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{
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{
"id": "mp-1206240",
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{
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"formula_full": "Rb12 Yb4 Cl24",
"formula_reduced": "Rb3YbCl6",
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{
"id": "mp-31019",
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"structure_string": "Al45 Cr7\n1.0\n3.780377 10.299465 0.000000\n-3.780377 10.299465 0.000000\n0.000000 3.260258 10.429981\nAl Cr\n45 7\ndirect\n0.500000 0.500000 0.500000 Al\n0.384921 0.384921 0.229181 Al\n0.615079 0.615079 0.770819 Al\n0.707578 0.707578 0.513979 Al\n0.292422 0.292422 0.486021 Al\n0.625944 0.625944 0.365915 Al\n0.374056 0.374056 0.634085 Al\n0.477947 0.477947 0.756349 Al\n0.522053 0.522053 0.243651 Al\n0.919432 0.919432 0.439620 Al\n0.080568 0.080568 0.560380 Al\n0.871515 0.871515 0.112133 Al\n0.128485 0.128485 0.887867 Al\n0.909613 0.909613 0.842575 Al\n0.090387 0.090387 0.157425 Al\n0.776020 0.776020 0.990614 Al\n0.223980 0.223980 0.009386 Al\n0.005169 0.631434 0.354922 Al\n0.368566 0.994831 0.645078 Al\n0.994831 0.368566 0.645078 Al\n0.631434 0.005169 0.354922 Al\n0.248378 0.613059 0.990224 Al\n0.386941 0.751622 0.009776 Al\n0.751622 0.386941 0.009776 Al\n0.613059 0.248378 0.990224 Al\n0.224351 0.847437 0.794854 Al\n0.152563 0.775649 0.205146 Al\n0.775649 0.152563 0.205146 Al\n0.847437 0.224351 0.794854 Al\n0.004504 0.375050 0.380905 Al\n0.624950 0.995496 0.619095 Al\n0.995496 0.624950 0.619095 Al\n0.375050 0.004504 0.380905 Al\n0.151049 0.757777 0.621757 Al\n0.242223 0.848951 0.378243 Al\n0.848951 0.242223 0.378243 Al\n0.757777 0.151049 0.621757 Al\n0.141523 0.527632 0.854769 Al\n0.472368 0.858477 0.145231 Al\n0.858477 0.472368 0.145231 Al\n0.527632 0.141523 0.854769 Al\n0.106136 0.480894 0.134302 Al\n0.519106 0.893864 0.865698 Al\n0.893864 0.519106 0.865698 Al\n0.480894 0.106136 0.134302 Al\n0.000000 0.000000 0.000000 Cr\n0.749794 0.749794 0.238273 Cr\n0.250206 0.250206 0.761727 Cr\n0.240093 0.589504 0.417887 Cr\n0.410496 0.759907 0.582113 Cr\n0.759907 0.410496 0.582113 Cr\n0.589504 0.240093 0.417887 Cr\n",
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"updated_at": "2021-11-28T01:36:37.824000Z",
"spacegroup": 12
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{
"id": "mp-541508",
"created_at": "2022-09-04T14:44:15.601111Z",
"structure_string": "K4 V4 Pb4 O16\n1.0\n5.896718 0.000000 0.000000\n0.000000 7.850865 0.000000\n0.000000 0.000000 10.332603\nK V Pb O\n4 4 4 16\ndirect\n0.250000 0.179214 0.910600 K\n0.750000 0.820786 0.089400 K\n0.250000 0.679214 0.589400 K\n0.750000 0.320786 0.410600 K\n0.750000 0.256913 0.079329 V\n0.250000 0.743087 0.920671 V\n0.750000 0.756913 0.420671 V\n0.250000 0.243087 0.579329 V\n0.750000 0.477534 0.783134 Pb\n0.250000 0.522466 0.216866 Pb\n0.750000 0.977534 0.716866 Pb\n0.250000 0.022466 0.283134 Pb\n0.250000 0.528562 0.893033 O\n0.750000 0.471438 0.106967 O\n0.250000 0.028562 0.606967 O\n0.750000 0.971438 0.393033 O\n0.750000 0.219870 0.909598 O\n0.250000 0.780130 0.090402 O\n0.750000 0.719870 0.590402 O\n0.250000 0.280130 0.409598 O\n0.993323 0.164285 0.146260 O\n0.493323 0.835715 0.853740 O\n0.506677 0.664285 0.353740 O\n0.006677 0.335715 0.646260 O\n0.006677 0.835715 0.853740 O\n0.506677 0.164285 0.146260 O\n0.493323 0.335715 0.646260 O\n0.993323 0.664285 0.353740 O\n",
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"formula_full": "K4 V4 Pb4 O16",
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{
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"created_at": "2022-09-04T14:44:15.669908Z",
