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{
"id": "mp-1046756",
"created_at": "2022-09-04T14:42:02.780641Z",
"structure_string": "Sr4 Ti2 Al2 Cu4 O14\n1.0\n5.292137 -0.000343 -1.222030\n-0.300410 5.586528 -1.306251\n0.002272 -0.137673 12.099207\nSr Ti Al Cu O\n4 2 2 4 14\ndirect\n0.362382 0.334434 0.720539 Sr\n0.636826 0.671394 0.279947 Sr\n0.863110 0.889803 0.720795 Sr\n0.137958 0.108738 0.280156 Sr\n0.280791 0.676421 0.500250 Ti\n0.781419 0.325958 0.500430 Ti\n0.983955 0.993484 0.000517 Al\n0.483402 0.510967 0.000240 Al\n0.434158 0.944105 0.890358 Cu\n0.539475 0.070012 0.110552 Cu\n0.933505 0.450222 0.890212 Cu\n0.039111 0.543337 0.110308 Cu\n0.127525 0.380117 0.500535 O\n0.626763 0.622118 0.500363 O\n0.251482 0.284938 0.892971 O\n0.346293 0.722541 0.108476 O\n0.751819 0.111278 0.893146 O\n0.846485 0.889002 0.108181 O\n0.611994 0.610199 0.889349 O\n0.711695 0.398976 0.110186 O\n0.113223 0.783351 0.889678 O\n0.212296 0.214943 0.110999 O\n0.268329 0.881828 0.634192 O\n0.633752 0.121055 0.367220 O\n0.770169 0.256130 0.634815 O\n0.132360 0.745992 0.366671 O\n",
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{
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"structure_string": "Tm1 Zr1 Os2\n1.0\n0.000000 3.322433 3.322433\n3.322433 0.000000 3.322433\n3.322433 3.322433 0.000000\nTm Zr Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
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"spacegroup": 225
},
{
"id": "mp-31442",
"created_at": "2022-09-04T14:42:02.784812Z",
"structure_string": "Li2 In1 Rh1\n1.0\n0.000000 3.161796 3.161796\n3.161796 0.000000 3.161796\n3.161796 3.161796 0.000000\nLi In Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Rh\n",
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"formula_full": "Li2 In1 Rh1",
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},
{
"id": "mp-1227357",
"created_at": "2022-09-04T14:42:02.784515Z",
"structure_string": "Be9 Cu3\n1.0\n6.904728 -2.084863 0.000000\n6.904728 2.084863 0.000000\n6.275210 0.000000 3.555794\nBe Cu\n9 3\ndirect\n0.063151 0.562795 0.562795 Be\n0.561914 0.062101 0.062101 Be\n0.562795 0.562795 0.063151 Be\n0.062101 0.062101 0.561914 Be\n0.812437 0.812437 0.812437 Be\n0.312605 0.312605 0.312605 Be\n0.562795 0.063151 0.562795 Be\n0.062101 0.561914 0.062101 Be\n0.124925 0.124925 0.124925 Be\n0.624808 0.624808 0.624808 Cu\n0.002709 0.002709 0.002709 Cu\n0.497658 0.497658 0.497658 Cu\n",
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"spacegroup": 160
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{
"id": "mp-1224748",
"created_at": "2022-09-04T14:42:03.225066Z",
"structure_string": "K4 H28 Rh4 N24 O34\n1.0\n7.624634 0.019078 -0.647390\n-2.824753 8.849814 -0.112805\n0.145972 0.092356 16.978792\nK H Rh N O\n4 28 4 24 34\ndirect\n0.100012 0.387346 0.826794 K\n0.899988 0.612654 0.173206 K\n0.581252 0.270949 0.946648 K\n0.418748 0.729051 0.053352 K\n0.139114 0.846558 0.864471 H\n0.860886 0.153442 0.135529 H\n0.674411 0.359667 0.603643 H\n0.325589 0.640333 0.396357 H\n0.682067 0.761918 0.695585 H\n0.317933 0.238082 0.304415 H\n0.989477 0.599008 0.617365 H\n0.010523 0.400992 0.382635 H\n0.076024 0.864996 0.770241 H\n0.923976 0.135004 0.229759 H\n0.765713 0.944192 