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{
"id": "mp-2457",
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{
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{
"id": "mp-1223133",
"created_at": "2022-09-04T14:47:22.434062Z",
"structure_string": "La3 Pr1 Mn4 O12\n1.0\n7.949718 0.000000 0.000000\n0.000000 5.612253 0.000000\n0.000000 0.002581 5.629562\nLa Pr Mn O\n3 1 4 12\ndirect\n0.000000 0.008600 0.966986 La\n0.500000 0.508073 0.531597 La\n0.500000 0.990587 0.032276 La\n0.000000 0.488627 0.461480 Pr\n0.249176 0.999760 0.500515 Mn\n0.750430 0.500271 0.999297 Mn\n0.750824 0.999760 0.500515 Mn\n0.249570 0.500271 0.999297 Mn\n0.000000 0.583383 0.016707 O\n0.000000 0.912446 0.513701 O\n0.500000 0.415821 0.986809 O\n0.500000 0.083008 0.486834 O\n0.203015 0.225008 0.218219 O\n0.796922 0.279163 0.715262 O\n0.704742 0.778335 0.784806 O\n0.294304 0.722192 0.283706 O\n0.295258 0.778335 0.784806 O\n0.705696 0.722192 0.283706 O\n0.796985 0.225008 0.218219 O\n0.203078 0.279163 0.715262 O\n",
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"formula_full": "La3 Pr1 Mn4 O12",
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{
"id": "mp-753565",
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"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.874834 0.000000 0.000000\n-0.104448 5.903803 0.000000\n-2.856721 -2.975821 4.225533\nLi Ti V O\n1 4 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.224242 0.229267 0.015651 O\n0.300000 0.762296 0.488004 O\n0.251977 0.250990 0.500568 O\n0.245338 0.744954 0.003549 O\n0.754662 0.255046 0.996451 O\n0.748023 0.749010 0.499432 O\n0.700000 0.237704 0.511996 O\n0.775758 0.770733 0.984349 O\n",
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{
"id": "mp-622345",
"created_at": "2022-09-04T14:44:43.756237Z",
"structure_string": "U10 Ge6\n1.0\n4.277615 -7.409046 0.000000\n4.277615 7.409046 0.000000\n0.000000 0.000000 5.465291\nU Ge\n10 6\ndirect\n0.000000 0.233769 0.250000 U\n0.233769 0.000000 0.250000 U\n0.333333 0.666667 0.000000 U\n0.766231 0.766231 0.250000 U\n0.233769 0.233769 0.750000 U\n0.666667 0.333333 0.000000 U\n0.766231 0.000000 0.750000 U\n0.000000 0.766231 0.750000 U\n0.333333 0.666667 0.500000 U\n0.666667 0.333333 0.500000 U\n0.392844 0.000000 0.750000 Ge\n0.392844 0.392844 0.250000 Ge\n0.000000 0.607156 0.250000 Ge\n0.607156 0.000000 0.250000 Ge\n0.607156 0.607156 0.750000 Ge\n0.000000 0.392844 0.750000 Ge\n",
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"density": 13.4987758544832,
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"formula_full": "U10 Ge6",
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{
"id": "mp-1042152",
"created_at": "2022-09-04T14:42:12.292490Z",
"structure_string": "Y2 Sn2 W4 O16\n1.0\n5.709390 0.000000 0.000000\n0.000000 5.360391 0.000000\n0.000000 4.170882 10.332682\nY Sn W O\n2 2 4 16\ndirect\n0.728527 0.000000 0.250000 Y\n0.271473 0.000000 0.750000 Y\n0.321963 0.500000 0.250000 Sn\n0.678037 0.500000 0.750000 Sn\n0.172268 0.247838 0.001966 W\n0.172268 0.752162 0.498034 W\n0.827732 0.752162 0.998034 W\n0.827732 0.247838 0.501966 W\n0.393388 0.740858 0.369938 O\n0.393388 0.259142 0.130062 O\n0.606612 0.259142 0.630062 O\n0.606612 0.740858 0.869938 O\n0.929254 0.119375 0.885972 O\n0.929254 0.880625 0.614028 O\n0.070746 0.880625 0.114028 O\n0.070746 0.119375 0.385972 O\n0.609964 0.242902 0.368837 O\n0.609964 0.757098 0.131163 O\n0.390036 0.757098 0.631163 O\n0.390036 0.242902 0.868837 O\n0.902446 0.634510 0.398864 O\n0.097554 0.365490 0.601136 O\n0.902446 0.365490 0.101136 O\n0.097554 0.634510 0.898864 O\n",
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{
"id": "mp-1232233",
"created_at": "2022-09-04T14:40:59.492365Z",
