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{
"id": "mp-541167",
"created_at": "2022-09-04T14:39:32.058378Z",
"structure_string": "Rb4 Ho4 P16 O48\n1.0\n8.957271 0.000000 0.000000\n0.000000 10.386594 0.000000\n0.000000 7.277205 10.625481\nRb Ho P O\n4 4 16 48\ndirect\n0.433620 0.266833 0.542256 Rb\n0.066380 0.266833 0.042256 Rb\n0.566380 0.733167 0.457744 Rb\n0.933620 0.733167 0.957744 Rb\n0.726912 0.183467 0.818126 Ho\n0.773088 0.183467 0.318126 Ho\n0.273088 0.816533 0.181874 Ho\n0.226912 0.816533 0.681874 Ho\n0.328770 0.174841 0.865668 P\n0.171230 0.174841 0.365668 P\n0.671230 0.825159 0.134332 P\n0.828770 0.825159 0.634332 P\n0.591877 0.888626 0.758354 P\n0.908123 0.888626 0.258354 P\n0.408123 0.111374 0.241646 P\n0.091877 0.111374 0.741646 P\n0.525025 0.525208 0.221462 P\n0.974975 0.525208 0.721462 P\n0.474975 0.474792 0.778538 P\n0.025025 0.474792 0.278538 P\n0.889617 0.301515 0.523478 P\n0.610383 0.301515 0.023478 P\n0.110383 0.698485 0.476522 P\n0.389617 0.698485 0.976522 P\n0.256595 0.070434 0.992040 O\n0.243405 0.070434 0.492040 O\n0.743405 0.929566 0.007960 O\n0.756595 0.929566 0.507960 O\n0.208843 0.221297 0.754678 O\n0.291157 0.221297 0.254678 O\n0.791157 0.778703 0.245322 O\n0.708843 0.778703 0.745322 O\n0.472101 0.131606 0.832936 O\n0.027899 0.131606 0.332936 O\n0.527899 0.868394 0.167064 O\n0.972101 0.868394 0.667064 O\n0.458520 0.924302 0.675626 O\n0.041480 0.924302 0.175626 O\n0.541480 0.075698 0.324374 O\n0.958520 0.075698 0.824374 O\n0.676984 0.020513 0.746047 O\n0.823016 0.020513 0.246047 O\n0.323016 0.979487 0.253953 O\n0.176984 0.979487 0.753953 O\n0.414262 0.571627 0.282720 O\n0.085738 0.571627 0.782720 O\n0.585738 0.428373 0.717280 O\n0.914262 0.428373 0.217280 O\n0.657411 0.654923 0.157408 O\n0.842589 0.654923 0.657408 O\n0.342589 0.345077 0.842592 O\n0.157411 0.345077 0.342592 O\n0.832626 0.202050 0.481947 O\n0.667374 0.202050 0.981947 O\n0.167374 0.797950 0.518053 O\n0.332626 0.797950 0.018053 O\n0.787676 0.337125 0.596861 O\n0.712324 0.337125 0.096861 O\n0.212324 0.662875 0.403139 O\n0.287676 0.662875 0.903139 O\n0.952062 0.462035 0.399752 O\n0.547938 0.462035 0.899752 O\n0.047938 0.537965 0.600248 O\n0.452062 0.537965 0.100248 O\n0.905796 0.366569 0.801700 O\n0.594204 0.366569 0.301700 O\n0.094204 0.633431 0.198300 O\n0.405796 0.633431 0.698300 O\n0.047747 0.234425 0.596385 O\n0.452253 0.234425 0.096385 O\n0.952253 0.765575 0.403615 O\n0.547747 0.765575 0.903615 O\n",
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"formula_full": "Rb4 Ho4 P16 O48",
"formula_reduced": "RbHo(PO3)4",
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"spacegroup": 14
},
{
"id": "mp-733988",
"created_at": "2022-09-04T14:47:26.257410Z",
"structure_string": "Rb4 Ho4 S8 O36\n1.0\n8.556290 0.000000 0.000000\n0.000000 10.192597 0.000000\n0.000000 4.830503 9.189434\nRb Ho S O\n4 4 8 36\ndirect\n0.835296 0.781662 0.181681 Rb\n0.335296 0.218338 0.318319 Rb\n0.164704 0.218338 0.818319 Rb\n0.664704 0.781662 0.681681 Rb\n0.870847 0.248207 0.469977 Ho\n0.370847 0.751793 0.030023 Ho\n0.129153 0.751793 0.530023 Ho\n0.629153 0.248207 0.969977 Ho\n0.136362 0.939602 0.684098 S\n0.636362 0.060398 0.815902 S\n0.863638 0.060398 0.315902 S\n0.363638 0.939602 0.184098 S\n0.196427 0.507492 0.390995 S\n0.696427 0.492508 0.109005 S\n0.803573 0.492508 0.609005 S\n0.303573 0.507492 0.890995 S\n0.066499 0.091201 0.618547 O\n0.566499 0.908799 0.881453 O\n0.933501 0.908799 0.381453 O\n0.433501 0.091201 0.118547 O\n0.620057 0.346129 0.434161 O\n0.120057 0.653871 0.065839 O\n0.379943 0.653871 0.565839 O\n0.879943 