"structure_string": "Hf18 Re8 Ni2\n1.0\n8.599086 0.000000 0.000000\n-4.299543 7.447027 0.000000\n0.000000 0.000000 8.432780\nHf Re Ni\n18 8 2\ndirect\n0.198266 0.801734 0.445051 Hf\n0.198266 0.396531 0.445051 Hf\n0.603469 0.801734 0.445051 Hf\n0.801734 0.198266 0.554949 Hf\n0.801734 0.603469 0.554949 Hf\n0.396531 0.198266 0.554949 Hf\n0.801734 0.198266 0.945051 Hf\n0.801734 0.603469 0.945051 Hf\n0.396531 0.198266 0.945051 Hf\n0.198266 0.801734 0.054949 Hf\n0.198266 0.396531 0.054949 Hf\n0.603469 0.801734 0.054949 Hf\n0.540310 0.459690 0.250000 Hf\n0.540310 0.080620 0.250000 Hf\n0.919380 0.459690 0.250000 Hf\n0.459690 0.540310 0.750000 Hf\n0.459690 0.919380 0.750000 Hf\n0.080620 0.540310 0.750000 Hf\n0.889366 0.110634 0.250000 Re\n0.889366 0.778731 0.250000 Re\n0.221269 0.110634 0.250000 Re\n0.110634 0.889366 0.750000 Re\n0.110634 0.221269 0.750000 Re\n0.778731 0.889366 0.750000 Re\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n",
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{
"id": "mp-545783",
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"structure_string": "Ba1 Bi1 O3\n1.0\n4.428113 0.000000 0.000000\n0.000000 4.428113 0.000000\n0.000000 0.000000 4.428113\nBa Bi O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-996992",
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{
"id": "mp-673059",
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"structure_string": "Li4 Sb4 P8 O28\n1.0\n8.551027 0.000000 0.000000\n0.000000 5.132655 0.000000\n0.000000 5.011327 12.382313\nLi Sb P O\n4 4 8 28\ndirect\n0.349363 0.254614 0.896675 Li\n0.650637 0.745386 0.103325 Li\n0.849363 0.745386 0.603325 Li\n0.150637 0.254614 0.396675 Li\n0.795554 0.029650 0.285860 Sb\n0.295554 0.970350 0.214140 Sb\n0.704446 0.029650 0.785860 Sb\n0.204446 0.970350 0.714140 Sb\n0.289994 0.657399 0.019216 P\n0.710006 0.342601 0.980784 P\n0.210006 0.657399 0.519216 P\n0.036757 0.564849 0.162191 P\n0.463243 0.564849 0.662191 P\n0.963243 0.435151 0.837809 P\n0.536757 0.435151 0.337809 P\n0.789994 0.342601 0.480784 P\n0.376102 0.295713 0.729808 O\n0.686200 0.135401 0.095174 O\n0.175943 0.346802 0.539191 O\n0.898051 0.325080 0.958949 O\n0.313800 0.864599 0.904826 O\n0.186200 0.864599 0.404826 O\n0.078137 0.803706 0.204291 O\n0.124860 0.753049 0.602656 O\n0.421863 0.803706 0.704291 O\n0.375140 0.753049 0.102656 O\n0.361781 0.475926 0.339811 O\n0.623898 0.704287 0.270192 O\n0.638219 0.524074 0.660189 O\n0.601949 0.325080 0.458949 O\n0.624860 0.246951 0.897344 O\n0.824057 0.653198 0.460809 O\n0.324057 0.346802 0.039191 O\n0.921863 0.196294 0.795709 O\n0.813800 0.135401 0.595174 O\n0.875140 0.246951 0.397344 O\n0.398051 0.674920 0.541051 O\n0.578137 0.196294 0.295709 O\n0.675943 0.653198 0.960809 O\n0.123898 0.295713 0.229808 O\n0.861781 0.524074 0.160189 O\n0.876102 0.704287 0.770192 O\n0.101949 0.674920 0.041051 O\n0.138219 0.475926 0.839811 O\n",
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{
"id": "mp-1030523",
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"structure_string": "Te2 Mo3 W1 Se6\n1.0\n1.690501 -2.928033 0.000000\n1.690501 2.928033 0.000000\n0.000000 0.000000 38.429637\nTe Mo W Se\n2 3 1 6\ndirect\n0.333333 0.666667 0.706413 Te\n0.333333 0.666667 0.608655 Te\n0.333333 0.666667 0.093909 Mo\n0.333333 0.666667 0.469667 Mo\n0.666667 0.333333 0.657557 Mo\n0.666667 0.333333 0.281801 W\n0.333333 0.666667 0.325016 Se\n0.666667 0.333333 0.050860 Se\n0.666667 0.333333 0.426591 Se\n0.666667 0.333333 0.136985 Se\n0.666667 0.333333 0.512716 Se\n0.333333 0.666667 0.238578 Se\n",
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{
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{
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{
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}