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{
"id": "mp-1079801",
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"structure_string": "Nb1 Ni3 H2 C2\n1.0\n-2.139105 2.139105 3.800455\n2.139105 -2.139105 3.800455\n2.139105 2.139105 -3.800455\nNb Ni H C\n1 3 2 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.743416 0.743416 0.000000 H\n0.256584 0.256584 0.000000 H\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
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{
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],
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"formula_full": "Li8 Mo4 P8 O32",
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"spacegroup": 4
},
{
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"created_at": "2022-09-04T14:39:59.034109Z",
"structure_string": "Nb6 Sb2 P12 O48\n1.0\n-0.014978 8.933688 0.000000\n0.000000 0.000000 9.005497\n12.510125 -0.021104 0.000000\nNb Sb P O\n6 2 12 48\ndirect\n0.749903 0.464853 0.117706 Nb\n0.748505 0.034972 0.884975 Nb\n0.752154 0.535043 0.616506 Nb\n0.249903 0.035147 0.617706 Nb\n0.252154 0.964957 0.116506 Nb\n0.248505 0.465028 0.384975 Nb\n0.748543 0.965395 0.378674 Sb\n0.248543 0.534605 0.878674 Sb\n0.538997 0.750875 0.005832 P\n0.970505 0.255334 0.505269 P\n0.470505 0.244666 0.005269 P\n0.038997 0.749125 0.505832 P\n0.611131 0.598230 0.351393 P\n0.901524 0.117385 0.136099 P\n0.877520 0.388618 0.852828 P\n0.601213 0.884168 0.647654 P\n0.401524 0.382615 0.636099 P\n0.111131 0.901770 0.851393 P\n0.101213 0.615832 0.147654 P\n0.377520 0.111382 0.352828 P\n0.928244 0.593505 0.147130 O\n0.546173 0.110984 0.348934 O\n0.574568 0.404544 0.638207 O\n0.940184 0.936505 0.851597 O\n0.046173 0.389016 0.848934 O\n0.428244 0.906495 0.647130 O\n0.440184 0.563495 0.351597 O\n0.074568 0.095456 0.138207 O\n0.957779 0.828168 0.416716 O\n0.573179 0.333878 0.082646 O\n0.569216 0.146933 0.932205 O\n0.929233 0.666162 0.582470 O\n0.073179 0.166122 0.582646 O\n0.457779 0.671832 0.916716 O\n0.429233 0.833838 0.082470 O\n0.069216 0.353067 0.432205 O\n0.682428 0.489964 0.267558 O\n0.824238 0.012237 0.211421 O\n0.810142 0.497853 0.767161 O\n0.661942 0.966954 0.748438 O\n0.324238 0.487763 0.711421 O\n0.182428 0.010036 0.767558 O\n0.161942 0.533046 0.248438 O\n0.310142 0.002147 0.267161 O\n0.679792 0.562598 0.462641 O\n0.848440 0.088928 0.020268 O\n0.816612 0.436803 0.964060 O\n0.672116 0.945856 0.548392 O\n0.348440 0.411072 0.520268 O\n0.179792 0.937402 0.962641 O\n0.172116 0.554144 0.048392 O\n0.316612 0.063197 0.464060 O\n0.630722 0.639658 0.076307 O\n0.871190 0.159994 0.436870 O\n0.874596 0.362305 0.575117 O\n0.656011 0.861097 0.959811 O\n0.371190 0.340006 0.936870 O\n0.130722 0.860342 0.576307 O\n0.156011 0.638903 0.459811 O\n0.374596 0.137695 0.075117 O\n0.632149 0.757830 0.318563 O\n0.868281 0.284284 0.159773 O\n0.817555 0.230215 0.825279 O\n0.635215 0.715381 0.661502 O\n0.368281 0.215716 0.659773 O\n0.132149 0.742170 0.818563 O\n0.135215 0.784619 0.161502 O\n0.317555 0.269785 0.325279 O\n",
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"formula_full": "Nb6 Sb2 P12 O48",
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"spacegroup": 7
},
{
"id": "mp-695",
"created_at": "2022-09-04T14:39:59.035959Z",
