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{
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{
"id": "mp-756040",
"created_at": "2022-09-04T14:41:55.223489Z",
"structure_string": "Gd4 Hg2 O8\n1.0\n1.854589 6.904641 0.000000\n-1.854589 6.904641 0.000000\n0.000000 5.430674 8.674814\nGd Hg O\n4 2 8\ndirect\n0.619695 0.619695 0.538584 Gd\n0.159361 0.159361 0.200640 Gd\n0.840639 0.840639 0.799360 Gd\n0.380305 0.380305 0.461416 Gd\n0.886178 0.886178 0.161485 Hg\n0.113822 0.113822 0.838515 Hg\n0.230690 0.230690 0.388638 O\n0.796760 0.796760 0.055792 O\n0.035154 0.035154 0.718767 O\n0.581829 0.581829 0.347210 O\n0.418171 0.418171 0.652790 O\n0.964846 0.964846 0.281233 O\n0.203240 0.203240 0.944208 O\n0.769310 0.769310 0.611362 O\n",
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},
{
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"structure_string": "Fe4 P4 O16\n1.0\n5.350552 0.000000 0.000000\n0.000000 8.735125 0.000000\n0.000000 2.684690 8.383844\nFe P O\n4 4 16\ndirect\n0.306909 0.224043 0.129849 Fe\n0.805107 0.367927 0.629699 Fe\n0.693091 0.724043 0.129849 Fe\n0.194893 0.867927 0.629699 Fe\n0.692279 0.992500 0.758154 P\n0.803735 0.347976 0.257372 P\n0.307721 0.492500 0.758154 P\n0.196265 0.847976 0.257372 P\n0.229321 0.013539 0.128919 O\n0.422251 0.001829 0.693503 O\n0.628760 0.224667 0.217368 O\n0.076221 0.288924 0.260448 O\n0.763719 0.158875 0.773429 O\n0.737289 0.363939 0.422357 O\n0.770679 0.513539 0.128919 O\n0.287204 0.366353 0.923129 O\n0.129643 0.446896 0.640284 O\n0.577749 0.501829 0.693503 O\n0.371240 0.724667 0.217368 O\n0.923779 0.788924 0.260448 O\n0.236281 0.658875 0.773429 O\n0.262711 0.863939 0.422357 O\n0.712796 0.866353 0.923129 O\n0.870357 0.946896 0.640284 O\n",
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"updated_at": "2021-11-28T01:35:30.900000Z",
"spacegroup": 7
},
{
"id": "mp-17367",
"created_at": "2022-09-04T14:41:55.824751Z",
"structure_string": "Mn8 Si4 Se16\n1.0\n6.273692 0.000000 0.000000\n0.000000 7.836305 0.000000\n0.000000 0.000000 13.419420\nMn Si Se\n8 4 16\ndirect\n0.495873 0.750000 0.233516 Mn\n0.995873 0.250000 0.266484 Mn\n0.504127 0.250000 0.766484 Mn\n0.004127 0.750000 0.733516 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.593606 0.750000 0.911372 Si\n0.093606 0.250000 0.588628 Si\n0.406394 0.250000 0.088628 Si\n0.906394 0.750000 0.411372 Si\n0.270763 0.750000 0.407132 Se\n0.770763 0.250000 0.092868 Se\n0.729237 0.250000 0.592868 Se\n0.229237 0.750000 0.907132 Se\n0.757313 0.750000 0.569263 Se\n0.257313 0.250000 0.930737 Se\n0.242687 0.250000 0.430737 Se\n0.742687 0.750000 0.069263 Se\n0.748787 0.980366 0.332281 Se\n0.248787 0.019634 0.167719 Se\n0.251213 0.480366 0.667719 Se\n0.751213 0.519634 0.832281 Se\n0.251213 0.019634 0.667719 Se\n0.751213 0.980366 0.832281 Se\n0.748787 0.519634 0.332281 Se\n0.248787 0.480366 0.167719 Se\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.568849281864373,
"density_atomic": 0.04244140582954845,
"volume": 659.7330944326521,
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"formula_full": "Mn8 Si4 Se16",
