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{
"id": "mp-1211593",
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"structure_string": "Li4 Er24 B12 O56\n1.0\n6.154620 0.000000 -5.644269\n-6.144934 0.000000 -6.303547\n0.000000 15.484194 0.000000\nLi Er B O\n4 24 12 56\ndirect\n0.680511 0.560495 0.396093 Li\n0.319489 0.439505 0.603907 Li\n0.819489 0.939505 0.896093 Li\n0.180511 0.060495 0.103907 Li\n0.142562 0.692750 0.177806 Er\n0.857438 0.307250 0.822194 Er\n0.357438 0.807250 0.677806 Er\n0.642562 0.192750 0.322194 Er\n0.960232 0.944439 0.673970 Er\n0.039768 0.055561 0.326030 Er\n0.539768 0.555561 0.173970 Er\n0.460232 0.444439 0.826030 Er\n0.727014 0.575290 0.643937 Er\n0.272986 0.424710 0.356063 Er\n0.772986 0.924710 0.143937 Er\n0.227014 0.075290 0.856063 Er\n0.051978 0.717595 0.486804 Er\n0.948022 0.282405 0.513196 Er\n0.448022 0.782405 0.986804 Er\n0.551978 0.217595 0.013196 Er\n0.699668 0.938777 0.496097 Er\n0.300332 0.061223 0.503903 Er\n0.800332 0.561223 0.996097 Er\n0.199668 0.438777 0.003903 Er\n0.421870 0.834355 0.334118 Er\n0.578130 0.165645 0.665882 Er\n0.078130 0.665645 0.834118 Er\n0.921870 0.334355 0.165882 Er\n0.428842 0.972709 0.173001 B\n0.571158 0.027291 0.826999 B\n0.071158 0.527291 0.673001 B\n0.928842 0.472709 0.326999 B\n0.064100 0.854704 0.000544 B\n0.935900 0.145296 0.999456 B\n0.435900 0.645296 0.500544 B\n0.564100 0.354704 0.499456 B\n0.820298 0.778517 0.306993 B\n0.179702 0.221483 0.693007 B\n0.679702 0.721483 0.806993 B\n0.320298 0.278517 0.193007 B\n0.940499 0.822741 0.248322 O\n0.059501 0.177259 0.751678 O\n0.559501 0.677259 0.748322 O\n0.440499 0.322741 0.251678 O\n0.711002 0.406809 0.533576 O\n0.288998 0.593191 0.466424 O\n0.788998 0.093191 0.033576 O\n0.211002 0.906809 0.966424 O\n0.843958 0.778943 0.579341 O\n0.156042 0.221057 0.420659 O\n0.656042 0.721057 0.079341 O\n0.343958 0.278943 0.920659 O\n0.028047 0.881740 0.086119 O\n0.971953 0.118260 0.913881 O\n0.471953 0.618260 0.586119 O\n0.528047 0.381740 0.413881 O\n0.466198 0.990993 0.086897 O\n0.533802 0.009007 0.913103 O\n0.033802 0.509007 0.586897 O\n0.966198 0.490993 0.413103 O\n0.281742 0.922824 0.204903 O\n0.718258 0.077176 0.795097 O\n0.218258 0.577176 0.704903 O\n0.781742 0.422824 0.295097 O\n0.456415 0.277529 0.551796 O\n0.543585 0.722472 0.448204 O\n0.043585 0.222471 0.051796 O\n0.956415 0.777528 0.948204 O\n0.192544 0.894632 0.401772 O\n0.807456 0.105368 0.598228 O\n0.307456 0.605368 0.901772 O\n0.692544 0.394632 0.098228 O\n0.008804 0.535882 0.089624 O\n0.991196 0.464118 0.910376 O\n0.491196 0.964118 0.589624 O\n0.508804 0.035882 0.410376 O\n0.162377 0.875823 0.585451 O\n0.837623 0.124177 0.414549 O\n0.337623 0.624177 0.085451 O\n0.662377 0.375823 0.914549 O\n0.154049 0.877632 0.768350 O\n0.845951 0.122368 0.231650 O\n0.345951 0.622368 0.268350 O\n0.654049 0.377632 0.731650 O\n0.826505 0.772162 0.774624 O\n0.173495 0.227838 0.225376 O\n0.673495 0.727838 0.274624 O\n0.326505 0.272162 0.725376 O\n0.851626 0.799514 0.393993 O\n0.148374 0.200486 0.606007 O\n0.648374 0.700486 0.893993 O\n0.351626 0.299514 0.106007 O\n0.550559 0.996832 0.232847 O\n0.449441 0.003168 0.767153 O\n0.949441 0.503168 0.732847 O\n0.050559 0.496832 0.267153 O\n",
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"formula_full": "Li4 Er24 B12 O56",
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"spacegroup": 14
