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{
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{
"id": "mp-756002",
"created_at": "2022-09-04T14:41:17.894464Z",
"structure_string": "Li4 Ti2 Fe4 O10\n1.0\n5.298686 0.000000 0.000000\n2.018338 4.903659 0.000000\n2.585300 0.087160 7.423256\nLi Ti Fe O\n4 2 4 10\ndirect\n0.304698 0.511635 0.402207 Li\n0.695902 0.497084 0.602949 Li\n0.612889 0.008847 0.797928 Li\n0.999607 0.997067 0.995987 Li\n0.093777 0.491879 0.801071 Ti\n0.789401 0.993854 0.410893 Ti\n0.205837 0.000478 0.607190 Fe\n0.407118 0.996655 0.189026 Fe\n0.905844 0.497263 0.200404 Fe\n0.495472 0.505887 0.002267 Fe\n0.651982 0.252922 0.210314 O\n0.576372 0.768760 0.401779 O\n0.870764 0.279598 0.799103 O\n0.039584 0.208002 0.398722 O\n0.121078 0.757534 0.216130 O\n0.759453 0.747195 0.985241 O\n0.943891 0.753510 0.599644 O\n0.252466 0.256643 0.980968 O\n0.454046 0.251700 0.597217 O\n0.319816 0.723489 0.800959 O\n",
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"spacegroup": 1
},
{
"id": "mp-1078515",
"created_at": "2022-09-04T14:41:17.895819Z",
"structure_string": "Li2 Tb2 Sn4\n1.0\n2.175570 -9.549210 0.000000\n2.175570 9.549210 0.000000\n0.000000 0.000000 4.533724\nLi Tb Sn\n2 2 4\ndirect\n0.826640 0.173360 0.250000 Li\n0.173360 0.826640 0.750000 Li\n0.606084 0.393916 0.250000 Tb\n0.393916 0.606084 0.750000 Tb\n0.956338 0.043662 0.250000 Sn\n0.043662 0.956338 0.750000 Sn\n0.247589 0.752411 0.250000 Sn\n0.752411 0.247589 0.750000 Sn\n",
"nsites": 8,
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],
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"volume": 188.3760036975902,
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"formula_full": "Li2 Tb2 Sn4",
"formula_reduced": "LiTbSn2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:17.054000Z",
"spacegroup": 63
},
{
"id": "mp-18938",
"created_at": "2022-09-04T14:41:17.899633Z",
"structure_string": "Tl4 Mo2 O8\n1.0\n3.329840 5.421584 0.000000\n-3.329840 5.421584 0.000000\n0.000000 0.131808 8.265006\nTl Mo O\n4 2 8\ndirect\n0.667774 0.650845 0.188437 Tl\n0.349155 0.332226 0.811563 Tl\n0.962286 0.037714 0.500000 Tl\n0.990582 0.009418 0.000000 Tl\n0.315735 0.365043 0.304176 Mo\n0.634957 0.684265 0.695824 Mo\n0.596620 0.238528 0.199261 O\n0.761472 0.403380 0.800739 O\n0.109864 0.285963 0.205763 O\n0.714037 0.890136 0.794237 O\n0.207458 0.680121 0.293083 O\n0.319879 0.792542 0.706917 O\n0.740027 0.640446 0.490380 O\n0.359554 0.259973 0.509620 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 6.329112319431961,
"density_atomic": 0.04691430747416444,
"volume": 298.416426752324,
"volume_molar": 12.836469478562321,
"formula_full": "Tl4 Mo2 O8",
"formula_reduced": "Tl2MoO4",
"formula_anonymous": "AB2C4",
"energy": -93.98716943,
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"updated_at": "2021-11-28T01:35:15.580000Z",
"spacegroup": 5
},
{
"id": "mp-569812",
"created_at": "2022-09-04T14:41:17.903396Z",
