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{
"id": "mp-13738",
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"structure_string": "Cs4 Cd4 P12 O36\n1.0\n7.639685 0.000000 0.000000\n0.000000 9.734147 0.000000\n0.000000 0.000000 12.867432\nCs Cd P O\n4 4 12 36\ndirect\n0.750000 0.385933 0.417091 Cs\n0.250000 0.614067 0.582909 Cs\n0.750000 0.885933 0.082909 Cs\n0.250000 0.114067 0.917091 Cs\n0.750000 0.014290 0.776786 Cd\n0.250000 0.985710 0.223214 Cd\n0.750000 0.514290 0.723214 Cd\n0.250000 0.485710 0.276786 Cd\n0.250000 0.704071 0.040951 P\n0.750000 0.295929 0.959049 P\n0.250000 0.204071 0.459049 P\n0.750000 0.795929 0.540951 P\n0.552871 0.252611 0.149716 P\n0.052871 0.747389 0.850284 P\n0.947129 0.752611 0.350284 P\n0.447129 0.247389 0.649716 P\n0.447129 0.747389 0.850284 P\n0.947129 0.252611 0.149716 P\n0.052871 0.247389 0.649716 P\n0.552871 0.752611 0.350284 P\n0.250000 0.853847 0.070115 O\n0.750000 0.146153 0.929885 O\n0.250000 0.353847 0.429885 O\n0.750000 0.646153 0.570115 O\n0.250000 0.594215 0.120888 O\n0.750000 0.405785 0.879112 O\n0.250000 0.094215 0.379112 O\n0.750000 0.905785 0.620888 O\n0.489394 0.358616 0.225005 O\n0.989394 0.641384 0.774995 O\n0.010606 0.858616 0.274995 O\n0.510606 0.141384 0.725005 O\n0.510606 0.641384 0.774995 O\n0.010606 0.358616 0.225005 O\n0.989394 0.141384 0.725005 O\n0.489394 0.858616 0.274995 O\n0.451028 0.122403 0.133447 O\n0.951029 0.877597 0.866553 O\n0.048972 0.622403 0.366553 O\n0.548971 0.377597 0.633447 O\n0.750000 0.206350 0.183999 O\n0.250000 0.793650 0.816001 O\n0.750000 0.706350 0.316001 O\n0.250000 0.293650 0.683999 O\n0.585730 0.825140 0.462308 O\n0.085730 0.174860 0.537692 O\n0.914270 0.325140 0.037692 O\n0.414270 0.674860 0.962308 O\n0.414270 0.174860 0.537692 O\n0.914270 0.825140 0.462308 O\n0.085730 0.674860 0.962308 O\n0.585730 0.325140 0.037692 O\n0.451028 0.622403 0.366553 O\n0.951029 0.377597 0.633447 O\n0.048972 0.122403 0.133447 O\n0.548971 0.877597 0.866553 O\n",
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{
"id": "mp-768243",
"created_at": "2022-09-04T14:40:37.947178Z",
"structure_string": "Tm8 Ti4 O20\n1.0\n3.591022 0.000000 0.000000\n0.000000 7.403885 0.000000\n0.000000 0.000000 15.351633\nTm Ti O\n8 4 20\ndirect\n0.250000 0.101032 0.084406 Tm\n0.250000 0.160061 0.737572 Tm\n0.750000 0.339939 0.237572 Tm\n0.750000 0.398968 0.584406 Tm\n0.250000 0.601032 0.415594 Tm\n0.250000 0.660061 0.762428 Tm\n0.750000 0.839939 0.262428 Tm\n0.750000 0.898968 0.915594 Tm\n0.250000 0.115547 0.423229 Ti\n0.750000 0.384453 0.923229 Ti\n0.250000 0.615547 0.076771 Ti\n0.750000 0.884453 0.576771 Ti\n0.750000 0.071932 0.174596 O\n0.750000 0.074855 0.453477 O\n0.750000 0.120193 0.648866 O\n0.750000 0.155100 0.995653 O\n0.250000 0.251387 0.322112 O\n0.750000 0.248613 0.822112 O\n0.250000 0.344900 0.495653 O\n0.250000 0.379807 0.148866 O\n0.250000 0.425145 0.953477 O\n0.250000 0.428068 0.674596 O\n0.750000 0.571932 0.325404 O\n0.750000 0.574855 0.046523 O\n0.750000 0.620193 0.851134 O\n0.750000 0.655100 0.504347 O\n0.250000 0.751387 0.177888 O\n0.750000 0.748613 0.677888 O\n0.250000 0.844900 0.004347 O\n0.250000 0.879807 0.351134 O\n0.250000 0.925145 0.546523 O\n0.250000 0.928068 0.825404 O\n",