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{
"id": "mp-1204653",
"created_at": "2022-09-04T14:42:45.112193Z",
"structure_string": "Al4 C24 N4\n1.0\n0.000000 0.000000 -6.942260\n0.000000 -9.985659 0.000000\n-6.967607 0.000000 0.000000\nAl C N\n4 24 4\ndirect\n0.603197 0.750000 0.324091 Al\n0.896803 0.750000 0.824091 Al\n0.396803 0.250000 0.675909 Al\n0.103197 0.250000 0.175909 Al\n0.162228 0.750000 0.395764 C\n0.337772 0.750000 0.895764 C\n0.837772 0.250000 0.604236 C\n0.662228 0.250000 0.104236 C\n0.285435 0.863289 0.366743 C\n0.214565 0.636711 0.866743 C\n0.714565 0.363289 0.633257 C\n0.785435 0.136711 0.133257 C\n0.714565 0.136711 0.633257 C\n0.785435 0.363289 0.133257 C\n0.285435 0.636711 0.366743 C\n0.214565 0.863289 0.866743 C\n0.823804 0.750000 0.526015 C\n0.676196 0.750000 0.026015 C\n0.176196 0.250000 0.473985 C\n0.323804 0.250000 0.973985 C\n0.445541 0.916194 0.337274 C\n0.054459 0.583806 0.837274 C\n0.554459 0.416194 0.662726 C\n0.945541 0.083806 0.162726 C\n0.554459 0.083806 0.662726 C\n0.945541 0.416194 0.162726 C\n0.445541 0.583806 0.337274 C\n0.054459 0.916194 0.837274 C\n0.985842 0.750000 0.451684 N\n0.514158 0.750000 0.951684 N\n0.014158 0.250000 0.548316 N\n0.485842 0.250000 0.048316 N\n",
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{
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"structure_string": "P4 Rh4 S4\n1.0\n5.695708 0.000000 0.000000\n0.000000 5.695708 0.000000\n0.000000 0.000000 5.695708\nP Rh S\n4 4 4\ndirect\n0.109971 0.890029 0.390029 P\n0.890029 0.390029 0.109971 P\n0.390029 0.109971 0.890029 P\n0.609971 0.609971 0.609971 P\n0.505839 0.494161 0.994161 Rh\n0.494161 0.994161 0.505839 Rh\n0.994161 0.505839 0.494161 Rh\n0.005839 0.005839 0.005839 Rh\n0.890285 0.109715 0.609715 S\n0.109715 0.609715 0.890285 S\n0.609715 0.890285 0.109715 S\n0.390285 0.390285 0.390285 S\n",
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{
"id": "mp-1183278",
"created_at": "2022-09-04T14:42:45.118328Z",
"structure_string": "Al1 Pb3\n1.0\n-2.411413 2.411413 5.020753\n2.411413 -2.411413 5.020753\n2.411413 2.411413 -5.020753\nAl Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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{
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"structure_string": "Y2 Al6 C6\n1.0\n-1.719534 -2.978320 0.000000\n-1.719534 2.978320 0.000000\n0.000000 0.000000 -17.344267\nY Al C\n2 6 6\ndirect\n0.000000 0.000000 0.002654 Y\n0.000000 0.000000 0.502654 Y\n0.666667 0.333333 0.636356 Al\n0.333333 0.666667 0.136356 Al\n0.666667 0.333333 0.868503 Al\n0.333333 0.666667 0.368503 Al\n0.666667 0.333333 0.254700 Al\n0.333333 0.666667 0.754700 Al\n0.666667 0.333333 0.407403 C\n0.333333 0.666667 0.907403 C\n0.666667 0.333333 0.094457 C\n0.333333 0.666667 0.594457 C\n0.666667 0.333333 0.752028 C\n0.333333 0.666667 0.252028 C\n",
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{
"id": "mp-1214867",
