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{
"id": "mp-1208571",
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"structure_string": "Tl8 Ni8 Mo12 O48\n1.0\n10.864811 0.000000 0.000000\n0.000000 10.864811 0.000000\n0.000000 0.000000 10.864811\nTl Ni Mo O\n8 8 12 48\ndirect\n0.054551 0.054551 0.054551 Tl\n0.445449 0.945449 0.554551 Tl\n0.945449 0.554551 0.445449 Tl\n0.554551 0.445449 0.945449 Tl\n0.821972 0.821972 0.821972 Tl\n0.678028 0.178028 0.321972 Tl\n0.178028 0.321972 0.678028 Tl\n0.321972 0.678028 0.178028 Tl\n0.336623 0.336623 0.336623 Ni\n0.163377 0.663377 0.836623 Ni\n0.663377 0.836623 0.163377 Ni\n0.836623 0.163377 0.663377 Ni\n0.605851 0.605851 0.605851 Ni\n0.894149 0.394149 0.105851 Ni\n0.394149 0.105851 0.894149 Ni\n0.105851 0.894149 0.394149 Ni\n0.022836 0.209068 0.376517 Mo\n0.477164 0.790932 0.876517 Mo\n0.977164 0.709068 0.123483 Mo\n0.376517 0.022836 0.209068 Mo\n0.522836 0.290932 0.623483 Mo\n0.876517 0.477164 0.790932 Mo\n0.123483 0.977164 0.709068 Mo\n0.623483 0.522836 0.290932 Mo\n0.209068 0.376517 0.022836 Mo\n0.709068 0.123483 0.977164 Mo\n0.290932 0.623483 0.522836 Mo\n0.790932 0.876517 0.477164 Mo\n0.017658 0.050985 0.324793 O\n0.482342 0.949015 0.824793 O\n0.982342 0.550985 0.175207 O\n0.324793 0.017658 0.050985 O\n0.517658 0.449015 0.675207 O\n0.824793 0.482342 0.949015 O\n0.175207 0.982342 0.550985 O\n0.675207 0.517658 0.449015 O\n0.050985 0.324793 0.017658 O\n0.550985 0.175207 0.982342 O\n0.449015 0.675207 0.517658 O\n0.949015 0.824793 0.482342 O\n0.272423 0.484523 0.436823 O\n0.227577 0.515477 0.936823 O\n0.727577 0.984523 0.063177 O\n0.436823 0.272423 0.484523 O\n0.772423 0.015477 0.563177 O\n0.936823 0.227577 0.515477 O\n0.063177 0.727577 0.984523 O\n0.563177 0.772423 0.015477 O\n0.484523 0.436823 0.272423 O\n0.984523 0.063177 0.727577 O\n0.015477 0.563177 0.772423 O\n0.515477 0.936823 0.227577 O\n0.049749 0.804466 0.236745 O\n0.450251 0.195534 0.736745 O\n0.950251 0.304466 0.263255 O\n0.236745 0.049749 0.804466 O\n0.549749 0.695534 0.763255 O\n0.736745 0.450251 0.195534 O\n0.263255 0.950251 0.304466 O\n0.763255 0.549749 0.695534 O\n0.804466 0.236745 0.049749 O\n0.304466 0.263255 0.950251 O\n0.695534 0.763255 0.549749 O\n0.195534 0.736745 0.450251 O\n0.178685 0.255529 0.403781 O\n0.321315 0.744471 0.903781 O\n0.821315 0.755529 0.096219 O\n0.403781 0.178685 0.255529 O\n0.678685 0.244471 0.596219 O\n0.903781 0.321315 0.744471 O\n0.096219 0.821315 0.755529 O\n0.596219 0.678685 0.244471 O\n0.255529 0.403781 0.178685 O\n0.755529 0.096219 0.821315 O\n0.244471 0.596219 0.678685 O\n0.744471 0.903781 0.321315 O\n",
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"formula_full": "Tl8 Ni8 Mo12 O48",
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"spacegroup": 198
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{
"id": "mp-1518672",
"created_at": "2022-09-04T14:43:03.197475Z",
"structure_string": "Ca8 La4 Sb4 O24\n1.0\n8.383031 0.000000 -0.000000\n-0.000000 8.383031 0.000000\n-0.000000 0.000000 8.383031\nCa La Sb O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ca\n-0.000000 -0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.750000 0.250000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.250000 0.250000 Sb\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.750000 0.750000 0.250000 Sb\n0.204261 0.310623 0.478048 O\n0.204261 0.689377 0.521952 O\n0.795739 0.310623 0.521952 O\n0.795739 0.689377 0.478048 O\n0.310623 0.478048 0.204261 O\n0.689377 0.521952 0.204261 O\n0.310623 0.521952 0.795739 O\n0.689377 0.478048 0.795739 O\n0.478048 0.204261 0.310623 O\n0.521952 0.204261 0.689377 O\n0.521952 0.795739 0.310623 O\n0.478048 0.795739 0.689377 O\n0.295739 0.189377 0.021951 O\n0.295739 0.810623 0.978048 O\n0.704261 0.189377 0.978048 O\n0.704261 0.810623 0.021951 O\n0.189377 0.021951 0.295739 O\n0.810623 0.978048 0.295739 O\n0.189377 0.978048 0.704261 O\n0.810623 0.021951 0.704261 O\n0.021951 0.295739 0.189377 O\n0.978048 0.295739 0.810623 O\n0.978048 0.704261 0.189377 O\n0.021951 0.704261 0.810623 O\n",
