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{
"id": "mp-28812",
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"structure_string": "Ag20 Bi4 O16\n1.0\n9.014001 0.000000 0.000000\n0.000000 6.039216 0.000000\n0.000000 5.793580 12.746371\nAg Bi O\n20 4 16\ndirect\n0.729598 0.877874 0.875139 Ag\n0.770402 0.877874 0.375139 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.138643 0.617275 0.352786 Ag\n0.638643 0.382725 0.147214 Ag\n0.861357 0.382725 0.647214 Ag\n0.361357 0.617275 0.852786 Ag\n0.992342 0.714544 0.753928 Ag\n0.492342 0.285456 0.746072 Ag\n0.007658 0.285456 0.246072 Ag\n0.507658 0.714544 0.253928 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.268011 0.614865 0.125708 Ag\n0.768011 0.385135 0.374292 Ag\n0.731989 0.385135 0.874292 Ag\n0.231989 0.614865 0.625708 Ag\n0.270402 0.122126 0.124861 Ag\n0.229598 0.122126 0.624861 Ag\n0.379285 0.094523 0.377718 Bi\n0.879285 0.905477 0.122282 Bi\n0.620715 0.905477 0.622282 Bi\n0.120715 0.094523 0.877718 Bi\n0.362326 0.030994 0.871613 O\n0.862326 0.969006 0.628387 O\n0.637674 0.969006 0.128387 O\n0.137674 0.030994 0.371613 O\n0.904925 0.697451 0.304920 O\n0.404925 0.302549 0.195080 O\n0.135726 0.930904 0.060191 O\n0.635726 0.069096 0.439809 O\n0.864274 0.069096 0.939809 O\n0.364274 0.930904 0.560191 O\n0.135167 0.456824 0.879187 O\n0.635167 0.543176 0.620813 O\n0.864833 0.543176 0.120813 O\n0.364833 0.456824 0.379187 O\n0.095075 0.302549 0.695080 O\n0.595075 0.697451 0.804920 O\n",
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},
{
"id": "mp-10582",
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"structure_string": "Ca5 P12 Rh19\n1.0\n6.355066 -11.007297 0.000000\n6.355066 11.007297 0.000000\n0.000000 0.000000 3.935278\nCa P Rh\n5 12 19\ndirect\n0.000000 0.184018 0.500000 Ca\n0.815982 0.815982 0.500000 Ca\n0.184018 0.000000 0.500000 Ca\n0.666667 0.333333 0.000000 Ca\n0.333333 0.666667 0.000000 Ca\n0.481870 0.313925 0.500000 P\n0.818966 0.000000 0.000000 P\n0.181034 0.181034 0.000000 P\n0.000000 0.818966 0.000000 P\n0.365994 0.000000 0.000000 P\n0.686075 0.167945 0.500000 P\n0.832055 0.518130 0.500000 P\n0.518130 0.832055 0.500000 P\n0.167945 0.686075 0.500000 P\n0.313925 0.481870 0.500000 P\n0.000000 0.365994 0.000000 P\n0.634006 0.634006 0.000000 P\n0.804164 0.180663 0.000000 Rh\n0.376499 0.195836 0.000000 Rh\n0.640968 0.511471 0.500000 Rh\n0.870503 0.359032 0.500000 Rh\n0.359032 0.870503 0.500000 Rh\n0.511471 0.640968 0.500000 Rh\n0.129497 0.488529 0.500000 Rh\n0.819337 0.623501 0.000000 Rh\n0.623501 0.819337 0.000000 Rh\n0.180663 0.804164 0.000000 Rh\n0.195836 0.376499 0.000000 Rh\n0.000000 0.716276 0.500000 Rh\n0.283724 0.283724 0.500000 Rh\n0.716276 0.000000 0.500000 Rh\n0.000000 0.546302 0.000000 Rh\n0.453698 0.453698 0.000000 Rh\n0.546302 0.000000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.488529 0.129497 0.500000 Rh\n",
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"elements": [
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],
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"density": 7.6224789452917,
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"volume": 550.5619118406553,
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"formula_full": "Ca5 P12 Rh19",
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},
{
"id": "mp-728425",
"created_at": "2022-09-04T14:43:39.423445Z",