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"structure_string": "Ba2 Gd1 Cu2 Hg1 O7\n1.0\n3.899150 0.000000 0.000000\n0.000000 3.899150 0.000000\n0.000000 0.000000 12.943807\nBa Gd Cu Hg O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.202589 Ba\n0.500000 0.500000 0.797411 Ba\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.371435 Cu\n0.000000 0.000000 0.628565 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.163945 O\n0.000000 0.000000 0.836055 O\n0.000000 0.500000 0.386646 O\n0.000000 0.500000 0.613354 O\n0.500000 0.000000 0.386646 O\n0.500000 0.000000 0.613354 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Rb1 Hf1 Mg30 O31\n1.0\n8.733240 0.000000 0.000000\n0.000000 8.733240 0.000000\n0.000000 0.000000 8.608691\nRb Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.019239 Rb\n0.500000 0.500000 0.999492 Hf\n0.500000 0.000000 0.998193 Mg\n0.000000 0.500000 0.998193 Mg\n0.000000 0.000000 0.490079 Mg\n0.500000 0.000000 0.502251 Mg\n0.000000 0.500000 0.502251 Mg\n0.500000 0.500000 0.500266 Mg\n0.245402 0.245402 0.999649 Mg\n0.754598 0.245402 0.999649 Mg\n0.245402 0.754598 0.999649 Mg\n0.754598 0.754598 0.999649 Mg\n0.248198 0.248198 0.500426 Mg\n0.751802 0.248198 0.500426 Mg\n0.248198 0.751802 0.500426 Mg\n0.751802 0.751802 0.500426 Mg\n0.258363 0.000000 0.256096 Mg\n0.741637 0.000000 0.256096 Mg\n0.244622 0.500000 0.256402 Mg\n0.755378 0.500000 0.256402 Mg\n0.249443 0.000000 0.747123 Mg\n0.750557 0.000000 0.747123 Mg\n0.242602 0.500000 0.743550 Mg\n0.757398 0.500000 0.743550 Mg\n0.000000 0.258363 0.256096 Mg\n0.500000 0.244622 0.256402 Mg\n0.000000 0.741637 0.256096 Mg\n0.500000 0.755378 0.256402 Mg\n0.000000 0.249443 0.747123 Mg\n0.500000 0.242602 0.743550 Mg\n0.000000 0.750557 0.747123 Mg\n0.500000 0.757398 0.743550 Mg\n0.500000 0.000000 0.254457 O\n0.000000 0.500000 0.254457 O\n0.500000 0.500000 0.246575 O\n0.000000 0.000000 0.723922 O\n0.500000 0.000000 0.746452 O\n0.000000 0.500000 0.746452 O\n0.500000 0.500000 0.753283 O\n0.252741 0.252741 0.248204 O\n0.747259 0.252741 0.248204 O\n0.252741 0.747259 0.248204 O\n0.747259 0.747259 0.248204 O\n0.250871 0.250871 0.751582 O\n0.749129 0.250871 0.751582 O\n0.250871 0.749129 0.751582 O\n0.749129 0.749129 0.751582 O\n0.279315 0.000000 0.999082 O\n0.720685 0.000000 0.999082 O\n0.259057 0.500000 0.999960 O\n0.740943 0.500000 0.999960 O\n0.258486 0.000000 0.501585 O\n0.741514 0.000000 0.501585 O\n0.252921 0.500000 0.499952 O\n0.747079 0.500000 0.499952 O\n0.000000 0.279315 0.999082 O\n0.500000 0.259057 0.999960 O\n0.000000 0.720685 0.999082 O\n0.500000 0.740943 0.999960 O\n0.000000 0.258486 0.501585 O\n0.500000 0.252921 0.499952 O\n0.000000 0.741514 0.501585 O\n0.500000 0.747079 0.499952 O\n",
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{
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"structure_string": "Tb2 Cl2\n1.0\n9.645553 -1.879211 0.000000\n9.645553 1.879211 0.000000\n9.279433 0.000000 3.234232\nTb Cl\n2 2\ndirect\n0.117742 0.117742 0.117742 Tb\n0.882258 0.882258 0.882258 Tb\n0.609799 0.609799 0.609799 Cl\n0.390201 0.390201 0.390201 Cl\n",
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{
"id": "mp-1210799",
"created_at": "2022-09-04T14:42:45.142208Z",
"structure_string": "Li8 Cd4\n1.0\n0.000000 5.045580 5.045580\n5.045580 0.000000 5.045580\n5.045580 5.045580 0.000000\nLi Cd\n8 4\ndirect\n0.398384 0.398384 0.398384 Li\n0.398384 0.398384 0.804849 Li\n0.398384 0.804849 0.398384 Li\n0.851616 0.851616 0.445151 Li\n0.851616 0.851616 0.851616 Li\n0.804849 0.398384 0.398384 Li\n0.851616 0.445151 0.851616 Li\n0.445151 0.851616 0.851616 Li\n0.125000 0.125000 0.125000 Cd\n0.125000 0.125000 0.625000 Cd\n0.125000 0.625000 0.125000 Cd\n0.625000 0.125000 0.125000 Cd\n",
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