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"elements": [
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"formula_full": "Ca8 La4 Sb4 O24",
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{
"id": "mp-1196855",
"created_at": "2022-09-04T14:43:05.337292Z",
"structure_string": "La8 P12 H20 O40\n1.0\n-0.000118 -6.791008 -0.000049\n-10.353240 3.395340 2.062332\n0.002434 -0.000105 -14.317255\nLa P H O\n8 12 20 40\ndirect\n0.728191 0.224695 0.654782 La\n0.503406 0.775346 0.845228 La\n0.271805 0.775306 0.345218 La\n0.496588 0.224654 0.154774 La\n0.720380 0.435128 0.916113 La\n0.285331 0.564911 0.583874 La\n0.279625 0.564875 0.083890 La\n0.714664 0.435089 0.416124 La\n0.998570 0.734265 0.946443 P\n0.264312 0.265715 0.553572 P\n0.001428 0.265733 0.053559 P\n0.735685 0.734286 0.446428 P\n0.227162 0.437349 0.817546 P\n0.789797 0.562635 0.682463 P\n0.772840 0.562650 0.182456 P\n0.210201 0.437364 0.317535 P\n0.485813 0.121900 0.882959 P\n0.363835 0.878110 0.617048 P\n0.514185 0.878100 0.117042 P\n0.636163 0.121891 0.382952 P\n0.003666 0.821255 0.032842 H\n0.182404 0.178747 0.467156 H\n0.996338 0.178748 0.967158 H\n0.817598 0.821252 0.532845 H\n0.304386 0.346673 0.760611 H\n0.957666 0.653327 0.739384 H\n0.695617 0.653327 0.239389 H\n0.042331 0.346674 0.260614 H\n0.269294 0.073455 0.862336 H\n0.195747 0.926534 0.637716 H\n0.730705 0.926545 0.137663 H\n0.804250 0.073466 0.362285 H\n0.917725 0.007577 0.678168 H\n0.910133 0.992429 0.821821 H\n0.082279 0.992423 0.321832 H\n0.089867 0.007570 0.178178 H\n0.123061 0.126719 0.677499 H\n0.996314 0.873290 0.822488 H\n0.876940 0.873281 0.322500 H\n0.003684 0.126711 0.177511 H\n0.522579 0.215819 0.980587 O\n0.306666 0.784183 0.519425 O\n0.477420 0.784179 0.019412 O\n0.693333 0.215816 0.480577 O\n0.772908 0.680945 0.902636 O\n0.091987 0.319061 0.597379 O\n0.227095 0.319057 0.097365 O\n0.908011 0.680939 0.402619 O\n0.153363 0.806453 0.882429 O\n0.346885 0.193516 0.617573 O\n0.846641 0.193550 0.117569 O\n0.653114 0.806483 0.382427 O\n0.360672 0.476560 0.913814 O\n0.884118 0.523371 0.586206 O\n0.639336 0.523441 0.086186 O\n0.115876 0.476629 0.413792 O\n0.266553 0.555993 0.768865 O\n0.710457 0.444039 0.731184 O\n0.733449 0.444007 0.231136 O\n0.289543 0.555963 0.268816 O\n0.051089 0.616680 0.970672 O\n0.434411 0.383294 0.529325 O\n0.948914 0.383321 0.029326 O\n0.565590 0.616702 0.470674 O\n0.568399 0.008198 0.877558 O\n0.560005 0.991865 0.622393 O\n0.431601 0.991800 0.122441 O\n0.439993 0.008132 0.377608 O\n0.575293 0.209329 0.809919 O\n0.366035 0.790660 0.690059 O\n0.424708 0.790671 0.190081 O\n0.633965 0.209340 0.309944 O\n0.996261 0.369765 0.824884 O\n0.626540 0.630261 0.675087 O\n0.003745 0.630235 0.175117 O\n0.373460 0.369742 0.324913 O\n0.977116 0.101431 0.696926 O\n0.875633 0.898568 0.803095 O\n0.022885 0.898567 0.303074 O\n0.124366 0.101430 0.196904 O\n",
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{