0.724434 H\n0.234287 0.055808 0.275566 H\n0.688691 0.226199 0.667216 H\n0.311309 0.773801 0.332784 H\n0.079255 0.999579 0.836443 H\n0.920745 0.000421 0.163557 H\n0.639701 0.181048 0.572268 H\n0.360299 0.818952 0.427732 H\n0.063628 0.595088 0.535689 H\n0.936372 0.404912 0.464311 H\n0.553136 0.844423 0.743011 H\n0.446864 0.155577 0.256989 H\n0.363322 0.324325 0.489540 H\n0.636678 0.675675 0.510459 H\n0.157054 0.197936 0.492723 H\n0.842946 0.802064 0.507277 H\n0.339848 0.140799 0.478872 H\n0.660152 0.859201 0.521128 H\n0.777300 0.773810 0.850467 Rh\n0.222700 0.226190 0.149533 Rh\n0.335985 0.200044 0.631518 Rh\n0.664015 0.799956 0.368482 Rh\n0.379275 0.430790 0.645693 N\n0.620725 0.569210 0.354307 N\n0.295130 0.218886 0.507674 N\n0.704870 0.781114 0.492326 N\n0.508830 0.669557 0.868502 N\n0.491170 0.330443 0.131498 N\n0.056100 0.150760 0.637591 N\n0.943900 0.849240 0.362409 N\n0.052256 0.885424 0.827425 N\n0.947744 0.114576 0.172575 N\n0.805298 0.582807 0.795933 N\n0.194702 0.417193 0.204067 N\n0.300679 0.970970 0.615216 N\n0.699321 0.029030 0.384784 N\n0.398008 0.176408 0.749599 N\n0.601992 0.823592 0.250401 N\n0.684492 0.839812 0.739151 N\n0.315508 0.160188 0.260849 N\n0.876722 0.711946 0.956280 N\n0.123278 0.288054 0.043720 N\n0.760567 0.973028 0.901394 N\n0.239433 0.026972 0.098606 N\n0.619717 0.248280 0.616821 N\n0.380283 0.751720 0.383179 N\n0.330983 0.228754 0.804096 O\n0.669017 0.771246 0.195904 O\n0.879891 0.598830 0.732229 O\n0.120109 0.401170 0.267771 O\n0.513332 0.108205 0.766542 O\n0.486668 0.891795 0.233458 O\n0.493510 0.516249 0.604350 O\n0.506490 0.483751 0.395650 O\n0.657540 0.971902 0.955189 O\n0.342460 0.028098 0.044811 O\n0.954575 0.107043 0.575417 O\n0.045425 0.892957 0.424583 O\n0.760049 0.456509 0.826691 O\n0.239951 0.543491 0.173309 O\n0.464044 0.553255 0.908381 O\n0.535956 0.446745 0.091619 O\n0.388371 0.723572 0.838957 O\n0.611629 0.276428 0.161043 O\n0.182024 0.876854 0.650006 O\n0.817976 0.123146 0.349994 O\n0.298247 0.483508 0.693849 O\n0.701753 0.516492 0.306151 O\n0.853003 0.095226 0.875156 O\n0.146997 0.904774 0.124844 O\n0.022349 0.676039 0.957580 O\n0.977651 0.323961 0.042419 O\n0.401609 0.930508 0.570775 O\n0.598391 0.069492 0.429225 O\n0.949783 0.573114 0.561736 O\n0.050217 0.426886 0.438264 O\n0.796436 0.711616 0.017434 O\n0.203564 0.288384 0.982566 O\n0.986423 0.158682 0.701385 O\n0.013577 0.841318 0.298615 O\n",
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"N",
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],
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"density": 2.136138825727167,
"density_atomic": 0.0819050516152608,
"volume": 1147.670359107443,
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"formula_full": "K4 H28 Rh4 N24 O34",
"formula_reduced": "K2H14Rh2N12O17",
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{
"id": "mp-1041784",
"created_at": "2022-09-04T14:42:02.752536Z",