"formula_reduced": "Mn2SiSe4",
"formula_anonymous": "AB2C4",
"energy": -170.39219254,
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"updated_at": "2021-11-28T01:35:27.752000Z",
"spacegroup": 62
},
{
"id": "mp-1197608",
"created_at": "2022-09-04T14:41:57.758656Z",
"structure_string": "Na12 Mg4 P12 H96 O88\n1.0\n-0.000000 -9.268600 0.000000\n-14.764793 -0.000001 0.033371\n0.031474 0.000000 -15.164086\nNa Mg P H O\n12 4 12 96 88\ndirect\n0.966337 0.142677 0.209318 Na\n0.533663 0.642677 0.709318 Na\n0.033663 0.857323 0.790682 Na\n0.466337 0.357323 0.290682 Na\n0.235623 0.247170 0.937727 Na\n0.264377 0.747170 0.437727 Na\n0.764377 0.752830 0.062273 Na\n0.735623 0.252830 0.562273 Na\n0.808678 0.386001 0.204012 Na\n0.691322 0.886001 0.704012 Na\n0.191322 0.613999 0.795988 Na\n0.308678 0.113999 0.295988 Na\n0.956712 0.248813 0.819811 Mg\n0.543287 0.748813 0.319811 Mg\n0.043288 0.751187 0.180189 Mg\n0.456713 0.251187 0.680189 Mg\n0.727378 0.404415 0.901284 P\n0.772621 0.904415 0.401284 P\n0.272622 0.595585 0.098716 P\n0.227379 0.095585 0.598716 P\n0.721033 0.108357 0.909327 P\n0.778967 0.608357 0.409327 P\n0.278967 0.891643 0.090673 P\n0.221033 0.391643 0.590673 P\n0.843209 0.259617 0.016641 P\n0.656791 0.759617 0.516641 P\n0.156791 0.740383 0.983359 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H\n0.763010 0.314215 0.377918 H\n0.736990 0.814215 0.877918 H\n0.236990 0.685785 0.622082 H\n0.263010 0.185785 0.122082 H\n0.713673 0.235600 0.313346 H\n0.786327 0.735600 0.813346 H\n0.286327 0.764400 0.686654 H\n0.213673 0.264400 0.186654 H\n0.874900 0.021075 0.054542 H\n0.625100 0.521075 0.554542 H\n0.125100 0.978925 0.945458 H\n0.374900 0.478925 0.445458 H\n0.033257 0.000748 0.087384 H\n0.466743 0.500748 0.587384 H\n0.966743 0.999252 0.912616 H\n0.533257 0.499252 0.412616 H\n0.977567 0.196312 0.396340 H\n0.522433 0.696312 0.896340 H\n0.022433 0.803688 0.603660 H\n0.477567 0.303688 0.103660 H\n0.119550 0.244520 0.363633 H\n0.380450 0.744520 0.863633 H\n0.880450 0.755480 0.636367 H\n0.619550 0.255480 0.136367 H\n0.626819 0.535049 0.261363 H\n0.873181 0.035049 0.761363 H\n0.373181 0.464951 0.738637 H\n0.126819 0.964951 0.238637 H\n0.544363 0.517186 0.174181 H\n0.955637 0.017186 0.674181 H\n0.455637 0.482814 0.825819 H\n0.044363 0.982814 0.325819 H\n0.318059 0.411946 0.039308 H\n0.181941 0.911946 0.539308 H\n0.681941 0.588054 0.960692 H\n0.818059 0.088054 0.460692 H\n0.444907 0.381573 0.975778 H\n0.055093 0.881573 0.475778 H\n0.555093 0.618427 0.024222 H\n0.944907 0.118427 0.524222 H\n0.433535 0.115135 0.977950 H\n0.066465 0.615135 0.477950 H\n0.566465 0.884865 0.022050 H\n0.933535 0.384865 0.522050 H\n0.301113 0.069247 0.026966 H\n0.198887 0.569247 0.526966 H\n0.698887 0.930753 0.973034 H\n0.801113 0.430753 0.473034 H\n0.874699 0.492836 0.047749 H\n0.625301 0.992836 0.547749 H\n0.125301 0.507164 0.952251 H\n0.374699 0.007164 0.452251 H\n0.025773 0.494835 0.097274 H\n0.474227 0.994835 0.597274 H\n0.974227 0.505165 0.902726 H\n0.525773 0.005165 0.402726 H\n0.982202 0.494254 0.336815 H\n0.517798 0.994254 0.836815 H\n0.017798 0.505746 0.663185 H\n0.482202 0.005746 0.163185 H\n0.967904 0.391977 0.361467 H\n0.532096 0.891977 0.861467 H\n0.032096 0.608023 0.638533 H\n0.467904 0.108023 0.138533 H\n0.562944 0.404172 0.891846 O\n0.937056 0.904172 0.391846 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"formula_full": "Na12 Mg4 P12 H96 O88",
