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{
"id": "mp-770892",
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"structure_string": "V8 P8 O40\n1.0\n6.234870 0.000000 0.000000\n0.000000 10.615029 0.000000\n0.000000 0.000000 12.580108\nV P O\n8 8 40\ndirect\n0.000601 0.497033 0.115729 V\n0.273340 0.253457 0.250200 V\n0.773340 0.753457 0.249800 V\n0.500601 0.997033 0.384271 V\n0.499399 0.497033 0.615729 V\n0.226660 0.253457 0.750200 V\n0.726660 0.753457 0.749800 V\n0.999399 0.997033 0.884271 V\n0.837245 0.759618 0.002965 P\n0.495933 0.517676 0.186073 P\n0.995933 0.017676 0.313927 P\n0.337245 0.259618 0.497035 P\n0.662755 0.759618 0.502965 P\n0.004067 0.517676 0.686073 P\n0.504067 0.017676 0.813927 P\n0.162755 0.259618 0.997035 P\n0.023565 0.383375 0.006806 O\n0.980457 0.644946 0.013448 O\n0.304978 0.249717 0.097744 O\n0.696152 0.781509 0.103142 O\n0.693210 0.493621 0.114207 O\n0.299884 0.544207 0.114266 O\n0.036793 0.396450 0.215787 O\n0.958830 0.646378 0.221221 O\n0.953929 0.900530 0.243715 O\n0.041836 0.134525 0.242545 O\n0.541836 0.634525 0.257455 O\n0.453929 0.400530 0.256285 O\n0.458830 0.146378 0.278779 O\n0.536793 0.896450 0.284213 O\n0.799884 0.044207 0.385734 O\n0.193210 0.993621 0.385793 O\n0.196152 0.281509 0.396858 O\n0.804978 0.749717 0.402256 O\n0.480457 0.144946 0.486552 O\n0.523565 0.883375 0.493194 O\n0.476435 0.383375 0.506806 O\n0.519543 0.644946 0.513448 O\n0.195022 0.249717 0.597744 O\n0.803848 0.781509 0.603142 O\n0.806790 0.493621 0.614207 O\n0.200116 0.544207 0.614266 O\n0.463207 0.396450 0.715787 O\n0.541170 0.646378 0.721221 O\n0.546071 0.900530 0.743715 O\n0.458164 0.134525 0.742545 O\n0.958164 0.634525 0.757455 O\n0.046071 0.400530 0.756285 O\n0.041170 0.146378 0.778779 O\n0.963207 0.896450 0.784213 O\n0.700116 0.044207 0.885734 O\n0.306790 0.993621 0.885793 O\n0.303848 0.281509 0.896858 O\n0.695022 0.749717 0.902256 O\n0.019543 0.144946 0.986552 O\n0.976435 0.883375 0.993194 O\n",
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"spacegroup": 33
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{
"id": "mp-1213679",
"created_at": "2022-09-04T14:40:06.120978Z",
"structure_string": "Er6 Te1 O12\n1.0\n0.414840 -0.782510 -9.672176\n-3.221151 -5.484046 -0.833436\n-3.451859 5.491869 1.053356\nEr Te O\n6 1 12\ndirect\n0.001202 0.704008 0.304184 Er\n0.998798 0.295992 0.695816 Er\n0.661169 0.058260 0.201115 Er\n0.338831 0.941740 0.798885 Er\n0.729279 0.739317 0.603303 Er\n0.270721 0.260683 0.396697 Er\n0.000000 0.000000 0.000000 Te\n0.958764 0.927107 0.671881 O\n0.041236 0.072893 0.328119 O\n0.995226 0.672600 0.935094 O\n0.004774 0.327400 0.064906 O\n0.799843 0.028595 0.969024 O\n0.200157 0.971405 0.030976 O\n0.557650 0.839051 0.787910 O\n0.442350 0.160949 0.212090 O\n0.790698 0.370953 0.505296 O\n0.209302 0.629047 0.494704 O\n0.752520 0.789465 0.306319 O\n0.247480 0.210535 0.693681 O\n",
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"formula_full": "Er6 Te1 O12",
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},
{
"id": "mp-776581",
"created_at": "2022-09-04T14:39:14.316923Z",
