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{
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{
"id": "mp-17344",
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"structure_string": "Rb2 Er4 Cu6 S10\n1.0\n1.966558 -6.956809 0.000000\n1.966558 6.956809 0.000000\n0.000000 0.000000 16.433360\nRb Er Cu S\n2 4 6 10\ndirect\n0.565477 0.434523 0.750000 Rb\n0.434523 0.565477 0.250000 Rb\n0.307918 0.692082 0.592857 Er\n0.692082 0.307918 0.407143 Er\n0.307918 0.692082 0.907143 Er\n0.692082 0.307918 0.092857 Er\n0.083988 0.916012 0.963444 Cu\n0.916012 0.083988 0.036556 Cu\n0.916012 0.083988 0.463444 Cu\n0.845283 0.154717 0.750000 Cu\n0.154717 0.845283 0.250000 Cu\n0.083988 0.916012 0.536556 Cu\n0.668339 0.331661 0.569399 S\n0.331661 0.668339 0.430601 S\n0.331661 0.668339 0.069399 S\n0.668339 0.331661 0.930601 S\n0.738175 0.261825 0.250000 S\n0.261825 0.738175 0.750000 S\n0.061901 0.938099 0.113302 S\n0.061901 0.938099 0.386698 S\n0.938099 0.061901 0.886698 S\n0.938099 0.061901 0.613302 S\n",
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{
"id": "mp-16884",
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"structure_string": "Rb2 Er4 Cu6 Se10\n1.0\n2.054214 -7.269235 0.000000\n2.054214 7.269235 0.000000\n0.000000 0.000000 17.050481\nRb Er Cu Se\n2 4 6 10\ndirect\n0.439093 0.560907 0.250000 Rb\n0.560907 0.439093 0.750000 Rb\n0.692010 0.307990 0.092207 Er\n0.307990 0.692010 0.907793 Er\n0.307990 0.692010 0.592207 Er\n0.692010 0.307990 0.407793 Er\n0.915621 0.084379 0.029848 Cu\n0.084379 0.915621 0.970152 Cu\n0.084379 0.915621 0.529848 Cu\n0.915621 0.084379 0.470152 Cu\n0.158520 0.841480 0.250000 Cu\n0.841480 0.158520 0.750000 Cu\n0.939540 0.060460 0.883786 Se\n0.060460 0.939540 0.116214 Se\n0.060460 0.939540 0.383786 Se\n0.939540 0.060460 0.616214 Se\n0.254894 0.745106 0.750000 Se\n0.745106 0.254894 0.250000 Se\n0.667136 0.332864 0.928571 Se\n0.332864 0.667136 0.071429 Se\n0.332864 0.667136 0.428571 Se\n0.667136 0.332864 0.571429 Se\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.043203771091507054,
"volume": 509.2148079713517,
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"formula_full": "Rb2 Er4 Cu6 Se10",
"formula_reduced": "RbEr2Cu3Se5",
"formula_anonymous": "AB2C3D5",
"energy": -108.90393983,
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"updated_at": "2021-11-28T01:34:48.841000Z",
"spacegroup": 63
},
{
"id": "mp-1209244",
"created_at": "2022-09-04T14:41:16.144371Z",
"structure_string": "Rb2 Er2 Mo4 O16\n1.0\n5.221273 5.379493 0.000000\n-5.221273 5.379493 0.000000\n0.000000 5.059993 5.842410\nRb Er Mo O\n2 2 4 16\ndirect\n0.199220 0.800780 0.750000 Rb\n0.800780 0.199220 0.250000 Rb\n0.771132 0.228868 0.750000 Er\n0.228868 0.771132 0.250000 Er\n0.695863 0.696464 0.762585 Mo\n0.304137 0.303536 0.237415 Mo\n0.303536 0.304137 0.737415 Mo\n0.696464 0.695863 0.262585 Mo\n0.614609 0.765796 0.560530 O\n0.385391 0.234204 0.439470 O\n0.234204 0.385391 0.939470 O\n0.765796 0.614609 0.060530 O\n0.382976 0.066000 0.876650 O\n0.617024 0.934000 0.123350 O\n0.934000 0.617024 0.623350 O\n0.066000 0.382976 0.376650 O\n0.586148 0.366512 0.969043 O\n0.413852 0.633488 0.030957 O\n0.633488 0.413852 0.530957 O\n0.366512 0.586148 0.469043 O\n0.793257 0.954981 0.691174 O\n0.206743 0.045019 0.308826 O\n0.045019 0.206743 0.808826 O\n0.954981 0.793257 0.191174 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 5.794182618522486,
