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{
"id": "mp-558442",
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"structure_string": "Cr6 B14 I2 O26\n1.0\n0.000000 6.170517 6.170517\n6.170517 0.000000 6.170517\n6.170517 6.170517 0.000000\nCr B I O\n6 14 2 26\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.250000 0.750000 0.750000 B\n0.420253 0.420253 0.420253 B\n0.750000 0.250000 0.750000 B\n0.920253 0.920253 0.239240 B\n0.250000 0.250000 0.750000 B\n0.239240 0.920253 0.920253 B\n0.750000 0.250000 0.250000 B\n0.250000 0.750000 0.250000 B\n0.739240 0.420253 0.420253 B\n0.750000 0.750000 0.250000 B\n0.420253 0.739240 0.420253 B\n0.420253 0.420253 0.739240 B\n0.920253 0.239240 0.920253 B\n0.920253 0.920253 0.920253 B\n0.250000 0.250000 0.250000 I\n0.750000 0.750000 0.750000 I\n0.795048 0.245738 0.564327 O\n0.245738 0.394887 0.564327 O\n0.394887 0.795048 0.564327 O\n0.500000 0.500000 0.500000 O\n0.295048 0.064327 0.745738 O\n0.064327 0.295048 0.894887 O\n0.564327 0.795048 0.245738 O\n0.000000 0.000000 0.000000 O\n0.795048 0.564327 0.394887 O\n0.795048 0.394887 0.245738 O\n0.745738 0.894887 0.295048 O\n0.745738 0.295048 0.064327 O\n0.245738 0.795048 0.394887 O\n0.894887 0.295048 0.745738 O\n0.245738 0.564327 0.795048 O\n0.295048 0.894887 0.064327 O\n0.394887 0.564327 0.245738 O\n0.394887 0.245738 0.795048 O\n0.064327 0.745738 0.295048 O\n0.295048 0.745738 0.894887 O\n0.745738 0.064327 0.894887 O\n0.564327 0.394887 0.795048 O\n0.894887 0.064327 0.295048 O\n0.564327 0.245738 0.394887 O\n0.064327 0.894887 0.745738 O\n0.894887 0.745738 0.064327 O\n",
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{
"id": "mp-977188",
"created_at": "2022-09-04T14:39:10.637312Z",
"structure_string": "Li6 Dy2\n1.0\n3.258447 -5.643796 0.000000\n3.258447 5.643796 0.000000\n0.000000 0.000000 5.094581\nLi Dy\n6 2\ndirect\n0.151013 0.302026 0.250000 Li\n0.697974 0.848987 0.250000 Li\n0.151013 0.848987 0.250000 Li\n0.848987 0.697974 0.750000 Li\n0.302026 0.151013 0.750000 Li\n0.848987 0.151013 0.750000 Li\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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},
{
"id": "mp-684894",
"created_at": "2022-09-04T14:39:27.886873Z",
"structure_string": "Ce8 Fe8 As8 O7 F1\n1.0\n-3.976110 3.976110 8.940492\n3.976110 -3.976110 8.940492\n3.976110 3.976110 -8.940492\nCe Fe As O F\n8 8 8 7 1\ndirect\n0.334656 0.074073 0.260583 Ce\n0.319518 0.569482 0.750037 Ce\n0.813490 0.074073 0.739417 Ce\n0.819445 0.569482 0.249963 Ce\n0.430518 0.680482 0.249963 Ce\n0.430518 0.180555 0.750037 Ce\n0.925927 0.665344 0.739417 Ce\n0.925927 0.186510 0.260583 Ce\n0.750466 0.750466 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.003486 0.996514 0.500000 Fe\n0.003486 0.503486 0.006972 Fe\n0.250000 0.750000 0.500000 Fe\n0.249534 0.249534 0.000000 Fe\n0.496514 0.996514 0.993028 Fe\n0.496514 0.503486 0.500000 Fe\n0.657080 0.906722 0.249642 As\n0.657080 0.407438 0.750358 As\n0.093927 0.844856 0.249071 As\n0.093278 0.342920 0.750358 As\n0.155144 0.906073 0.750929 As\n0.155144 0.404215 0.249071 As\n0.595785 0.844856 0.750929 As\n0.592562 0.342920 0.249642 As\n0.247026 0.752974 0.000000 O\n0.247026 0.247026 0.494051 O\n0.501428 0.001428 0.500000 O\n0.500000 0.500000 0.000000 O\n0.752974 0.752974 0.505949 O\n0.752974 0.247026 0.000000 O\n0.998572 0.498572 0.500000 O\n0.000000 0.000000 0.000000 F\n",