"structure_string": "Li4 Mn6 B6 O18\n1.0\n6.306066 0.000000 0.000000\n-0.153472 8.280648 0.000000\n-3.011795 -4.064991 7.102010\nLi Mn B O\n4 6 6 18\ndirect\n0.406405 0.297125 0.280926 Li\n0.108906 0.974503 0.689334 Li\n0.587182 0.988573 0.694660 Li\n0.282870 0.720911 0.020579 Li\n0.156784 0.003178 0.330994 Mn\n0.688119 0.011945 0.370358 Mn\n0.996616 0.352868 0.005971 Mn\n0.501838 0.376660 0.997144 Mn\n0.303824 0.603939 0.622507 Mn\n0.844315 0.658651 0.699887 Mn\n0.005387 0.000757 0.987982 B\n0.489690 0.998961 0.987422 B\n0.108351 0.328197 0.675261 B\n0.571998 0.332201 0.658981 B\n0.915055 0.667221 0.350818 B\n0.402353 0.672060 0.334712 B\n0.183544 0.256941 0.799221 O\n0.647761 0.267564 0.786158 O\n0.997623 0.212339 0.487677 O\n0.484732 0.214962 0.467872 O\n0.082110 0.184816 0.121984 O\n0.529791 0.192710 0.082240 O\n0.153146 0.523074 0.753284 O\n0.584720 0.524378 0.731714 O\n0.437371 0.583527 0.441310 O\n0.987883 0.616435 0.489737 O\n0.811519 0.531754 0.161683 O\n0.323045 0.559558 0.139479 O\n0.399250 0.898957 0.790992 O\n0.892609 0.943861 0.796114 O\n0.443690 0.861938 0.413846 O\n0.950710 0.852557 0.404041 O\n0.039186 0.861257 0.035503 O\n0.531640 0.909240 0.089657 O\n",
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"formula_full": "Li4 Mn6 B6 O18",
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"spacegroup": 1
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{
"id": "mp-1180331",
"created_at": "2022-09-04T14:40:22.811694Z",
"structure_string": "Mn6 V4 Si6\n1.0\n3.533764 -6.120659 0.000000\n3.533764 6.120659 0.000000\n0.000000 0.000000 4.795800\nMn V Si\n6 4 6\ndirect\n0.739033 0.739033 0.250000 Mn\n0.260967 0.000000 0.250000 Mn\n0.000000 0.260967 0.250000 Mn\n0.260967 0.260967 0.750000 Mn\n0.739033 0.000000 0.750000 Mn\n0.000000 0.739033 0.750000 Mn\n0.666667 0.333333 0.500000 V\n0.333333 0.666667 0.500000 V\n0.333333 0.666667 0.000000 V\n0.666667 0.333333 0.000000 V\n0.380656 0.380656 0.250000 Si\n0.619344 0.000000 0.250000 Si\n0.000000 0.619344 0.250000 Si\n0.619344 0.619344 0.750000 Si\n0.380656 0.000000 0.750000 Si\n0.000000 0.380656 0.750000 Si\n",
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"density": 5.618262835575665,
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"formula_full": "Mn6 V4 Si6",
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{
"id": "mp-1177916",
"created_at": "2022-09-04T14:39:39.525117Z",
"structure_string": "Li8 Mn4 Cr12 O32\n1.0\n8.338659 0.000000 0.000000\n0.000000 8.338659 0.000000\n0.000000 0.000000 8.424175\nLi Mn Cr O\n8 4 12 32\ndirect\n0.748876 0.001498 0.626587 Li\n0.998502 0.251124 0.873413 Li\n0.501498 0.751124 0.876587 Li\n0.751124 0.501498 0.123413 Li\n0.251124 0.998502 0.126587 Li\n0.001498 0.748876 0.373413 Li\n0.498502 0.248876 0.376587 Li\n0.248876 0.498502 0.623413 Li\n0.622023 0.377977 0.750000 Mn\n0.877977 0.877977 0.000000 Mn\n0.377977 0.622023 0.250000 Mn\n0.122023 0.122023 0.500000 Mn\n0.871549 0.627785 0.750631 Cr\n0.124971 0.875029 0.750000 Cr\n0.372215 0.128451 0.749369 Cr\n0.127785 0.628451 0.000631 Cr\n0.375029 0.375029 0.000000 Cr\n0.628451 0.127785 0.999369 Cr\n0.128451 0.372215 0.250631 Cr\n0.875029 0.124971 0.250000 Cr\n0.627785 0.871549 0.249369 Cr\n0.872215 0.371549 0.500631 Cr\n0.624971 0.624971 0.500000 Cr\n0.371549 0.872215 0.499369 Cr\n0.854191 0.387703 0.739913 O\n0.631134 0.611046 0.736482 O\n0.353948 0.883712 0.738935 O\n0.889985 0.870806 0.767974 O\n0.129194 0.110015 0.732026 O\n0.116288 0.646052 0.761065 O\n0.388954 0.368866 0.763518 O\n0.612297 0.145809 0.760087 O\n0.887703 