"structure_string": "Cr2 H16 N4 O8\n1.0\n3.182308 6.162768 0.000000\n-3.182308 6.162768 0.000000\n0.000000 3.292074 6.966859\nCr H N O\n2 16 4 8\ndirect\n0.172578 0.172578 0.786151 Cr\n0.827422 0.827422 0.213849 Cr\n0.437638 0.437638 0.735363 H\n0.562362 0.562362 0.264637 H\n0.588249 0.588249 0.606547 H\n0.411751 0.411751 0.393453 H\n0.393981 0.657122 0.819605 H\n0.657122 0.393981 0.819605 H\n0.606019 0.342878 0.180395 H\n0.342878 0.606019 0.180395 H\n0.919494 0.919494 0.750617 H\n0.080506 0.080506 0.249383 H\n0.858793 0.858793 0.590514 H\n0.141207 0.141207 0.409486 H\n0.657653 0.918043 0.803709 H\n0.918043 0.657653 0.803709 H\n0.342347 0.081957 0.196291 H\n0.081957 0.342347 0.196291 H\n0.518910 0.518910 0.746192 N\n0.481090 0.481090 0.253808 N\n0.839326 0.839326 0.736913 N\n0.160674 0.160674 0.263087 N\n0.319810 0.319810 0.640581 O\n0.680190 0.680190 0.359419 O\n0.090730 0.090730 0.660481 O\n0.909270 0.909270 0.339519 O\n0.926759 0.355833 0.921664 O\n0.355833 0.926759 0.921664 O\n0.073241 0.644167 0.078336 O\n0.644167 0.073241 0.078336 O\n",
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"elements": [
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"N",
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"chemical_system": "Cr-H-N-O",
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"volume": 273.26565167474587,
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"formula_full": "Cr2 H16 N4 O8",
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"updated_at": "2021-11-28T01:36:20.810000Z",
"spacegroup": 12
},
{
"id": "mp-1173964",
"created_at": "2022-09-04T14:43:39.501804Z",
"structure_string": "Li6 Mn4 O10\n1.0\n2.880787 0.000020 0.000032\n-1.440306 12.162555 0.117940\n0.000057 -0.191725 5.202965\nLi Mn O\n6 4 10\ndirect\n0.899989 0.799997 0.299972 Li\n0.399950 0.800017 0.800013 Li\n0.495361 0.990617 0.502775 Li\n0.304644 0.609383 0.097240 Li\n0.099218 0.198358 0.696055 Li\n0.700845 0.401632 0.903975 Li\n0.804563 0.609287 0.624508 Mn\n0.200812 0.401469 0.413097 Mn\n0.995371 0.990731 0.975492 Mn\n0.599233 0.198511 0.186923 Mn\n0.455339 0.910588 0.135779 O\n0.344635 0.689426 0.464219 O\n0.051587 0.103283 0.306228 O\n0.748379 0.496676 0.293760 O\n0.654146 0.308124 0.546429 O\n0.145939 0.291841 0.053536 O\n0.257023 0.514167 0.751062 O\n0.542958 0.085860 0.848941 O\n0.845775 0.691689 0.920004 O\n0.954233 0.908343 0.679995 O\n",
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"density": 3.837012062141707,
"density_atomic": 0.10966993618163734,
"volume": 182.36538377186284,
"volume_molar": 5.491150054127889,
"formula_full": "Li6 Mn4 O10",
"formula_reduced": "Li3Mn2O5",
"formula_anonymous": "A2B3C5",
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"spacegroup": 12
},
{
"id": "mp-1177040",
"created_at": "2022-09-04T14:43:39.506049Z",
"structure_string": "Li12 Mn6 V2 P12 O48\n1.0\n8.604558 0.000000 0.000000\n0.098930 8.716897 0.000000\n0.398321 0.123297 12.359366\nLi Mn V P O\n12 6 2 12 48\ndirect\n0.077225 0.088630 0.302856 Li\n0.073796 0.692465 0.238716 Li\n0.211367 0.777908 0.825834 Li\n0.289086 0.281739 0.674783 Li\n0.417101 0.198036 0.258088 Li\n0.418205 0.584574 0.195258 Li\n0.583147 0.415087 0.804469 Li\n0.581511 0.804185 0.738482 Li\n0.706684 0.716742 0.326528 Li\n0.793425 0.218212 0.171424 Li\n0.921702 0.305273 0.762592 Li\n0.920360 0.917907 0.698973 Li\n0.247312 0.538071 0.398890 Mn\n0.249228 0.456854 0.891240 Mn\n0.251836 0.959197 0.609853 Mn\n0.753128 0.539877 0.108187 Mn\n0.748759 0.962829 0.897403 Mn\n0.750382 0.463090 0.601425 Mn\n0.252055 0.030145 0.106591 V\n0.746632 0.042602 0.389037 V\n0.037599 0.255768 0.503715 P\n0.103412 0.386171 0.139477 P\n0.102524 0.096730 0.847284 P\n0.399651 0.596634 0.655863 P\n0.393953 0.884102 0.356112 P\n0.466668 0.750368 0.993946 P\n0.538849 0.245579 0.004480 P\n0.602874 0.116504 0.642723 P\n0.600004 0.400279 0.344931 P\n0.896517 0.899711 0.155580 P\n0.899042 0.615239 0.861176 P\n0.960718 0.752103 0.496186 P\n0.047125 0.865634 0.568257 O\n0.078253 0.889434 0.149100 O\n0.069555 0.684360 0.404758 O\n0.076657 