"structure_string": "Ti2 Co4\n1.0\n0.000000 3.319684 3.319684\n3.319684 0.000000 3.319684\n3.319684 3.319684 0.000000\nTi Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Ti\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.625000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n",
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},
{
"id": "mp-562501",
"created_at": "2022-09-04T14:39:59.056906Z",
"structure_string": "Si4 P12 Ru4 O44\n1.0\n13.519064 -4.200047 0.000000\n13.519064 4.200047 0.000000\n12.214211 0.000000 7.156713\nSi P Ru O\n4 12 4 44\ndirect\n0.039764 0.039764 0.039764 Si\n0.539764 0.539764 0.539764 Si\n0.460236 0.460236 0.460236 Si\n0.960236 0.960236 0.960236 Si\n0.490425 0.787723 0.081445 P\n0.418555 0.712277 0.009575 P\n0.918555 0.509575 0.212277 P\n0.509575 0.212277 0.918555 P\n0.212277 0.918555 0.509575 P\n0.581445 0.287723 0.990425 P\n0.287723 0.990425 0.581445 P\n0.081445 0.490425 0.787723 P\n0.712277 0.009575 0.418555 P\n0.787723 0.081445 0.490425 P\n0.990425 0.581445 0.287723 P\n0.009575 0.418555 0.712277 P\n0.341107 0.341107 0.341107 Ru\n0.158893 0.158893 0.158893 Ru\n0.841107 0.841107 0.841107 Ru\n0.658893 0.658893 0.658893 Ru\n0.544171 0.488686 0.848235 O\n0.781020 0.825989 0.460270 O\n0.218980 0.174011 0.539730 O\n0.037745 0.462255 0.250000 O\n0.597548 0.350713 0.710629 O\n0.488686 0.848235 0.544171 O\n0.460270 0.781020 0.825989 O\n0.325989 0.281020 0.960270 O\n0.210629 0.850713 0.097548 O\n0.511314 0.151765 0.455829 O\n0.750000 0.962255 0.537745 O\n0.174011 0.539730 0.218980 O\n0.955829 0.651765 0.011314 O\n0.825989 0.460270 0.781020 O\n0.348235 0.988686 0.044171 O\n0.649287 0.289371 0.402452 O\n0.149287 0.902452 0.789371 O\n0.250000 0.037745 0.462255 O\n0.462255 0.250000 0.037745 O\n0.960270 0.325989 0.281020 O\n0.962255 0.537745 0.750000 O\n0.044171 0.348235 0.988686 O\n0.011314 0.955829 0.651765 O\n0.350713 0.710629 0.597548 O\n0.539730 0.218980 0.174011 O\n0.151765 0.455829 0.511314 O\n0.500000 0.500000 0.500000 O\n0.902452 0.789371 0.149287 O\n0.718980 0.039730 0.674011 O\n0.789371 0.149287 0.902452 O\n0.455829 0.511314 0.151765 O\n0.039730 0.674011 0.718980 O\n0.710629 0.597548 0.350713 O\n0.097548 0.210629 0.850713 O\n0.289371 0.402452 0.649287 O\n0.651765 0.011314 0.955829 O\n0.537745 0.750000 0.962255 O\n0.674011 0.718980 0.039730 O\n0.281020 0.960270 0.325989 O\n0.850713 0.097548 0.210629 O\n0.848235 0.544171 0.488686 O\n0.402452 0.649287 0.289371 O\n0.988686 0.044171 0.348235 O\n0.000000 0.000000 0.000000 O\n",
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},
{
"id": "mp-561360",
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"structure_string": "Ca51 W12 N56 O3\n1.0\n10.612063 0.000000 0.000000\n-4.244756 11.747436 0.000000\n-1.425472 -4.313522 15.440837\nCa W N O\n51 12 56 3\ndirect\n0.471798 0.522964 0.401347 Ca\n0.930876 0.173982 0.162162 Ca\n0.406217 0.764893 0.372107 Ca\n0.541227 0.393659 0.021577 Ca\n0.437423 0.678293 0.784793 Ca\n0.458773 0.606341 0.978423 Ca\n0.287606 0.135773 0.716997 Ca\n0.693175 0.957595 0.878058 Ca\n0.361520 0.904494 0.747939 Ca\n0.766860 0.721197 0.903811 Ca\n0.638480 0.095506 0.252061 Ca\n0.306825 0.042405 0.121942 Ca\n0.355604 0.856272 0.945887 Ca\n0.528202 0.477036 0.598653 Ca\n0.088442 0.694326 0.254067 Ca\n0.753954 0.773386 0.707128 