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{
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{
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{
"id": "mp-7293",
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"structure_string": "Hg4 P4 Se12\n1.0\n5.826199 3.350066 0.000000\n-5.826199 3.350066 0.000000\n0.000000 2.093460 15.045103\nHg P Se\n4 4 12\ndirect\n0.423179 0.227854 0.437323 Hg\n0.772146 0.576821 0.062677 Hg\n0.576821 0.772146 0.562677 Hg\n0.227854 0.423179 0.937323 Hg\n0.474968 0.938593 0.075803 P\n0.061407 0.525032 0.424197 P\n0.525032 0.061407 0.924197 P\n0.938593 0.474968 0.575803 P\n0.573160 0.178782 0.601537 Se\n0.821218 0.426840 0.898463 Se\n0.426840 0.821218 0.398463 Se\n0.178782 0.573160 0.101537 Se\n0.959561 0.799573 0.611333 Se\n0.200427 0.040439 0.888667 Se\n0.040439 0.200427 0.388667 Se\n0.799573 0.959561 0.111333 Se\n0.597087 0.827907 0.852946 Se\n0.172093 0.402913 0.647054 Se\n0.402913 0.172093 0.147054 Se\n0.827907 0.597087 0.352946 Se\n",
"nsites": 20,
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"density": 5.297887237658307,
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"volume": 587.3051897192848,
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"updated_at": "2021-11-28T01:34:41.336000Z",
"spacegroup": 15
},
{
"id": "mp-1217933",
"created_at": "2022-09-04T14:39:44.368889Z",
"structure_string": "Ta1 Nb1 C1 N1\n1.0\n5.271553 -1.582452 0.000000\n5.271553 1.582452 0.000000\n4.796521 0.000000 2.699410\nTa Nb C N\n1 1 1 1\ndirect\n0.744098 0.744098 0.744098 Ta\n0.257549 0.257549 0.257549 Nb\n0.002283 0.002283 0.002283 C\n0.496069 0.496069 0.496069 N\n",
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"spacegroup": 160
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{
"id": "mp-560352",
"created_at": "2022-09-04T14:39:44.207039Z",
"structure_string": "Sr2 P4 Xe6 F36\n1.0\n6.129782 6.297154 0.000000\n-6.129782 6.297154 0.000000\n0.000000 1.706543 11.052612\nSr P Xe F\n2 4 6 36\ndirect\n0.715360 0.715360 0.774080 Sr\n0.284640 0.284640 0.225920 Sr\n0.200435 0.200435 0.906608 P\n0.799565 0.799565 0.093392 P\n0.000000 0.500000 0.500000 P\n0.500000 0.000000 0.500000 P\n0.792771 0.318469 0.165467 Xe\n0.681531 0.207229 0.834533 Xe\n0.207229 0.681531 0.834533 Xe\n0.000000 0.000000 0.500000 Xe\n0.500000 0.500000 0.500000 Xe\n0.318469 0.792771 0.165467 Xe\n0.370589 0.991621 0.615230 F\n0.897185 0.897185 0.171590 F\n0.334960 0.068871 0.909540 F\n0.601847 0.862020 0.572350 F\n0.102815 0.102815 0.828410 F\n0.409249 0.870153 0.442796 F\n0.709445 0.709445 0.214294 F\n0.697415 0.697415 0.008886 F\n0.015916 0.363550 0.189630 F\n0.117036 0.117036 0.035001 F\n0.636450 0.984084 0.810370 F\n0.991621 0.370589 0.615230 F\n0.567159 0.278313 0.136523 F\n0.665040 0.931129 0.090460 F\n0.278313 0.567159 0.136523 F\n0.302585 0.302585 0.991114 F\n0.984084 0.636450 0.810370 F\n0.290555 0.290555 0.785706 F\n0.432841 0.721687 0.863477 F\n0.590751 0.129847 0.557204 F\n0.721687 0.432841 0.863477 F\n0.912935 0.912935 0.673006 F\n0.870153 0.409249 0.442796 F\n0.540600 0.540600 0.673594 F\n0.882964 0.882964 0.964999 F\n0.068871 0.334960 0.909540 F\n0.137980 0.398153 0.427650 F\n0.398153 0.137980 0.427650 F\n0.087065 0.087065 0.326994 F\n0.862020 0.601847 0.572350 F\n0.459400 0.459400 0.326406 F\n0.629411 0.008379 0.384770 F\n0.129847 0.590751 0.557204 F\n0.008379 0.629411 0.384770 F\n0.363550 0.015916 0.189630 F\n0.931129 0.665040 0.090460 F\n",
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"elements": [
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"chemical_system": "F-P-Sr-Xe",