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{
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{
"id": "mp-1204592",
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"structure_string": "Pb4 S12 O40\n1.0\n11.240802 0.000000 0.000000\n0.000000 8.779976 0.000000\n0.000000 0.000000 8.250679\nPb S O\n4 12 40\ndirect\n0.000000 0.783669 0.750000 Pb\n0.500000 0.716331 0.250000 Pb\n0.000000 0.216331 0.250000 Pb\n0.500000 0.283669 0.750000 Pb\n0.000000 0.784068 0.250000 S\n0.500000 0.715932 0.750000 S\n0.000000 0.215932 0.750000 S\n0.500000 0.284068 0.250000 S\n0.174292 0.570387 0.402591 S\n0.325708 0.929613 0.902591 S\n0.674292 0.929613 0.597409 S\n0.825708 0.570387 0.097409 S\n0.825708 0.429613 0.597409 S\n0.674292 0.070387 0.097409 S\n0.325708 0.070387 0.402591 S\n0.174292 0.429613 0.902591 S\n0.992538 0.867323 0.399564 O\n0.507462 0.632677 0.899564 O\n0.492538 0.632677 0.600436 O\n0.007462 0.867323 0.100436 O\n0.007462 0.132677 0.600436 O\n0.492538 0.367323 0.100436 O\n0.507462 0.367323 0.399564 O\n0.992538 0.132677 0.899564 O\n0.111442 0.675560 0.245828 O\n0.388558 0.824440 0.745828 O\n0.611442 0.824440 0.754172 O\n0.888558 0.675560 0.254172 O\n0.888558 0.324440 0.754172 O\n0.611442 0.175560 0.254172 O\n0.388558 0.175560 0.245828 O\n0.111442 0.324440 0.745828 O\n0.105570 0.430195 0.399917 O\n0.394430 0.069805 0.899917 O\n0.605570 0.069805 0.600083 O\n0.894430 0.430195 0.100083 O\n0.894430 0.569805 0.600083 O\n0.605570 0.930195 0.100083 O\n0.394430 0.930195 0.399917 O\n0.105570 0.569805 0.899917 O\n0.160272 0.662413 0.547386 O\n0.339728 0.837587 0.047386 O\n0.660272 0.837587 0.452614 O\n0.839728 0.662413 0.952614 O\n0.839728 0.337587 0.452614 O\n0.660272 0.162413 0.952614 O\n0.339728 0.162413 0.547386 O\n0.160272 0.337587 0.047386 O\n0.293273 0.559996 0.337307 O\n0.206727 0.940004 0.837307 O\n0.793273 0.940004 0.662693 O\n0.706727 0.559996 0.162693 O\n0.706727 0.440004 0.662693 O\n0.793273 0.059996 0.162693 O\n0.206727 0.059996 0.337307 O\n0.293273 0.440004 0.837307 O\n",
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{
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"structure_string": "Mg2 H16 C8 N12 O8\n1.0\n7.367616 0.000000 0.000000\n0.000000 7.484928 0.000000\n0.000000 1.565848 9.691296\nMg H C N O\n2 16 8 12 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.308034 0.168578 0.075669 H\n0.310822 0.850615 0.922589 H\n0.810822 0.149385 0.577411 H\n0.191966 0.168578 0.575669 H\n0.243938 0.985972 0.788742 H\n0.256062 0.985972 0.288742 H\n0.689178 0.149385 0.077411 H\n0.743938 0.014028 0.711258 H\n0.756062 0.014028 0.211258 H\n0.140429 0.234121 0.154428 H\n0.189178 0.850615 0.422589 H\n0.808034 0.831422 0.424331 H\n0.640429 0.765879 0.345572 H\n0.859571 0.765879 0.845572 