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"formula_full": "Ce8 Fe8 As8 O7 F1",
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{
"id": "mp-17612",
"created_at": "2022-09-04T14:39:33.778120Z",
"structure_string": "Ba8 Si4 O16\n1.0\n5.883738 0.000000 0.000000\n0.000000 7.601730 0.000000\n0.000000 0.000000 10.413367\nBa Si O\n8 4 16\ndirect\n0.250000 0.993494 0.305671 Ba\n0.750000 0.006506 0.694329 Ba\n0.250000 0.493494 0.194329 Ba\n0.750000 0.506506 0.805671 Ba\n0.250000 0.161394 0.918388 Ba\n0.750000 0.838606 0.081612 Ba\n0.250000 0.661394 0.581612 Ba\n0.750000 0.338606 0.418388 Ba\n0.250000 0.227279 0.579487 Si\n0.750000 0.772721 0.420513 Si\n0.250000 0.727279 0.920513 Si\n0.750000 0.272721 0.079487 Si\n0.519243 0.694540 0.350105 O\n0.019243 0.305460 0.649895 O\n0.980757 0.194540 0.149895 O\n0.480757 0.805460 0.850105 O\n0.480757 0.305460 0.649895 O\n0.980757 0.694540 0.350105 O\n0.019243 0.805460 0.850105 O\n0.519243 0.194540 0.149895 O\n0.250000 0.306943 0.430061 O\n0.750000 0.693057 0.569939 O\n0.250000 0.806943 0.069939 O\n0.750000 0.193057 0.930061 O\n0.750000 0.489208 0.082008 O\n0.250000 0.510792 0.917992 O\n0.750000 0.989208 0.417992 O\n0.250000 0.010792 0.582008 O\n",
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"formula_full": "Ba8 Si4 O16",
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"spacegroup": 62
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{
"id": "mp-1101336",
"created_at": "2022-09-04T14:39:20.462927Z",
"structure_string": "Tb16 Ce16 O64\n1.0\n10.948472 0.000000 0.000000\n0.000000 10.948472 0.000000\n0.000000 0.000000 10.948472\nTb Ce O\n16 16 64\ndirect\n0.128044 0.625713 0.124064 Tb\n0.124064 0.128044 0.625713 Tb\n0.126648 0.873352 0.373352 Tb\n0.125713 0.375936 0.871956 Tb\n0.374287 0.624064 0.371956 Tb\n0.373352 0.126648 0.873352 Tb\n0.375936 0.871956 0.125713 Tb\n0.371956 0.374287 0.624064 Tb\n0.628044 0.874287 0.875936 Tb\n0.624064 0.371956 0.374287 Tb\n0.626648 0.626648 0.626648 Tb\n0.625713 0.124064 0.128044 Tb\n0.874287 0.875936 0.628044 Tb\n0.873352 0.373352 0.126648 Tb\n0.875936 0.628044 0.874287 Tb\n0.871956 0.125713 0.375936 Tb\n0.124589 0.374450 0.374267 Ce\n0.125733 0.875411 0.874450 Ce\n0.125550 0.625733 0.624589 Ce\n0.124976 0.124976 0.124976 Ce\n0.375024 0.875024 0.624976 Ce\n0.374450 0.374267 0.124589 Ce\n0.374267 0.124589 0.374450 Ce\n0.375411 0.625550 0.874267 Ce\n0.624589 0.125550 0.625733 Ce\n0.625733 0.624589 0.125550 Ce\n0.625550 0.874267 0.375411 Ce\n0.624976 0.375024 0.875024 Ce\n0.875024 0.624976 0.375024 Ce\n0.874450 0.125733 0.875411 Ce\n0.874267 0.375411 0.625550 Ce\n0.875411 0.874450 0.125733 Ce\n0.997293 0.748626 0.249250 O\n0.000291 0.999068 0.247750 O\n0.003142 0.754030 0.999449 O\n0.000813 0.000813 0.000813 O\n0.999585 0.000415 0.500415 O\n0.999449 0.003142 0.754030 O\n0.000932 0.747750 0.499709 O\n0.994787 0.252967 0.750220 O\n0.247033 0.249780 0.494787 O\n0.249780 0.494787 0.247033 O\n0.249162 0.250838 0.749162 O\n0.249250 0.997293 0.748626 O\n0.252250 0.999709 0.499068 O\n0.254030 0.500551 0.996858 O\n0.251374 0.749250 0.502707 O\n0.251240 0.751240 0.748760 O\n0.248760 0.248760 0.248760 O\n0.248626 0.250750 0.002707 O\n0.245970 0.499449 0.496858 O\n0.247750 0.000291 0.999068 O\n0.250750 0.002707 0.248626 O\n0.250838 0.749162 0.249162 O\n0.250220 0.505213 0.747033 O\n0.252967 0.750220 0.994787 O\n0.505213 0.747033 0.250220 O\n0.499187 0.999187 0.500813 O\n0.500415 0.999585 