"structure_string": "Mg4 Cu8 O16\n1.0\n5.048481 0.000000 0.000000\n0.000000 5.753283 0.000000\n0.000000 0.000000 10.079954\nMg Cu O\n4 8 16\ndirect\n0.843164 0.000000 0.500000 Mg\n0.156836 0.500000 0.000000 Mg\n0.515666 0.000000 0.000000 Mg\n0.484334 0.500000 0.500000 Mg\n0.515195 0.500000 0.233036 Cu\n0.515195 0.500000 0.766964 Cu\n0.484805 0.000000 0.266964 Cu\n0.484805 0.000000 0.733036 Cu\n0.000000 0.250000 0.250000 Cu\n0.000000 0.750000 0.750000 Cu\n0.000000 0.750000 0.250000 Cu\n0.000000 0.250000 0.750000 Cu\n0.860348 0.500000 0.144678 O\n0.860348 0.500000 0.855322 O\n0.139652 0.000000 0.355322 O\n0.139652 0.000000 0.644678 O\n0.198268 0.500000 0.345553 O\n0.198268 0.500000 0.654447 O\n0.801732 0.000000 0.154447 O\n0.801732 0.000000 0.845553 O\n0.665085 0.252886 0.368135 O\n0.665085 0.747114 0.631865 O\n0.334915 0.752886 0.131865 O\n0.334915 0.247114 0.868135 O\n0.334915 0.247114 0.131865 O\n0.334915 0.752886 0.868135 O\n0.665085 0.747114 0.368135 O\n0.665085 0.252886 0.631865 O\n",
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{
"id": "mp-1226412",
"created_at": "2022-09-04T14:42:02.758580Z",
"structure_string": "Cs2 Cu1 Br1 Cl3\n1.0\n-2.572026 2.572026 8.504602\n2.572026 -2.572026 8.504602\n2.572026 2.572026 -8.504602\nCs Cu Br Cl\n2 1 1 3\ndirect\n0.636887 0.636887 0.000000 Cs\n0.364313 0.364313 0.000000 Cs\n0.996583 0.996583 0.000000 Cu\n0.144969 0.144969 0.000000 Br\n0.499052 0.999052 0.500000 Cl\n0.999052 0.499052 0.500000 Cl\n0.859145 0.859145 0.000000 Cl\n",
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{
"id": "mp-1206858",
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"structure_string": "Rb1 P2 Ru2\n1.0\n-2.036955 2.036955 6.579682\n2.036955 -2.036955 6.579682\n2.036955 2.036955 -6.579682\nRb P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333860 0.333860 0.000000 P\n0.666140 0.666140 0.000000 P\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
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{
"id": "mp-772570",
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"structure_string": "Co4 N4 Cl16 O12\n1.0\n8.948590 0.000000 0.000000\n0.000000 9.190837 0.000000\n0.000000 0.000000 11.945362\nCo N Cl O\n4 4 16 12\ndirect\n0.174824 0.750000 0.595791 Co\n0.325176 0.250000 0.095791 Co\n0.674824 0.750000 0.904209 Co\n0.825176 0.250000 0.404209 Co\n0.158819 0.250000 0.774059 N\n0.341181 0.750000 0.274059 N\n0.658819 0.250000 0.725941 N\n0.841181 0.750000 0.225941 N\n0.026802 0.250000 0.499159 Cl\n0.124677 0.750000 0.769507 Cl\n0.196815 0.437294 0.055448 Cl\n0.196815 0.062706 0.055448 Cl\n0.303185 0.562706 0.555448 Cl\n0.303185 0.937294 0.555448 Cl\n0.375323 0.250000 0.269507 Cl\n0.473198 0.750000 0.999159 Cl\n0.526802 0.250000 0.000841 Cl\n0.624677 0.750000 0.730493 Cl\n0.696815 0.062706 0.444552 Cl\n0.696815 0.437294 0.444552 Cl\n0.803185 0.562706 0.944552 Cl\n0.803185 0.937294 0.944552 Cl\n0.875323 0.250000 0.230493 Cl\n0.973198 0.750000 0.500841 Cl\n0.093703 0.131699 0.792451 O\n0.093703 0.368301 0.792451 O\n0.209954 0.750000 0.237411 O\n0.290046 0.250000 0.737411 O\n0.406297 0.631699 0.292451 O\n0.406297 0.868301 0.292451 O\n0.593703 0.131699 0.707549 O\n0.593703 0.368301 0.707549 O\n0.709954 0.750000 0.262589 O\n0.790046 0.250000 0.762589 O\n0.906297 0.631699 0.207549 O\n0.906297 0.868301 0.207549 O\n",
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{
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{
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{
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}