H\n0.691966 0.831422 0.924331 H\n0.359571 0.234121 0.654428 H\n0.477175 0.352301 0.871636 C\n0.538174 0.403012 0.306181 C\n0.977175 0.647699 0.628364 C\n0.038174 0.596988 0.193819 C\n0.522825 0.647699 0.128364 C\n0.961826 0.403012 0.806181 C\n0.022825 0.352301 0.371636 C\n0.461826 0.596988 0.693819 C\n0.526815 0.254372 0.366004 N\n0.999611 0.264994 0.481689 N\n0.026815 0.745628 0.133996 N\n0.000389 0.735006 0.518311 N\n0.973185 0.254372 0.866004 N\n0.056999 0.427442 0.246176 N\n0.500389 0.264994 0.981689 N\n0.473185 0.745628 0.633996 N\n0.556999 0.572558 0.253824 N\n0.943001 0.572558 0.753824 N\n0.499611 0.735006 0.018311 N\n0.443001 0.427442 0.746176 N\n0.204924 0.919705 0.879350 O\n0.704924 0.080295 0.620650 O\n0.693005 0.875130 0.375533 O\n0.193005 0.124870 0.124467 O\n0.306995 0.124870 0.624467 O\n0.795076 0.080295 0.120650 O\n0.806995 0.875130 0.875533 O\n0.295076 0.919705 0.379350 O\n",
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{
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"structure_string": "Cs1 In1 Br3\n1.0\n5.774009 0.000000 0.000000\n0.000000 5.774009 0.000000\n0.000000 0.000000 5.774409\nCs In Br\n1 1 3\ndirect\n0.500000 0.500000 0.005730 Cs\n0.000000 0.000000 0.514602 In\n0.000000 0.500000 0.513664 Br\n0.000000 0.000000 0.014031 Br\n0.500000 0.000000 0.513664 Br\n",
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"formula_full": "Cs1 In1 Br3",
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{
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"structure_string": "Rb4 P2 H6 Se2 O16\n1.0\n7.715817 0.000000 0.000000\n1.434742 7.617749 0.000000\n0.028686 0.104037 7.853437\nRb P H Se O\n4 2 6 2 16\ndirect\n0.098740 0.788645 0.182589 Rb\n0.382809 0.721644 0.689511 Rb\n0.617191 0.278356 0.310489 Rb\n0.901260 0.211355 0.817411 Rb\n0.094626 0.255611 0.305967 P\n0.905374 0.744389 0.694033 P\n0.000000 0.500000 0.500000 H\n0.256762 0.117969 0.517304 H\n0.221731 0.379607 0.091975 H\n0.500000 0.000000 0.000000 H\n0.778269 0.620393 0.908025 H\n0.743238 0.882031 0.482696 H\n0.396731 0.250986 0.805045 Se\n0.603269 0.749014 0.194955 Se\n0.012086 0.644662 0.546899 O\n0.009562 0.825203 0.821119 O\n0.238368 0.103391 0.390752 O\n0.206755 0.388161 0.220800 O\n0.287313 0.106406 0.719595 O\n0.253028 0.412157 0.895814 O\n0.530192 0.144817 0.963995 O\n0.525187 0.332233 0.668062 O\n0.474813 0.667767 0.331938 O\n0.469808 0.855183 0.036005 O\n0.746972 0.587843 0.104186 O\n0.712687 0.893594 0.280405 O\n0.793245 0.611839 0.779200 O\n0.761632 0.896609 0.609248 O\n0.990438 0.174797 0.178881 O\n0.987914 0.355338 0.453101 O\n",
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{
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"structure_string": "Th1 Cu2 Ge2\n1.0\n-2.098152 2.098152 5.061497\n2.098152 -2.098152 5.061497\n2.098152 2.098152 -5.061497\nTh Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.623992 0.623992 0.000000 Ge\n0.376008 0.376008 0.000000 Ge\n",
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