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{
"id": "mp-1198715",
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"structure_string": "Er42 Rh28\n1.0\n-5.568992 5.568992 12.523257\n5.568992 -5.568992 12.523257\n5.568992 5.568992 -12.523257\nEr Rh\n42 28\ndirect\n0.632126 0.504212 0.279131 Er\n0.225081 0.352995 0.720869 Er\n0.132126 0.852995 0.127913 Er\n0.725081 0.004212 0.872087 Er\n0.352995 0.632126 0.127913 Er\n0.504212 0.225081 0.872087 Er\n0.004212 0.132126 0.279131 Er\n0.852995 0.725081 0.720869 Er\n0.367874 0.495788 0.720869 Er\n0.774919 0.647005 0.279131 Er\n0.867874 0.147005 0.872087 Er\n0.274919 0.995788 0.127913 Er\n0.647005 0.367874 0.872087 Er\n0.495788 0.774919 0.127913 Er\n0.995788 0.867874 0.720869 Er\n0.147005 0.274919 0.279131 Er\n0.386273 0.516946 0.290152 Er\n0.226794 0.096121 0.709848 Er\n0.886273 0.596121 0.869327 Er\n0.726794 0.016946 0.130673 Er\n0.096121 0.386273 0.869327 Er\n0.516946 0.226794 0.130673 Er\n0.016946 0.886273 0.290152 Er\n0.596121 0.726794 0.709848 Er\n0.613727 0.483054 0.709848 Er\n0.773206 0.903879 0.290152 Er\n0.113727 0.403879 0.130673 Er\n0.273206 0.983054 0.869327 Er\n0.903879 0.613727 0.130673 Er\n0.483054 0.773206 0.869327 Er\n0.983054 0.113727 0.709848 Er\n0.403879 0.273206 0.290152 Er\n0.849622 0.349622 0.199244 Er\n0.150378 0.650378 0.800756 Er\n0.349622 0.150378 0.500000 Er\n0.650378 0.849622 0.500000 Er\n0.388071 0.888071 0.500000 Er\n0.888071 0.388071 0.500000 Er\n0.611929 0.111929 0.500000 Er\n0.111929 0.611929 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Er\n0.714728 0.214728 0.142079 Rh\n0.072649 0.572649 0.857921 Rh\n0.214728 0.072649 0.500000 Rh\n0.572649 0.714728 0.500000 Rh\n0.285272 0.785272 0.857921 Rh\n0.927351 0.427351 0.142079 Rh\n0.785272 0.927351 0.500000 Rh\n0.427351 0.285272 0.500000 Rh\n0.465865 0.965865 0.808417 Rh\n0.157448 0.657448 0.191583 Rh\n0.965865 0.157448 0.500000 Rh\n0.657448 0.465865 0.500000 Rh\n0.534135 0.034135 0.191583 Rh\n0.842552 0.342552 0.808417 Rh\n0.034135 0.842552 0.500000 Rh\n0.342552 0.534135 0.500000 Rh\n0.596746 0.096746 0.693493 Rh\n0.403254 0.903254 0.306507 Rh\n0.096746 0.403254 0.500000 Rh\n0.903254 0.596746 0.500000 Rh\n0.366456 0.366456 0.000000 Rh\n0.866456 0.866456 0.000000 Rh\n0.633544 0.633544 0.000000 Rh\n0.133544 0.133544 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.750000 0.750000 0.000000 Rh\n",
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"spacegroup": 140
},
{
"id": "mp-27929",
"created_at": "2022-09-04T14:39:13.853820Z",
"structure_string": "La2 Cl2\n1.0\n10.905390 -2.041523 0.000000\n10.905390 2.041523 0.000000\n10.523211 0.000000 3.515307\nLa Cl\n2 2\ndirect\n0.787383 0.787383 0.787383 La\n0.212617 0.212617 0.212617 La\n0.599210 0.599210 0.599210 Cl\n0.400790 0.400790 0.400790 Cl\n",