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"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n3.474937 0.000000 0.000000\n0.000000 11.266125 0.000000\n0.000000 0.000000 12.874592\nTi Cr Ag S\n4 4 4 16\ndirect\n0.000000 0.800349 0.116876 Ti\n0.500000 0.199651 0.616876 Ti\n0.000000 0.821531 0.587683 Ti\n0.500000 0.178469 0.087683 Ti\n0.500000 0.690988 0.887794 Cr\n0.000000 0.309012 0.387794 Cr\n0.500000 0.663243 0.409293 Cr\n0.000000 0.336757 0.909293 Cr\n0.500000 0.496378 0.688477 Ag\n0.000000 0.001141 0.319142 Ag\n0.000000 0.503622 0.188477 Ag\n0.500000 0.998859 0.819142 Ag\n0.000000 0.715425 0.290885 S\n0.500000 0.786332 0.713632 S\n0.500000 0.284575 0.790885 S\n0.000000 0.213668 0.213632 S\n0.500000 0.657543 0.068529 S\n0.000000 0.832988 0.929093 S\n0.000000 0.342457 0.568529 S\n0.500000 0.167012 0.429093 S\n0.000000 0.622646 0.532516 S\n0.500000 0.869299 0.461895 S\n0.500000 0.377354 0.032516 S\n0.000000 0.130701 0.961895 S\n0.000000 0.548018 0.847887 S\n0.500000 0.950216 0.146298 S\n0.500000 0.451982 0.347887 S\n0.000000 0.049784 0.646298 S\n",
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{
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"structure_string": "Li2 Fe8 B8 O24\n1.0\n-5.252126 0.000000 0.000000\n-0.157953 -9.148571 0.000000\n2.589047 4.479406 10.171507\nLi Fe B O\n2 8 8 24\ndirect\n0.276880 0.273115 0.892204 Li\n0.260567 0.247331 0.155396 Li\n0.009754 0.350002 0.379718 Fe\n0.263399 0.929448 0.875015 Fe\n0.488539 0.150685 0.628977 Fe\n0.237620 0.574219 0.131135 Fe\n0.773430 0.442526 0.880900 Fe\n0.519567 0.852561 0.377908 Fe\n0.983637 0.648787 0.629437 Fe\n0.731234 0.058577 0.122105 Fe\n0.029233 0.686295 0.379971 B\n0.268699 0.596751 0.871282 B\n0.472966 0.813013 0.625434 B\n0.236359 0.906114 0.135183 B\n0.521000 0.182769 0.372894 B\n0.770334 0.118205 0.884586 B\n0.979379 0.315640 0.632591 B\n0.733210 0.383179 0.119272 B\n0.027999 0.119328 0.890270 O\n0.116997 0.696773 0.825345 O\n0.149453 0.496433 0.914332 O\n0.151885 0.210139 0.649305 O\n0.025578 0.414792 0.572038 O\n0.239682 0.824591 0.665919 O\n0.262849 0.674721 0.339360 O\n0.528444 0.588838 0.875182 O\n0.608385 0.217891 0.833417 O\n0.477125 0.086493 0.435258 O\n0.343798 0.285149 0.351255 O\n0.640546 0.028405 0.931570 O\n0.355933 0.007452 0.093124 O\n0.639793 0.701261 0.631163 O\n0.533143 0.925238 0.577648 O\n0.386896 0.806439 0.181961 O\n0.470309 0.378471 0.107930 O\n0.751494 0.330834 0.678580 O\n0.748518 0.169849 0.327053 O\n0.969160 0.574655 0.428303 O\n0.861476 0.797337 0.373271 O\n0.862083 0.473610 0.073419 O\n0.891720 0.286478 0.174110 O\n0.976007 0.913126 0.130110 O\n",
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{
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"structure_string": "Sr4 Y4 Fe4 O14\n1.0\n-2.824419 2.908020 11.965962\n2.824419 -2.908020 11.965962\n2.824419 2.908020 -11.965962\nSr Y Fe O\n4 4 4 14\ndirect\n0.827095 0.844616 0.959197 Sr\n0.172905 0.132103 0.017521 Sr\n0.614582 0.632103 0.959197 Sr\n0.385418 0.344616 0.017521 Sr\n0.500000 0.486078 0.986078 Y\n0.000000 0.986078 0.986078 Y\n0.197215 0.765791 0.463006 Y\n0.802785 0.265791 0.568577 Y\n0.930938 0.404204 0.486907 Fe\n0.069062 0.555969 0.473266 Fe\n0.582703 0.055969 0.486907 Fe\n0.417297 0.904204 0.473266 Fe\n0.839697 0.653595 0.993292 O\n0.160303 0.153595 0.813898 O\n0.740195 0.694249 0.555174 O\n0.259805 0.814979 0.954054 O\n0.360925 0.314979 0.555174 O\n0.639075 0.194249 0.954054 O\n0.135144 0.120157 0.386317 O\n0.864856 0.251173 0.985014 O\n0.766160 0.751173 0.386317 O\n0.233840 0.620157 0.985014 O\n0.390307 0.761415 0.485978 O\n0.609693 0.095671 0.371107 O\n0.224563 0.595671 0.485978 O\n0.775437 0.261415 0.371107 O\n",
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{
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