"structure_string": "Ba2 N6 Cl2\n1.0\n4.584026 0.000000 0.000000\n0.000000 5.652280 0.000000\n0.000000 1.604244 7.801089\nBa N Cl\n2 6 2\ndirect\n0.250000 0.682645 0.236107 Ba\n0.750000 0.317355 0.763893 Ba\n0.750000 0.359127 0.379286 N\n0.250000 0.051831 0.645839 N\n0.750000 0.152714 0.365802 N\n0.750000 0.948169 0.354161 N\n0.250000 0.847286 0.634198 N\n0.250000 0.640873 0.620714 N\n0.250000 0.237461 0.051692 Cl\n0.750000 0.762539 0.948308 Cl\n",
"nsites": 10,
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"elements": [
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"N",
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],
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"volume": 202.12776434452792,
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"formula_full": "Ba2 N6 Cl2",
"formula_reduced": "BaN3Cl",
"formula_anonymous": "ABC3",
"energy": -70.02047807000001,
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"spacegroup": 11
},
{
"id": "mp-1194839",
"created_at": "2022-09-04T14:41:17.906079Z",
"structure_string": "P24 Rh8 W16 O120\n1.0\n-0.001173 -0.000000 -9.629372\n0.000000 -13.017582 -0.000000\n-18.419193 6.508791 3.985111\nP Rh W O\n24 8 16 120\ndirect\n0.916267 0.422652 0.266323 P\n0.583733 0.156329 0.733677 P\n0.083733 0.577348 0.733677 P\n0.416267 0.843671 0.266323 P\n0.936625 0.908514 0.274176 P\n0.563375 0.634338 0.725824 P\n0.063375 0.091486 0.725824 P\n0.436625 0.365662 0.274176 P\n0.549741 0.140530 0.230116 P\n0.950259 0.910414 0.769884 P\n0.450259 0.859470 0.769884 P\n0.049741 0.089586 0.230116 P\n0.737084 0.934743 0.507953 P\n0.762916 0.426790 0.492047 P\n0.262916 0.065257 0.492047 P\n0.237084 0.573210 0.507953 P\n0.089383 0.581503 0.228747 P\n0.410617 0.352756 0.771253 P\n0.910617 0.418497 0.771253 P\n0.589383 0.647244 0.228747 P\n0.750000 0.928624 -0.000000 P\n0.250000 0.071376 -0.000000 P\n0.750000 0.431327 0.000000 P\n0.250000 0.568673 0.000000 P\n0.502666 0.257200 0.489827 Rh\n0.997334 0.767373 0.510173 Rh\n0.497334 0.742800 0.510173 Rh\n0.002666 0.232627 0.489827 Rh\n0.496801 0.245664 0.989045 Rh\n0.003199 0.256619 0.010955 Rh\n0.503199 0.754336 0.010955 Rh\n0.996801 0.743381 0.989045 Rh\n0.798529 0.195773 0.618633 W\n0.701471 0.577140 0.381367 W\n0.201471 0.804227 0.381367 W\n0.298529 0.422860 0.618633 W\n0.785276 0.187655 0.123546 W\n0.714724 0.064109 0.876454 W\n0.214724 0.812345 0.876454 W\n0.285276 0.935891 0.123546 W\n0.817331 0.685788 0.122947 W\n0.682669 0.562841 0.877053 W\n0.182669 0.314212 0.877053 W\n0.317331 0.437159 0.122947 W\n0.193437 0.323012 0.371781 W\n0.306563 0.951231 0.628219 W\n0.806563 0.676988 0.628219 W\n0.693437 0.048769 0.371781 W\n0.883452 0.900478 0.534773 O\n0.616548 0.365705 0.465227 O\n0.116548 0.099522 0.465227 O\n0.383452 0.634295 0.534773 O\n0.504263 0.255048 0.277821 O\n0.995737 0.977227 0.722179 O\n0.495737 0.744952 0.722179 O\n0.004263 0.022773 0.277821 O\n0.613809 0.356892 0.967899 O\n0.886191 0.388993 0.032101 O\n0.386191 0.643108 0.032101 O\n0.113809 0.611007 0.967899 O\n0.120135 0.654519 0.309029 O\n0.379865 0.345490 0.690971 O\n0.879865 0.345481 0.690971 O\n0.620135 