"density_atomic": 0.0731259408733037,
"volume": 328.2009053610926,
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"formula_full": "Rb2 Er2 Mo4 O16",
"formula_reduced": "RbEr(MoO4)2",
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"energy": -194.2396752,
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"updated_at": "2021-11-28T01:35:19.494000Z",
"spacegroup": 15
},
{
"id": "mp-1209587",
"created_at": "2022-09-04T14:47:42.927756Z",
"structure_string": "Rb4 Er4 Mo8 O32\n1.0\n5.127752 0.000000 0.000000\n0.000000 8.152915 0.000000\n0.000000 0.000000 19.036693\nRb Er Mo O\n4 4 8 32\ndirect\n0.000000 0.750000 0.771023 Rb\n0.000000 0.250000 0.228977 Rb\n0.500000 0.250000 0.728977 Rb\n0.500000 0.750000 0.271023 Rb\n0.000000 0.750000 0.006394 Er\n0.000000 0.250000 0.993606 Er\n0.500000 0.250000 0.493606 Er\n0.500000 0.750000 0.506394 Er\n0.023995 0.515560 0.402275 Mo\n0.976005 0.484440 0.597725 Mo\n0.476005 0.015560 0.097725 Mo\n0.976005 0.984440 0.402275 Mo\n0.523995 0.984440 0.902275 Mo\n0.023995 0.015560 0.597725 Mo\n0.523995 0.484440 0.097725 Mo\n0.476005 0.515560 0.902275 Mo\n0.092713 0.974851 0.315909 O\n0.907287 0.025149 0.684091 O\n0.407287 0.474851 0.184091 O\n0.907287 0.525149 0.315909 O\n0.592713 0.525149 0.815909 O\n0.092713 0.474851 0.684091 O\n0.592713 0.025149 0.184091 O\n0.407287 0.974851 0.815909 O\n0.265399 0.838798 0.095227 O\n0.734601 0.161202 0.904773 O\n0.234601 0.338798 0.404773 O\n0.734601 0.661202 0.095227 O\n0.765399 0.661202 0.595227 O\n0.265399 0.338798 0.904773 O\n0.765399 0.161202 0.404773 O\n0.234601 0.838798 0.595227 O\n0.246074 0.506063 0.035166 O\n0.753926 0.493937 0.964834 O\n0.253926 0.006063 0.464834 O\n0.753926 0.993937 0.035166 O\n0.746074 0.993937 0.535166 O\n0.246074 0.006063 0.964834 O\n0.746074 0.493937 0.464834 O\n0.253926 0.506063 0.535166 O\n0.243511 0.689450 0.412721 O\n0.756489 0.310550 0.587279 O\n0.256489 0.189450 0.087279 O\n0.756489 0.810550 0.412721 O\n0.743511 0.810550 0.912721 O\n0.243511 0.189450 0.587279 O\n0.743511 0.310550 0.087279 O\n0.256489 0.689450 0.912721 O\n",
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"elements": [
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],
"chemical_system": "Er-Mo-O-Rb",
"density": 4.778928314369524,
"density_atomic": 0.06031284347807729,
"volume": 795.8503899330696,
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"formula_full": "Rb4 Er4 Mo8 O32",
"formula_reduced": "RbEr(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -389.72122809000007,
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},
{
"id": "mp-1199670",
"created_at": "2022-09-04T14:46:55.438682Z",
"structure_string": "Rb10 Er2 Mo8 O32\n1.0\n8.111946 0.000000 0.000000\n0.000000 11.428765 0.000000\n0.000000 4.640777 10.687851\nRb Er Mo O\n10 2 8 32\ndirect\n0.385150 0.250000 0.500000 Rb\n0.614850 0.750000 0.500000 Rb\n0.350709 0.841760 0.107056 Rb\n0.350709 0.658240 0.892944 Rb\n0.649291 0.158240 0.892944 Rb\n0.649291 0.341760 0.107056 Rb\n0.868866 0.144615 0.409288 Rb\n0.868866 0.355385 0.590712 Rb\n0.131134 0.855385 0.590712 Rb\n0.131134 0.644615 0.409288 Rb\n0.093642 0.250000 0.000000 Er\n0.906358 0.750000 0.000000 Er\n0.855026 0.943280 0.196780 Mo\n0.855026 0.556720 0.803220 Mo\n0.144974 0.056720 0.803220 Mo\n0.144974 0.443280 0.196780 Mo\n0.349524 0.053565 0.285228 