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{
"id": "mp-557180",
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"structure_string": "Ca2 As4 Xe8 F40\n1.0\n15.643534 0.000000 0.000000\n0.000000 8.558441 0.000000\n0.000000 3.263873 8.209656\nCa As Xe F\n2 4 8 40\ndirect\n0.159782 0.635043 0.408022 Ca\n0.659782 0.364957 0.591978 Ca\n0.491352 0.198388 0.325735 As\n0.730411 0.716280 0.156065 As\n0.991352 0.801612 0.674265 As\n0.230411 0.283720 0.843935 As\n0.987446 0.968783 0.085888 Xe\n0.752304 0.242333 0.091562 Xe\n0.706328 0.840049 0.632501 Xe\n0.487446 0.031217 0.914112 Xe\n0.935760 0.358846 0.527030 Xe\n0.206328 0.159951 0.367499 Xe\n0.252304 0.757667 0.908438 Xe\n0.435760 0.641154 0.472970 Xe\n0.077151 0.937606 0.673399 F\n0.744002 0.904230 0.984552 F\n0.677380 0.077111 0.635876 F\n0.230758 0.399404 0.363010 F\n0.291366 0.200689 0.721958 F\n0.323896 0.371763 0.890894 F\n0.561693 0.591465 0.558339 F\n0.061693 0.408535 0.441661 F\n0.686546 0.282787 0.871725 F\n0.716915 0.521843 0.333883 F\n0.791366 0.799311 0.278042 F\n0.668976 0.627961 0.039876 F\n0.177380 0.922889 0.364124 F\n0.577151 0.062394 0.326601 F\n0.823896 0.628237 0.109106 F\n0.812487 0.302722 0.615941 F\n0.136400 0.205673 0.786641 F\n0.970770 0.928877 0.468210 F\n0.636400 0.794327 0.213359 F\n0.016299 0.675181 0.876685 F\n0.470770 0.071123 0.531790 F\n0.065434 0.676462 0.604956 F\n0.730758 0.600596 0.636990 F\n0.516299 0.324819 0.123315 F\n0.418981 0.076704 0.261005 F\n0.244002 0.095770 0.015448 F\n0.408782 0.337040 0.330186 F\n0.313983 0.803634 0.691784 F\n0.441215 0.809898 0.078968 F\n0.186546 0.717213 0.128275 F\n0.312487 0.697278 0.384059 F\n0.216915 0.478157 0.666117 F\n0.031972 0.741319 0.262212 F\n0.531972 0.258681 0.737788 F\n0.941215 0.190102 0.921032 F\n0.168976 0.372039 0.960124 F\n0.813983 0.196366 0.308216 F\n0.918981 0.923296 0.738995 F\n0.908782 0.662960 0.669814 F\n0.565434 0.323538 0.395044 F\n",
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"formula_full": "Ca2 As4 Xe8 F40",
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{
"id": "mp-583593",
"created_at": "2022-09-04T14:39:10.164222Z",
"structure_string": "Yb8 P24 O72\n1.0\n7.519157 -10.836814 0.000000\n7.519157 10.836814 0.000000\n-8.099155 0.000000 10.410472\nYb P O\n8 24 72\ndirect\n0.538000 0.019296 0.731639 Yb\n0.462000 0.980704 0.268361 Yb\n0.019296 0.731639 0.538000 Yb\n0.980704 0.268361 0.462000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.268361 0.462000 0.980704 Yb\n0.731639 0.538000 0.019296 Yb\n0.982290 0.700131 0.799476 P\n0.735548 0.481254 0.730318 P\n0.269682 0.264452 0.518746 P\n0.767785 0.288217 0.071864 P\n0.481254 0.730318 0.735548 