Ca\n0.013349 0.949297 0.200561 Ca\n0.233140 0.278803 0.096189 Ca\n0.030508 0.880160 0.414757 Ca\n0.899647 0.368491 0.331163 Ca\n0.644300 0.035829 0.455708 Ca\n0.644396 0.143728 0.054113 Ca\n0.219958 0.329626 0.902913 Ca\n0.677738 0.021069 0.671675 Ca\n0.398615 0.805793 0.168993 Ca\n0.519704 0.430407 0.820158 Ca\n0.263124 0.193265 0.505885 Ca\n0.601385 0.194207 0.831007 Ca\n0.856208 0.418911 0.142690 Ca\n0.480296 0.569593 0.179842 Ca\n0.246046 0.226614 0.292872 Ca\n0.881391 0.340203 0.542563 Ca\n0.158455 0.512168 0.065332 Ca\n0.355700 0.964171 0.544292 Ca\n0.911558 0.305674 0.745933 Ca\n0.841545 0.487832 0.934668 Ca\n0.143792 0.581089 0.857310 Ca\n0.118609 0.659797 0.457437 Ca\n0.736876 0.806735 0.494115 Ca\n0.593783 0.235107 0.627893 Ca\n0.186701 0.456656 0.515327 Ca\n0.969492 0.119840 0.585243 Ca\n0.986651 0.050703 0.799439 Ca\n0.069124 0.826018 0.837838 Ca\n0.712394 0.864227 0.283003 Ca\n0.562577 0.321707 0.215207 Ca\n0.322262 0.978931 0.328325 Ca\n0.000000 0.000000 0.000000 Ca\n0.813299 0.543344 0.484673 Ca\n0.780042 0.670374 0.097087 Ca\n0.100353 0.631509 0.668837 Ca\n0.909042 0.256704 0.928146 W\n0.968207 0.097429 0.384355 W\n0.227595 0.486723 0.264829 W\n0.372547 0.117501 0.943643 W\n0.477856 0.756246 0.590784 W\n0.772405 0.513277 0.735171 W\n0.220531 0.375830 0.714463 W\n0.090958 0.743296 0.071854 W\n0.779469 0.624170 0.285537 W\n0.031793 0.902571 0.615645 W\n0.627453 0.882499 0.056357 W\n0.522144 0.243754 0.409216 W\n0.555730 0.792512 0.937618 N\n0.145411 0.018712 0.565803 N\n0.493800 0.042768 0.905137 N\n0.057651 0.386644 0.195925 N\n0.986408 0.602935 0.099438 N\n0.761063 0.466967 0.612871 N\n0.238937 0.533033 0.387129 N\n0.095049 0.433418 0.665766 N\n0.808806 0.144459 0.819118 N\n0.642427 0.587557 0.752127 N\n0.780848 0.301582 0.990786 N\n0.707853 0.371682 0.773424 N\n0.535018 0.873170 0.526182 N\n0.347959 0.338113 0.646616 N\n0.651888 0.543730 0.957513 N\n0.444270 0.207488 0.062382 N\n0.867405 0.886204 0.845680 N\n0.558912 0.834692 0.710086 N\n0.433171 0.350764 0.448516 N\n0.040181 0.202269 0.973023 N\n0.613975 0.769411 0.124859 N\n0.679819 0.514377 0.176090 N\n0.121421 0.054908 0.360290 N\n0.566829 0.649236 0.551484 N\n0.292147 0.628318 0.226576 N\n0.521955 0.918461 0.315068 N\n0.214425 0.994099 0.951528 N\n0.441088 0.165308 0.289914 N\n0.506200 0.957232 0.094863 N\n0.785575 0.005901 0.048472 N\n0.652041 0.661887 0.353384 N\n0.958674 0.753950 0.529470 N\n0.219152 0.698418 0.009214 N\n0.357573 0.412443 0.247873 N\n0.887339 0.765716 0.260647 N\n0.013592 0.397065 0.900562 N\n0.742326 0.258790 0.197299 N\n0.878579 0.945092 0.639710 N\n0.320181 0.485623 0.823910 N\n0.386025 0.230589 0.875141 N\n0.478045 0.081539 0.684932 N\n0.464982 0.126830 0.473818 N\n0.904951 0.566582 0.334234 N\n0.257674 0.741210 0.802701 N\n0.191194 0.855541 0.180882 N\n0.348112 0.456270 0.042487 N\n0.942349 0.613356 0.804075 N\n0.112661 0.234284 0.739353 N\n0.712441 0.306899 0.414064 N\n0.132595 0.113796 0.154320 N\n0.959819 0.797731 0.026977 N\n0.287559 0.693101 0.585936 N\n0.135337 0.920725 0.722928 N\n0.864663 0.079275 0.277072 N\n0.854589 0.981288 0.434197 N\n0.041326 0.246050 0.470530 N\n0.782093 0.177297 0.605070 O\n0.000000 0.500000 0.500000 O\n0.217907 0.822703 0.394930 O\n",
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