0.346129 0.934161 O\n0.710728 0.088045 0.676842 O\n0.210728 0.911955 0.823158 O\n0.289272 0.911955 0.323158 O\n0.789272 0.088045 0.176842 O\n0.295057 0.439738 0.522566 O\n0.795057 0.560262 0.977434 O\n0.704943 0.560262 0.477434 O\n0.204943 0.439738 0.022566 O\n0.394083 0.634760 0.885419 O\n0.894083 0.365240 0.614581 O\n0.605917 0.365240 0.114581 O\n0.105917 0.634760 0.385419 O\n0.091023 0.394470 0.385982 O\n0.591023 0.605530 0.114018 O\n0.908977 0.605530 0.614018 O\n0.408977 0.394470 0.885982 O\n0.297471 0.562676 0.256756 O\n0.797471 0.437324 0.243244 O\n0.702529 0.437324 0.743244 O\n0.202529 0.562676 0.756756 O\n0.255460 0.931048 0.581041 O\n0.755460 0.068952 0.918959 O\n0.744540 0.068952 0.418959 O\n0.244540 0.931048 0.081041 O\n0.015479 0.827837 0.700631 O\n0.515479 0.172163 0.799369 O\n0.984521 0.172163 0.299369 O\n0.484521 0.827837 0.200631 O\n",
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],
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"volume": 801.4180357436103,
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"formula_full": "Rb4 Ho4 S8 O36",
"formula_reduced": "RbHoS2O9",
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"updated_at": "2021-11-28T01:38:06.623000Z",
"spacegroup": 14
},
{
"id": "mp-1209368",
"created_at": "2022-09-04T14:42:57.295208Z",
"structure_string": "Rb3 Ho1 V2 O8\n1.0\n3.036923 -5.260105 0.000000\n3.036923 5.260105 0.000000\n0.000000 0.000000 7.872085\nRb Ho V O\n3 1 2 8\ndirect\n0.333333 0.666667 0.688667 Rb\n0.666667 0.333333 0.311333 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ho\n0.333333 0.666667 0.251844 V\n0.666667 0.333333 0.748156 V\n0.333333 0.666667 0.038515 O\n0.666667 0.333333 0.961485 O\n0.174992 0.825008 0.329928 O\n0.825008 0.174992 0.670072 O\n0.174992 0.349984 0.329928 O\n0.825008 0.650016 0.670072 O\n0.650016 0.825008 0.329928 O\n0.349984 0.174992 0.670072 O\n",
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"elements": [
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],
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"formula_full": "Rb3 Ho1 V2 O8",
"formula_reduced": "Rb3HoV2O8",
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},
{
"id": "mp-1209334",
"created_at": "2022-09-04T14:43:06.089221Z",
"structure_string": "Rb2 Ho2 W4 O16\n1.0\n5.308291 5.445770 0.000000\n-5.308291 5.445770 0.000000\n0.000000 4.823741 5.737144\nRb Ho W O\n2 2 4 16\ndirect\n0.199503 0.800497 0.750000 Rb\n0.800497 0.199503 0.250000 Rb\n0.776142 0.223858 0.750000 Ho\n0.223858 0.776142 0.250000 Ho\n0.700117 0.689517 0.781167 W\n0.299883 0.310483 0.218833 W\n0.310483 0.299883 0.718833 W\n0.689517 0.700117 0.281167 W\n0.620304 0.755452 0.559173 O\n0.379696 0.244548 0.440827 O\n0.244548 0.379696 0.940827 O\n0.755452 0.620304 0.059173 O\n0.373565 0.060006 0.877811 O\n0.626435 0.939994 0.122189 O\n0.939994 0.626435 0.622189 O\n0.060006 0.373565 0.377811 O\n0.590907 0.370163 0.965220 O\n0.409093 0.629837 0.034780 O\n0.629837 0.409093 0.534780 O\n0.370163 0.590907 0.465220 O\n0.784476 0.955128 0.692830 O\n0.215524 0.044872 0.307170 O\n0.044872 0.215524 0.807170 O\n0.955128 0.784476 0.192830 O\n",
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{
