604136 O\n0.832523 0.665047 0.096189 O\n0.959802 0.479901 0.842073 O\n0.832523 0.167477 0.096189 O\n",
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{
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{
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},
{
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"structure_string": "Ba3 Sr1 Y2 Sb2 O12\n1.0\n6.000252 0.000000 0.000000\n2.999711 5.201332 0.000000\n2.999697 1.719191 9.795561\nBa Sr Y Sb O\n3 1 2 2 12\ndirect\n0.624540 0.624450 0.126580 Ba\n0.125417 0.125559 0.623404 Ba\n0.374214 0.375133 0.874592 Ba\n0.876148 0.874814 0.375525 Sr\n0.999534 0.999688 0.001330 Y\n0.500431 0.500291 0.498696 Y\n0.249060 0.249469 0.251810 Sb\n0.750910 0.750568 0.748161 Sb\n0.128629 0.606949 0.134969 O\n0.634371 0.103518 0.628195 O\n0.867606 0.394928 0.867865 O\n0.369323 0.894703 0.368937 O\n0.327965 0.387462 0.378788 O\n0.838418 0.878736 0.877713 O\n0.666688 0.627032 0.615934 O\n0.161975 0.121106 0.122757 O\n0.884833 0.348618 0.358560 O\n0.385974 0.857861 0.857782 O\n0.618747 0.136787 0.147931 O\n0.115217 0.642328 0.640472 O\n",
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"formula_full": "Ba3 Sr1 Y2 Sb2 O12",
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{
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"spacegroup": 123
}
]
}