P\n0.789453 0.376975 0.326643 P\n0.288217 0.071864 0.767785 P\n0.928136 0.232215 0.711783 P\n0.299869 0.200524 0.017710 P\n0.326643 0.789453 0.376975 P\n0.200524 0.017710 0.299869 P\n0.799476 0.982290 0.700131 P\n0.264452 0.518746 0.269682 P\n0.071864 0.767785 0.288217 P\n0.376975 0.326643 0.789453 P\n0.700131 0.799476 0.982290 P\n0.017710 0.299869 0.200524 P\n0.210547 0.623025 0.673357 P\n0.673357 0.210547 0.623025 P\n0.623025 0.673357 0.210547 P\n0.232215 0.711783 0.928136 P\n0.711783 0.928136 0.232215 P\n0.518746 0.269682 0.264452 P\n0.730318 0.735548 0.481254 P\n0.698042 0.000819 0.713002 O\n0.713002 0.698042 0.000819 O\n0.910707 0.319676 0.118734 O\n0.319253 0.402136 0.826540 O\n0.826540 0.319253 0.402136 O\n0.280387 0.181137 0.744118 O\n0.255882 0.719613 0.818863 O\n0.602104 0.935616 0.234948 O\n0.234948 0.602104 0.935616 O\n0.049106 0.324786 0.842516 O\n0.324786 0.842516 0.049106 O\n0.558763 0.729409 0.859901 O\n0.112508 0.486845 0.620783 O\n0.842516 0.049106 0.324786 O\n0.597864 0.173460 0.680747 O\n0.173460 0.680747 0.597864 O\n0.620783 0.112508 0.486845 O\n0.999181 0.286998 0.301958 O\n0.089293 0.680324 0.881266 O\n0.270591 0.140099 0.441237 O\n0.672085 0.636286 0.508064 O\n0.197623 0.109845 0.022747 O\n0.141082 0.228073 0.501287 O\n0.771927 0.498713 0.858918 O\n0.508064 0.672085 0.636286 O\n0.301958 0.999181 0.286998 O\n0.890155 0.977253 0.802377 O\n0.498713 0.858918 0.771927 O\n0.064384 0.765052 0.397896 O\n0.729409 0.859901 0.558763 O\n0.402136 0.826540 0.319253 O\n0.338420 0.626994 0.690433 O\n0.636286 0.508064 0.672085 O\n0.022747 0.197623 0.109845 O\n0.881266 0.089293 0.680324 O\n0.181137 0.744118 0.280387 O\n0.887492 0.513155 0.379217 O\n0.157484 0.950894 0.675214 O\n0.140099 0.441237 0.270591 O\n0.719613 0.818863 0.255882 O\n0.286998 0.301958 0.999181 O\n0.950894 0.675214 0.157484 O\n0.309567 0.661580 0.373006 O\n0.397896 0.064384 0.765052 O\n0.109845 0.022747 0.197623 O\n0.319676 0.118734 0.910707 O\n0.626994 0.690433 0.338420 O\n0.744118 0.280387 0.181137 O\n0.765052 0.397896 0.064384 O\n0.858918 0.771927 0.498713 O\n0.661580 0.373006 0.309567 O\n0.379217 0.887492 0.513155 O\n0.118734 0.910707 0.319676 O\n0.680324 0.881266 0.089293 O\n0.802377 0.890155 0.977253 O\n0.859901 0.558763 0.729409 O\n0.441237 0.270591 0.140099 O\n0.501287 0.141082 0.228073 O\n0.513155 0.379217 0.887492 O\n0.680747 0.597864 0.173460 O\n0.228073 0.501287 0.141082 O\n0.977253 0.802377 0.890155 O\n0.327915 0.363714 0.491936 O\n0.000819 0.713002 0.698042 O\n0.935616 0.234948 0.602104 O\n0.486845 0.620783 0.112508 O\n0.675214 0.157484 0.950894 O\n0.818863 0.255882 0.719613 O\n0.363714 0.491936 0.327915 O\n0.491936 0.327915 0.363714 O\n0.690433 0.338420 0.626994 O\n0.373006 0.309567 0.661580 O\n",