0.000415 O\n0.500551 0.996858 0.254030 O\n0.499068 0.252250 0.999709 O\n0.496858 0.245970 0.499449 O\n0.502707 0.251374 0.749250 O\n0.499709 0.000932 0.747750 O\n0.500291 0.500932 0.752250 O\n0.497293 0.751374 0.750750 O\n0.503142 0.745970 0.000551 O\n0.499449 0.496858 0.245970 O\n0.499585 0.499585 0.499585 O\n0.500813 0.499187 0.999187 O\n0.500932 0.752250 0.500291 O\n0.494787 0.247033 0.249780 O\n0.747033 0.250220 0.505213 O\n0.749780 0.005213 0.752967 O\n0.749162 0.249162 0.250838 O\n0.749250 0.502707 0.251374 O\n0.752250 0.500291 0.500932 O\n0.754030 0.999449 0.003142 O\n0.751374 0.750750 0.497293 O\n0.751240 0.748760 0.251240 O\n0.748760 0.251240 0.751240 O\n0.748626 0.249250 0.997293 O\n0.745970 0.000551 0.503142 O\n0.747750 0.499709 0.000932 O\n0.750750 0.497293 0.751374 O\n0.750838 0.750838 0.750838 O\n0.750220 0.994787 0.252967 O\n0.752967 0.749780 0.005213 O\n0.005213 0.752967 0.749780 O\n0.999068 0.247750 0.000291 O\n0.000415 0.500415 0.999585 O\n0.000551 0.503142 0.745970 O\n0.999187 0.500813 0.499187 O\n0.996858 0.254030 0.500551 O\n0.002707 0.248626 0.250750 O\n0.999709 0.499068 0.252250 O\n",
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{
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"structure_string": "Mg14 Cr1 Fe1 O16\n1.0\n8.520667 0.000000 0.000000\n0.000000 8.520667 0.000000\n0.000000 0.000000 4.308859\nMg Cr Fe O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.248281 0.500000 Mg\n0.000000 0.751719 0.500000 Mg\n0.500000 0.248897 0.500000 Mg\n0.500000 0.751103 0.500000 Mg\n0.248281 0.000000 0.500000 Mg\n0.248897 0.500000 0.500000 Mg\n0.751719 0.000000 0.500000 Mg\n0.751103 0.500000 0.500000 Mg\n0.248033 0.248033 0.000000 Mg\n0.248033 0.751967 0.000000 Mg\n0.751967 0.248033 0.000000 Mg\n0.751967 0.751967 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Fe\n0.258797 0.000000 0.000000 O\n0.252192 0.500000 0.000000 O\n0.741203 0.000000 0.000000 O\n0.747808 0.500000 0.000000 O\n0.250388 0.250388 0.500000 O\n0.250388 0.749612 0.500000 O\n0.749612 0.250388 0.500000 O\n0.749612 0.749612 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258797 0.000000 O\n0.000000 0.741203 0.000000 O\n0.500000 0.252192 0.000000 O\n0.500000 0.747808 0.000000 O\n",
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{
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"structure_string": "Ca1 Fe8 O12\n1.0\n0.461761 5.294525 0.564498\n0.375270 0.594191 5.536097\n8.896614 0.652773 0.551842\nCa Fe O\n1 8 12\ndirect\n0.567366 0.399543 0.705941 Ca\n0.282036 0.446494 0.101142 Fe\n0.227506 0.003570 0.403664 Fe\n0.139691 0.470148 0.497746 Fe\n0.328628 0.943130 0.995414 Fe\n0.852703 0.631108 0.906957 Fe\n0.732156 0.928320 0.565689 Fe\n0.731345 0.628883 0.278325 Fe\n0.775708 0.109789 0.068962 Fe\n0.447298 0.638034 0.905334 O\n0.937056 0.156656 0.577158 O\n0.083146 0.357215 0.308343 O\n0.465088 0.934586 0.196564 O\n0.629077 0.398230 0.173523 O\n0.946310 0.810325 0.384115 O\n0.904834 0.620669 0.676704 O\n0.630445 0.069730 0.890324 O\n0.976067 0.769026 0.079191 O\n0.418803 0.164279 0.532960 O\n0.079815 0.254992 0.973385 O\n0.444922 0.665272 0.474988 O\n",
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{
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{
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{
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{
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