0.591739 0.835381 O\n0.099854 0.376823 0.421520 O\n0.141197 0.218304 0.178106 O\n0.134456 0.395172 0.016423 O\n0.143169 0.973797 0.756829 O\n0.149736 0.257492 0.805503 O\n0.170917 0.179358 0.563877 O\n0.175468 0.044460 0.951452 O\n0.195799 0.507260 0.200152 O\n0.301333 0.002058 0.286477 O\n0.327942 0.542695 0.553336 O\n0.333379 0.675858 0.935718 O\n0.350646 0.758809 0.694002 O\n0.357070 0.905017 0.477604 O\n0.358280 0.714321 0.323406 O\n0.360399 0.474219 0.747147 O\n0.402206 0.868302 0.075869 O\n0.429617 0.178382 0.095167 O\n0.417726 0.390643 0.349781 O\n0.425922 0.095446 0.666904 O\n0.450893 0.365726 0.934090 O\n0.553832 0.630684 0.064629 O\n0.570240 0.906273 0.333908 O\n0.582465 0.604525 0.650768 O\n0.575553 0.819699 0.903258 O\n0.598639 0.126315 0.920978 O\n0.638238 0.519249 0.251612 O\n0.641094 0.285076 0.677720 O\n0.640079 0.100083 0.521352 O\n0.653519 0.236670 0.309129 O\n0.674819 0.319760 0.060386 O\n0.671556 0.458066 0.446331 O\n0.697073 0.995491 0.706167 O\n0.805485 0.495063 0.800684 O\n0.821999 0.955294 0.053467 O\n0.827716 0.834371 0.436146 O\n0.846079 0.740113 0.198027 O\n0.861749 0.024306 0.245126 O\n0.868502 0.607327 0.984430 O\n0.862234 0.784166 0.822880 O\n0.892648 0.631320 0.574929 O\n0.925376 0.408699 0.164763 O\n0.927971 0.324231 0.595124 O\n0.919600 0.104357 0.851725 O\n0.951181 0.140944 0.433500 O\n",
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"formula_full": "Li12 Mn6 V2 P12 O48",
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{
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"created_at": "2022-09-04T14:43:39.637471Z",
"structure_string": "In10 Se10 Br2\n1.0\n4.176192 0.000000 0.000000\n0.000000 9.522279 0.000000\n0.000000 0.000000 15.595200\nIn Se Br\n10 10 2\ndirect\n0.000000 0.893656 0.405331 In\n0.500000 0.106344 0.905331 In\n0.500000 0.605440 0.523189 In\n0.000000 0.394560 0.023189 In\n0.500000 0.192849 0.303697 In\n0.000000 0.807151 0.803697 In\n0.500000 0.478008 0.254048 In\n0.000000 0.521992 0.754048 In\n0.500000 0.854101 0.110635 In\n0.000000 0.145899 0.610635 In\n0.500000 0.705885 0.359206 Se\n0.000000 0.294115 0.859206 Se\n0.500000 0.426815 0.659045 Se\n0.000000 0.573185 0.159045 Se\n0.000000 0.773736 0.567836 Se\n0.500000 0.226264 0.067836 Se\n0.500000 0.070617 0.459555 Se\n0.000000 0.929383 0.959555 Se\n0.000000 0.033365 0.249471 Se\n0.500000 0.966635 0.749471 Se\n0.000000 0.408526 0.456907 Br\n0.500000 0.591474 0.956907 Br\n",
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"formula_full": "In10 Se10 Br2",
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{
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"structure_string": "Nd2 In8 Pd1\n1.0\n4.735133 0.000000 0.000000\n0.000000 4.735133 0.000000\n0.000000 0.000000 12.422970\nNd In Pd\n2 8 1\ndirect\n0.500000 0.500000 0.309374 Nd\n0.500000 0.500000 0.690626 Nd\n0.000000 0.500000 0.123132 In\n0.500000 0.000000 0.123132 In\n0.000000 0.000000 0.308294 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.691706 In\n0.000000 0.500000 0.876868 In\n0.500000 0.000000 0.876868 In\n0.500000 0.500000 0.000000 Pd\n",
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{
"id": "mp-864894",
"created_at": "2022-09-04T14:43:39.646904Z",
"structure_string": "Be6 Rh2\n1.0\n2.415992 -4.184621 0.000000\n2.415992 4.184621 0.000000\n0.000000 0.000000 3.745551\nBe Rh\n6 2\ndirect\n0.158972 0.317943 0.250000 Be\n0.682057 0.841028 0.250000 Be\n0.158972 0.841028 0.250000 Be\n0.841028 0.682057 0.750000 Be\n0.317943 0.158972 0.750000 Be\n0.841028 0.158972 0.750000 Be\n0.333333 0.666667 0.750000 Rh\n0.666667 0.333333 0.250000 Rh\n",
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{
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