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{
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"created_at": "2022-09-04T14:48:31.667201Z",
"structure_string": "V4 Cd4 Co4 O20\n1.0\n5.940924 0.000000 0.000000\n0.000000 8.008009 0.000000\n0.000000 0.000000 8.841484\nV Cd Co O\n4 4 4 20\ndirect\n0.750000 0.347877 0.682234 V\n0.750000 0.847877 0.817766 V\n0.250000 0.652123 0.317766 V\n0.250000 0.152123 0.182234 V\n0.250000 0.633616 0.680780 Cd\n0.250000 0.133616 0.819220 Cd\n0.750000 0.366384 0.319220 Cd\n0.750000 0.866384 0.180780 Cd\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.504922 0.365829 0.794337 O\n0.995078 0.865829 0.705663 O\n0.004922 0.634171 0.205663 O\n0.495078 0.134171 0.294337 O\n0.495078 0.634171 0.205663 O\n0.004922 0.134171 0.294337 O\n0.995078 0.365829 0.794337 O\n0.504922 0.865829 0.705663 O\n0.750000 0.151033 0.592737 O\n0.750000 0.651033 0.907263 O\n0.250000 0.848967 0.407263 O\n0.250000 0.348967 0.092737 O\n0.250000 0.119141 0.573136 O\n0.250000 0.619141 0.926864 O\n0.750000 0.880859 0.426864 O\n0.750000 0.380859 0.073136 O\n0.750000 0.493629 0.539661 O\n0.750000 0.993629 0.960339 O\n0.250000 0.506371 0.460339 O\n0.250000 0.006371 0.039661 O\n",
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{
"id": "mp-1202719",
"created_at": "2022-09-04T14:39:09.381346Z",
"structure_string": "Pr8 Sb16 Ir12\n1.0\n4.600532 0.000000 0.000000\n0.000000 11.091652 0.000000\n0.000000 0.000000 16.343234\nPr Sb Ir\n8 16 12\ndirect\n0.250000 0.748512 0.506706 Pr\n0.250000 0.751488 0.006706 Pr\n0.750000 0.251488 0.493294 Pr\n0.750000 0.248512 0.993294 Pr\n0.250000 0.589524 0.751337 Pr\n0.250000 0.910476 0.251337 Pr\n0.750000 0.410476 0.248663 Pr\n0.750000 0.089524 0.748663 Pr\n0.250000 0.275573 0.649670 Sb\n0.250000 0.224427 0.149670 Sb\n0.750000 0.724427 0.350330 Sb\n0.750000 0.775573 0.850330 Sb\n0.250000 0.886739 0.710205 Sb\n0.250000 0.613261 0.210205 Sb\n0.750000 0.113261 0.289795 Sb\n0.750000 0.386739 0.789795 Sb\n0.250000 0.062835 0.894551 Sb\n0.250000 0.437165 0.394551 Sb\n0.750000 0.937165 0.105449 Sb\n0.750000 0.562835 0.605449 Sb\n0.250000 0.447642 0.931515 Sb\n0.250000 0.052358 0.431515 Sb\n0.750000 0.552358 0.068485 Sb\n0.750000 0.947642 0.568485 Sb\n0.250000 0.466321 0.556270 Ir\n0.250000 0.033679 0.056270 Ir\n0.750000 0.533679 0.443730 Ir\n0.750000 0.966321 0.943730 Ir\n0.250000 0.056452 0.592155 Ir\n0.250000 0.443548 0.092155 Ir\n0.750000 0.943548 0.407845 Ir\n0.750000 0.556452 0.907845 Ir\n0.250000 0.277424 0.817638 Ir\n0.250000 0.222576 0.317638 Ir\n0.750000 0.722576 0.182362 Ir\n0.750000 0.777424 0.682362 Ir\n",
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{
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