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"structure_string": "Rb4 I4 O8 F8\n1.0\n0.000000 -6.282066 0.000000\n-8.756778 0.000000 0.000000\n0.000000 0.000000 -8.854088\nRb I O F\n4 4 8 8\ndirect\n0.528342 0.288268 0.311372 Rb\n0.471658 0.711732 0.811372 Rb\n0.528342 0.211732 0.811372 Rb\n0.471658 0.788268 0.311372 Rb\n0.945219 0.008030 0.532349 I\n0.054781 0.991970 0.032349 I\n0.945219 0.491970 0.032349 I\n0.054781 0.508030 0.532349 I\n0.856790 0.202952 0.557357 O\n0.143210 0.797048 0.057357 O\n0.856790 0.297048 0.057357 O\n0.143210 0.702952 0.557357 O\n0.865306 0.970888 0.340260 O\n0.134694 0.029112 0.840260 O\n0.865306 0.529112 0.840260 O\n0.134694 0.470888 0.340260 O\n0.243094 0.072271 0.465896 F\n0.756906 0.927729 0.965896 F\n0.243094 0.427729 0.965896 F\n0.756906 0.572271 0.465896 F\n0.653550 0.930215 0.609226 F\n0.346450 0.069785 0.109226 F\n0.653550 0.569785 0.109226 F\n0.346450 0.430215 0.609226 F\n",
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{
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"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n0.000000 5.568617 5.568617\n5.568617 0.000000 5.568617\n5.568617 5.568617 0.000000\nRb In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.755298 0.244702 0.244702 Br\n0.244702 0.244702 0.755298 Br\n0.244702 0.755298 0.755298 Br\n0.244702 0.755298 0.244702 Br\n0.755298 0.244702 0.755298 Br\n0.755298 0.755298 0.244702 Br\n",
"nsites": 10,
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{
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"structure_string": "Rb2 In1 Ag1 Cl6\n1.0\n0.000000 5.282861 5.282861\n5.282861 0.000000 5.282861\n5.282861 5.282861 0.000000\nRb In Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.757979 0.242021 0.242021 Cl\n0.242021 0.242021 0.757979 Cl\n0.242021 0.757979 0.757979 Cl\n0.242021 0.757979 0.242021 Cl\n0.757979 0.242021 0.757979 Cl\n0.757979 0.757979 0.242021 Cl\n",
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{
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"structure_string": "Rb2 In1 Ag1 F6\n1.0\n0.000000 4.553510 4.553510\n4.553510 0.000000 4.553510\n4.553510 4.553510 0.000000\nRb In Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.231629 0.231629 0.768371 F\n0.231629 0.768371 0.768371 F\n0.768371 0.768371 0.231629 F\n0.231629 0.768371 0.231629 F\n0.768371 0.231629 0.768371 F\n0.768371 0.231629 0.231629 F\n",
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{
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"structure_string": "Rb2 In1 Ag1 I6\n1.0\n0.000000 5.981172 5.981172\n5.981172 0.000000 5.981172\n5.981172 5.981172 0.000000\nRb In Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.751671 0.248329 0.248329 I\n0.248329 0.248329 0.751671 I\n0.248329 0.751671 0.751671 I\n0.248329 0.751671 0.248329 I\n0.751671 0.248329 0.751671 I\n0.751671 0.751671 0.248329 I\n",
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},
{
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],
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"formula_full": "Rb2 In1 As1 Br6",
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{
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{
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"structure_string": "Rb2 In1 As1 F6\n1.0\n0.000000 4.683497 4.683497\n4.683497 0.000000 4.683497\n4.683497 4.683497 0.000000\nRb In As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.778066 0.221934 0.221934 F\n0.221934 0.221934 0.778066 F\n0.221934 0.778066 0.778066 F\n0.221934 0.778066 0.221934 F\n0.778066 0.221934 0.778066 F\n0.778066 0.778066 0.221934 F\n",
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"formula_full": "Rb2 In1 As1 F6",
"formula_reduced": "Rb2InAsF6",
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"energy": -46.188051,
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"updated_at": "2021-11-28T01:34:50.197000Z",
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}