0.654510 0.309029 O\n0.001727 0.473355 0.222488 O\n0.498273 0.250866 0.777512 O\n0.998273 0.526645 0.777512 O\n0.501727 0.749134 0.222488 O\n0.718839 0.043202 0.569965 O\n0.781161 0.473237 0.430035 O\n0.281161 0.956798 0.430035 O\n0.218839 0.526763 0.569965 O\n0.022329 0.380631 0.316261 O\n0.477671 0.064370 0.683739 O\n0.977671 0.619369 0.683739 O\n0.522329 0.935630 0.316261 O\n0.764690 0.471626 0.934903 O\n0.735310 0.536723 0.065097 O\n0.235310 0.528374 0.065097 O\n0.264690 0.463277 0.934903 O\n0.894751 0.835087 0.194391 O\n0.605249 0.640696 0.805609 O\n0.105249 0.164913 0.805609 O\n0.394751 0.359304 0.194391 O\n0.888536 0.879985 0.021133 O\n0.611464 0.858852 0.978867 O\n0.111464 0.120015 0.978867 O\n0.388536 0.141148 0.021133 O\n0.819176 0.330746 0.205980 O\n0.680824 0.124766 0.794020 O\n0.180824 0.669254 0.794020 O\n0.319176 0.875234 0.205980 O\n0.807089 0.931610 0.307888 O\n0.692911 0.623722 0.692112 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"updated_at": "2021-11-28T01:35:14.909000Z",
"spacegroup": 15
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{
"id": "mp-1233783",
"created_at": "2022-09-04T14:41:17.908796Z",
"structure_string": "Tb4 Mg1 Al2 Fe2 O12\n1.0\n5.388809 -0.344409 0.260171\n-0.145208 5.860942 -0.211065\n0.298232 -0.352845 8.203015\nTb Mg Al Fe O\n4 1 2 2 12\ndirect\n0.569749 0.564244 0.254914 Tb\n0.976898 0.074208 0.220753 Tb\n0.447726 0.071458 0.470905 Tb\n0.000600 0.933993 0.785254 Tb\n0.489715 0.319844 0.857049 Mg\n0.033400 0.443955 0.543039 Al\n0.472359 0.909841 0.004004 Al\n0.985891 0.492060 0.951358 Fe\n0.527205 0.675236 0.657910 Fe\n0.350260 0.886298 0.223665 O\n0.244305 0.341454 0.356284 O\n0.603088 0.003055 0.776478 O\n0.809226 0.527208 0.729930 O\n0.782420 0.801979 0.039145 O\n0.767839 0.336113 0.419868 O\n0.187524 0.250850 0.667517 O\n0.328560 0.632914 0.913731 O\n0.228943 0.113752 0.983279 O\n0.213983 0.731232 0.570774 O\n0.756823 0.835951 0.414253 O\n0.723485 0.292449 0.061677 O\n",
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},
{
"id": "mp-1220962",
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"structure_string": "Na1 V5 Mo1 O15\n1.0\n0.000000 -3.744484 0.000000\n-7.545301 -1.872242 2.571491\n0.057041 0.000000 -10.291635\nNa V Mo O\n1 5 1 15\ndirect\n0.995518 0.008965 0.396778 Na\n0.714004 0.571991 0.412586 V\n0.287100 0.425800 0.589933 V\n0.667199 0.665601 0.102236 V\n0.334820 0.330361 0.905921 V\n0.875089 0.249823 0.126577 V\n0.113750 0.772499 0.888789 Mo\n0.760215 0.479571 0.572777 O\n0.240271 0.519458 0.434121 O\n0.739837 0.520325 0.227602 O\n0.262108 0.475784 0.775028 O\n0.811566 0.376867 0.948620 O\n0.185848 0.628304 0.039591 O\n0.568590 0.862819 0.222803 O\n0.428650 0.142701 0.782983 O\n0.000015 0.999970 0.995300 O\n0.892793 0.214415 0.275969 O\n0.110326 0.779349 0.723036 O\n0.606317 0.787366 0.465169 O\n0.395214 0.209571 0.527487 O\n0.366777 0.266447 0.068020 O\n0.634993 0.730014 0.920674 O\n",
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{
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