"structure_string": "Gd16 Mg8 S32\n1.0\n12.817952 0.000000 0.000000\n0.000000 7.709150 0.000000\n0.000000 0.000000 12.931594\nGd Mg S\n16 8 32\ndirect\n0.108617 0.886126 0.685263 Gd\n0.891383 0.113874 0.185263 Gd\n0.391383 0.886126 0.185263 Gd\n0.608617 0.113874 0.685263 Gd\n0.126388 0.384548 0.325960 Gd\n0.873612 0.615452 0.825960 Gd\n0.373612 0.384548 0.825960 Gd\n0.626388 0.615452 0.325960 Gd\n0.134912 0.631636 0.993440 Gd\n0.865088 0.368364 0.493440 Gd\n0.365088 0.631636 0.493440 Gd\n0.634912 0.368364 0.993440 Gd\n0.135456 0.130674 0.992669 Gd\n0.864544 0.869326 0.492669 Gd\n0.364544 0.130674 0.492669 Gd\n0.635456 0.869326 0.992669 Gd\n0.111549 0.384303 0.692401 Mg\n0.888451 0.615697 0.192401 Mg\n0.388451 0.384303 0.192401 Mg\n0.611549 0.615697 0.692401 Mg\n0.125718 0.880269 0.321128 Mg\n0.874282 0.119731 0.821128 Mg\n0.374282 0.880269 0.821128 Mg\n0.625718 0.119731 0.321128 Mg\n0.011314 0.880217 0.878319 S\n0.988686 0.119783 0.378319 S\n0.488686 0.880217 0.378319 S\n0.511314 0.119783 0.878319 S\n0.028738 0.381696 0.130745 S\n0.971262 0.618304 0.630745 S\n0.471262 0.381696 0.630745 S\n0.528738 0.618304 0.130745 S\n0.024352 0.375333 0.869270 S\n0.975648 0.624667 0.369270 S\n0.475648 0.375333 0.369270 S\n0.524352 0.624667 0.869270 S\n0.046229 0.876303 0.138515 S\n0.953771 0.123697 0.638515 S\n0.453771 0.876303 0.638515 S\n0.546229 0.123697 0.138515 S\n0.210052 0.881914 0.499428 S\n0.789948 0.118086 0.999428 S\n0.289948 0.881914 0.999428 S\n0.710052 0.118086 0.499428 S\n0.211262 0.381744 0.520567 S\n0.788738 0.618256 0.020567 S\n0.288738 0.381744 0.020567 S\n0.711262 0.618256 0.520567 S\n0.232067 0.136388 0.772822 S\n0.767933 0.863612 0.272822 S\n0.267933 0.136388 0.272822 S\n0.732067 0.863612 0.772822 S\n0.234892 0.637929 0.776473 S\n0.765108 0.362071 0.276473 S\n0.265108 0.637929 0.276473 S\n0.734892 0.362071 0.776473 S\n",
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{
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"structure_string": "Th8 C12\n1.0\n-4.280833 4.280833 4.280833\n4.280833 -4.280833 4.280833\n4.280833 4.280833 -4.280833\nTh C\n8 12\ndirect\n0.596940 0.500000 0.000000 Th\n0.500000 0.000000 0.596940 Th\n0.000000 0.596940 0.500000 Th\n0.903060 0.903060 0.903060 Th\n0.500000 0.000000 0.096940 Th\n0.096940 0.500000 0.000000 Th\n0.000000 0.096940 0.500000 Th\n0.403060 0.403060 0.403060 Th\n0.792532 0.250000 0.042532 C\n0.707468 0.750000 0.457468 C\n0.542532 0.750000 0.292532 C\n0.957468 0.250000 0.207468 C\n0.250000 0.042532 0.792532 C\n0.750000 0.457468 0.707468 C\n0.750000 0.292532 0.542532 C\n0.250000 0.207468 0.957468 C\n0.042532 0.792532 0.250000 C\n0.457468 0.707468 0.750000 C\n0.292532 0.542532 0.750000 C\n0.207468 0.957468 0.250000 C\n",
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{
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"structure_string": "Ti1 Mn1 V1\n1.0\n-1.484676 -1.577627 1.577627\n-1.484676 1.577627 -1.577627\n1.484676 -4.334723 -4.334723\nTi Mn V\n1 1 1\ndirect\n0.991439 0.991439 0.982878 Ti\n0.327556 0.327556 0.655114 Mn\n0.681005 0.681005 0.362008 V\n",
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{
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"structure_string": "Ta6 Si12 N22\n1.0\n9.699488 0.000000 0.000000\n0.000000 9.699488 0.000000\n0.000000 0.000000 4.815769\nTa Si N\n6 12 22\ndirect\n0.326340 0.826340 0.945556 Ta\n0.673660 0.173660 0.945556 Ta\n0.173660 0.326340 0.945556 Ta\n0.826340 0.673660 0.945556 Ta\n0.500000 0.500000 0.004337 Ta\n0.000000 0.000000 0.004337 Ta\n0.404028 0.314064 0.527957 Si\n0.595972 0.685936 0.527957 Si\n0.095972 0.814064 0.527957 Si\n0.904028 0.185936 0.527957 Si\n0.314064 0.595972 0.527957 Si\n0.685936 0.404028 0.527957 Si\n0.814064 0.904028 0.527957 Si\n0.185936 0.095972 0.527957 Si\n0.872481 0.372481 0.028231 Si\n0.127519 0.627519 0.028231 Si\n0.627519 0.872481 0.028231 Si\n0.372481 0.127519 0.028231 Si\n0.312888 0.441292 0.699564 N\n0.687112 0.558708 0.699564 N\n0.187112 0.941292 0.699564 N\n0.812888 0.058708 0.699564 N\n0.441292 0.687112 0.699564 N\n0.558708 0.312888 0.699564 N\n0.941292 0.812888 0.699564 N\n0.058708 0.187112 0.699564 N\n0.392161 0.300180 0.172790 N\n0.607839 0.699820 0.172790 N\n0.107839 0.800180 0.172790 N\n0.892161 0.199820 0.172790 N\n0.300180 0.607839 0.172790 N\n0.699820 0.392161 0.172790 N\n0.800180 0.892161 0.172790 N\n0.199820 0.107839 0.172790 N\n0.823335 0.323335 0.694497 N\n0.176665 0.676665 0.694497 N\n0.676665 0.823335 0.694497 N\n0.323335 0.176665 0.694497 N\n0.500000 0.000000 0.026394 N\n0.000000 0.500000 0.026394 N\n",
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