0.645809 0.989913 O\n0.111046 0.868866 0.986482 O\n0.383712 0.146052 0.988935 O\n0.370806 0.610015 0.017974 O\n0.610015 0.370806 0.982026 O\n0.146052 0.383712 0.011065 O\n0.868866 0.111046 0.013518 O\n0.645809 0.887703 0.010087 O\n0.145809 0.612297 0.239913 O\n0.368866 0.388954 0.236482 O\n0.646052 0.116288 0.238935 O\n0.110015 0.129194 0.267974 O\n0.870806 0.889985 0.232026 O\n0.883712 0.353948 0.261065 O\n0.611046 0.631134 0.263518 O\n0.387703 0.854191 0.260087 O\n0.112297 0.354191 0.489913 O\n0.888954 0.131134 0.486482 O\n0.616288 0.853948 0.488935 O\n0.629194 0.389985 0.517974 O\n0.389985 0.629194 0.482026 O\n0.853948 0.616288 0.511065 O\n0.131134 0.888954 0.513518 O\n0.354191 0.112297 0.510087 O\n",
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{
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{
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"structure_string": "Li6 V12 O26\n1.0\n6.309978 0.000000 0.000000\n-2.538347 7.592296 0.000000\n-1.802951 -0.603161 10.200017\nLi V O\n6 12 26\ndirect\n0.989363 0.747425 0.968906 Li\n0.862997 0.215586 0.590191 Li\n0.862343 0.715730 0.587354 Li\n0.137003 0.784414 0.409809 Li\n0.137657 0.284270 0.412646 Li\n0.010637 0.252575 0.031094 Li\n0.682875 0.921670 0.000938 V\n0.683415 0.420785 0.002517 V\n0.804277 0.450901 0.365030 V\n0.804279 0.951204 0.364452 V\n0.560949 0.390246 0.637524 V\n0.560965 0.890226 0.637210 V\n0.439051 0.609754 0.362476 V\n0.439035 0.109774 0.362790 V\n0.195723 0.549099 0.634970 V\n0.195721 0.048796 0.635548 V\n0.316585 0.579215 0.997483 V\n0.317125 0.078330 0.999062 V\n0.760761 0.439437 0.198049 O\n0.758710 0.940950 0.198016 O\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.861837 0.465730 0.583751 O\n0.862078 0.965269 0.583914 O\n0.778554 0.694592 0.391303 O\n0.779414 0.194944 0.392104 O\n0.650090 0.161784 0.001739 O\n0.645931 0.662621 0.997709 O\n0.632935 0.409648 0.802747 O\n0.632853 0.907467 0.801281 O\n0.482501 0.370798 0.403192 O\n0.482176 0.870396 0.403074 O\n0.517499 0.629202 0.596808 O\n0.517824 0.129604 0.596926 O\n0.367147 0.092533 0.198719 O\n0.367065 0.590352 0.197253 O\n0.354069 0.337379 0.002291 O\n0.349910 0.838216 0.998261 O\n0.221446 0.305408 0.608697 O\n0.220586 0.805056 0.607896 O\n0.137922 0.034731 0.416086 O\n0.138163 0.534270 0.416249 O\n0.241290 0.059050 0.801984 O\n0.239239 0.560563 0.801951 O\n",
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{
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"structure_string": "K2 Li1 Nd4 Nb2 O12\n1.0\n5.785996 0.000000 0.000000\n-2.892998 6.153286 -1.640784\n0.000000 0.135832 8.859653\nK Li Nd Nb O\n2 1 4 2 12\ndirect\n0.120333 0.240668 0.480328 K\n0.879667 0.759332 0.519672 K\n0.500000 0.000000 0.500000 Li\n0.126871 0.253742 0.919994 Nd\n0.582277 0.164553 0.195761 Nd\n0.417723 0.835447 0.804239 Nd\n0.873129 0.746259 0.080006 Nd\n0.672901 0.345802 0.719243 Nb\n0.327099 0.654198 0.280757 Nb\n0.008084 0.538419 0.836662 O\n0.219034 0.900662 0.298702 O\n0.246707 0.000000 0.000000 O\n0.780966 0.099338 0.701298 O\n0.681629 0.900662 0.298702 O\n0.753293 0.000000 0.000000 O\n0.318371 0.099338 0.701298 O\n0.991916 0.461581 0.163338 O\n0.663423 0.326845 0.499396 O\n0.336577 0.673155 0.500604 O\n0.469664 0.461581 0.163338 O\n0.530336 0.538419 0.836662 O\n",
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