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"formula_full": "Sr2 P4 Xe6 F36",
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"spacegroup": 12
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{
"id": "mp-1185112",
"created_at": "2022-09-04T14:39:44.215803Z",
"structure_string": "La3 Pm1\n1.0\n-2.632585 2.632585 5.279452\n2.632585 -2.632585 5.279452\n2.632585 2.632585 -5.279452\nLa Pm\n3 1\ndirect\n0.500000 0.500000 0.000000 La\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.000000 0.000000 0.000000 Pm\n",
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{
"id": "mp-706449",
"created_at": "2022-09-04T14:39:44.219223Z",
"structure_string": "P8 H24 N8 O20\n1.0\n5.176935 0.000000 0.000000\n0.000000 8.578075 0.000000\n0.000000 0.141083 16.753094\nP H N O\n8 24 8 20\ndirect\n0.208571 0.614392 0.142610 P\n0.208571 0.385608 0.857390 P\n0.790771 0.889322 0.643746 P\n0.790771 0.110678 0.356254 P\n0.001406 0.285894 0.096156 P\n0.001406 0.714106 0.903844 P\n0.994695 0.219653 0.598221 P\n0.994695 0.780347 0.401779 P\n0.726901 0.726732 0.890643 H\n0.726901 0.273268 0.109357 H\n0.270324 0.768021 0.389898 H\n0.270324 0.231979 0.610102 H\n0.806145 0.534332 0.107906 H\n0.806145 0.465668 0.892094 H\n0.189434 0.969883 0.603254 H\n0.189434 0.030117 0.396746 H\n0.043127 0.228882 0.227958 H\n0.043127 0.771118 0.772042 H\n0.959863 0.268246 0.730914 H\n0.959863 0.731754 0.269086 H\n0.172718 0.381844 0.343761 H\n0.172718 0.618156 0.656239 H\n0.825921 0.117039 0.845437 H\n0.825921 0.882961 0.154563 H\n0.375008 0.493424 0.255289 H\n0.375008 0.506576 0.744711 H\n0.625948 0.007001 0.756863 H\n0.625948 0.992999 0.243137 H\n0.392752 0.499593 0.377665 H\n0.392752 0.500407 0.622335 H\n0.613892 0.994218 0.879426 H\n0.613892 0.005782 0.120574 H\n0.427885 0.647334 0.059711 N\n0.427885 0.352666 0.940289 N\n0.574647 0.859939 0.559977 N\n0.574647 0.140061 0.440023 N\n0.987698 0.486769 0.113869 N\n0.987698 0.513231 0.886131 N\n0.010308 0.017660 0.613654 N\n0.010308 0.982340 0.386346 N\n0.077855 0.757668 0.174421 O\n0.077855 0.242332 0.825579 O\n0.921822 0.745186 0.675699 O\n0.921822 0.254814 0.324301 O\n0.412187 0.530456 0.195258 O\n0.412187 0.469544 0.804742 O\n0.589389 0.972245 0.696821 O\n0.589389 0.027755 0.303179 O\n0.124864 0.206243 0.175027 O\n0.124864 0.793757 0.824973 O\n0.874524 0.292880 0.678412 O\n0.874524 0.707120 0.321588 O\n0.387514 0.233566 0.980919 O\n0.387514 0.766434 0.019081 O\n0.613058 0.261424 0.479049 O\n0.613058 0.738576 0.520951 O\n0.340937 0.434719 0.333277 O\n0.340937 0.565281 0.666723 O\n0.658364 0.063506 0.835391 O\n0.658364 0.936494 0.164609 O\n",
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{
"id": "mp-972235",
"created_at": "2022-09-04T14:39:44.222388Z",
"structure_string": "Tb6 Fe2 B14\n1.0\n1.718483 -7.886735 0.000000\n1.718483 7.886735 0.000000\n0.000000 0.000000 9.347754\nTb Fe B\n6 2 14\ndirect\n0.895299 0.104701 0.060244 Tb\n0.104701 0.895299 0.560244 Tb\n0.104701 0.895299 0.939756 Tb\n0.895299 0.104701 0.439756 Tb\n0.243040 0.756960 0.250000 Tb\n0.756960 0.243040 0.750000 Tb\n0.054844 0.945156 0.250000 Fe\n0.945156 0.054844 0.750000 Fe\n0.461035 0.538965 0.250000 B\n0.538965 0.461035 0.750000 B\n0.727453 0.272547 0.032530 B\n0.272547 0.727453 0.532530 B\n0.272547 0.727453 0.967470 B\n0.727453 0.272547 0.467470 B\n0.629900 0.370100 0.346722 B\n0.370100 0.629900 0.846722 B\n0.370100 0.629900 0.653278 B\n0.629900 0.370100 0.153278 B\n0.522338 0.477662 0.400486 B\n0.477662 0.522338 0.900486 B\n0.477662 0.522338 0.599514 B\n0.522338 0.477662 0.099514 B\n",
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{
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