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"spacegroup": 14
},
{
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"structure_string": "Li9 Sb9 P12 O48\n1.0\n8.977086 0.000000 0.000000\n0.219010 9.105529 0.000000\n0.069100 0.197941 13.373763\nLi Sb P O\n9 9 12 48\ndirect\n0.647883 0.468592 0.164390 Li\n0.013204 0.530180 0.506993 Li\n0.560120 0.160333 0.173503 Li\n0.938557 0.669422 0.825386 Li\n0.185341 0.002907 0.165286 Li\n0.474231 0.993049 0.503515 Li\n0.842217 0.967990 0.833963 Li\n0.105574 0.829323 0.493227 Li\n0.305404 0.505951 0.831098 Li\n0.790115 0.843146 0.135036 Sb\n0.872439 0.145944 0.529785 Sb\n0.299100 0.660369 0.137362 Sb\n0.634648 0.669878 0.471808 Sb\n0.040833 0.336106 0.198903 Sb\n0.371632 0.341800 0.525904 Sb\n0.716259 0.352978 0.864242 Sb\n0.463116 0.829408 0.797824 Sb\n0.202899 0.161511 0.867345 Sb\n0.853123 0.202457 0.056967 P\n0.994226 0.723309 0.280923 P\n0.353058 0.294854 0.059909 P\n0.678110 0.276236 0.384019 P\n0.489894 0.803841 0.277921 P\n0.818207 0.798455 0.615269 P\n0.177934 0.195595 0.389755 P\n0.508899 0.213506 0.723088 P\n0.316271 0.701987 0.605288 P\n0.651985 0.694896 0.948406 P\n0.014284 0.303162 0.719377 P\n0.150019 0.794334 0.936387 P\n0.000526 0.882766 0.239726 O\n0.833528 0.364873 0.089319 O\n0.734641 0.099814 0.097854 O\n0.641828 0.674204 0.064073 O\n0.838709 0.668789 0.241515 O\n0.495048 0.368743 0.089891 O\n0.832292 0.330997 0.422225 O\n0.652612 0.293714 0.273143 O\n0.610449 0.900798 0.223165 O\n0.017732 0.337325 0.607025 O\n0.928441 0.901920 0.560534 O\n0.508597 0.638100 0.261456 O\n0.346536 0.134413 0.091127 O\n0.832531 0.637588 0.575286 O\n0.675619 0.115149 0.426518 O\n0.215755 0.388742 0.110193 O\n0.176043 0.815758 0.052744 O\n0.556447 0.377043 0.442351 O\n0.492026 0.841367 0.390276 O\n0.886189 0.400589 0.770096 O\n0.336130 0.848280 0.227289 O\n0.826246 0.807207 0.727999 O\n0.655710 0.843745 0.571406 O\n0.005017 0.870912 0.906980 O\n0.011170 0.156390 0.101856 O\n0.332010 0.149349 0.437994 O\n0.173908 0.162836 0.276146 O\n0.663885 0.162621 0.765210 O\n0.115056 0.620350 0.222965 O\n0.497987 0.174539 0.609748 O\n0.454294 0.609222 0.555378 O\n0.861105 0.195987 0.939479 O\n0.775387 0.592508 0.904265 O\n0.323503 0.863494 0.577469 O\n0.162847 0.361950 0.406906 O\n0.670140 0.858222 0.920026 O\n0.485440 0.377678 0.739746 O\n0.056722 0.099327 0.442707 O\n0.014201 0.700528 0.391984 O\n0.386523 0.117720 0.778678 O\n0.337672 0.676011 0.722162 O\n0.175407 0.629619 0.571894 O\n0.498808 0.651707 0.897495 O\n0.162598 0.348706 0.773648 O\n0.327943 0.318694 0.943380 O\n0.284247 0.885735 0.885064 O\n0.159022 0.634263 0.906731 O\n0.001890 0.138188 0.743999 O\n",
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