Mo\n0.349524 0.446435 0.714772 Mo\n0.650476 0.946435 0.714772 Mo\n0.650476 0.553565 0.285228 Mo\n0.893597 0.114872 0.117342 O\n0.893597 0.385128 0.882658 O\n0.106403 0.885128 0.882658 O\n0.106403 0.614872 0.117342 O\n0.904641 0.893228 0.357581 O\n0.904641 0.606772 0.642419 O\n0.095359 0.106772 0.642419 O\n0.095359 0.393228 0.357581 O\n0.972260 0.851663 0.126705 O\n0.972260 0.648337 0.873295 O\n0.027740 0.148337 0.873295 O\n0.027740 0.351663 0.126705 O\n0.644089 0.914878 0.178056 O\n0.644089 0.585122 0.821944 O\n0.355911 0.085122 0.821944 O\n0.355911 0.414878 0.178056 O\n0.292026 0.120419 0.116375 O\n0.292026 0.379581 0.883625 O\n0.707974 0.879581 0.883625 O\n0.707974 0.620419 0.116375 O\n0.332719 0.883569 0.350977 O\n0.332719 0.616431 0.649023 O\n0.667281 0.116431 0.649023 O\n0.667281 0.383569 0.350977 O\n0.551013 0.101213 0.312414 O\n0.551013 0.398787 0.687586 O\n0.448987 0.898787 0.687586 O\n0.448987 0.601213 0.312414 O\n0.207349 0.109792 0.367628 O\n0.207349 0.390208 0.632372 O\n0.792651 0.890208 0.632372 O\n0.792651 0.609792 0.367628 O\n",
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"elements": [
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],
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"formula_full": "Rb10 Er2 Mo8 O32",
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{
"id": "mp-1196892",
"created_at": "2022-09-04T14:41:36.854016Z",
"structure_string": "Rb4 Er4 P8 O28\n1.0\n11.016253 0.000000 0.000000\n0.000000 7.798441 0.000000\n0.000000 2.339978 8.433505\nRb Er P O\n4 4 8 28\ndirect\n0.180089 0.309818 0.560700 Rb\n0.680089 0.690182 0.939300 Rb\n0.819911 0.690182 0.439300 Rb\n0.319911 0.309818 0.060700 Rb\n0.097644 0.733868 0.748648 Er\n0.597644 0.266132 0.751352 Er\n0.902356 0.266132 0.251352 Er\n0.402356 0.733868 0.248648 Er\n0.100046 0.630587 0.183738 P\n0.600046 0.369413 0.316262 P\n0.899954 0.369413 0.816262 P\n0.399954 0.630587 0.683738 P\n0.137899 0.937033 0.314425 P\n0.637899 0.062967 0.185575 P\n0.862101 0.062967 0.685575 P\n0.362101 0.937033 0.814425 P\n0.091195 0.643295 0.007988 O\n0.591195 0.356705 0.492012 O\n0.908805 0.356705 0.992012 O\n0.408805 0.643295 0.507988 O\n0.110604 0.832731 0.485088 O\n0.610604 0.167269 0.014912 O\n0.889396 0.167269 0.514912 O\n0.389396 0.832731 0.985088 O\n0.920911 0.878378 0.732804 O\n0.420911 0.121622 0.767196 O\n0.079089 0.121622 0.267196 O\n0.579089 0.878378 0.232804 O\n0.272281 0.577409 0.751642 O\n0.772281 0.422591 0.748358 O\n0.727719 0.422591 0.248358 O\n0.227719 0.577409 0.251642 O\n0.997824 0.491645 0.718450 O\n0.497824 0.508355 0.781550 O\n0.002176 0.508355 0.281550 O\n0.502176 0.491645 0.218450 O\n0.226727 0.948424 0.771819 O\n0.726727 0.051576 0.728181 O\n0.773273 0.051576 0.228181 O\n0.273273 0.948424 0.271819 O\n0.070735 0.829478 0.200913 O\n0.570735 0.170522 0.299087 O\n0.929265 0.170522 0.799087 O\n0.429265 0.829478 0.700913 O\n",
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"formula_full": "Rb4 Er4 P8 O28",
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"energy": -342.87393727,
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"updated_at": "2021-11-28T01:35:26.582000Z",
"spacegroup": 14
},
{
"id": "mp-1103762",
"created_at": "2022-09-04T14:46:30.925758Z",
"structure_string": "Rb3 Er1 P2 O8\n1.0\n-2.854939 -4.944947 -0.000115\n-2.854980 4.944970 0.000000\n-0.000162 -0.000093 -8.335564\nRb Er P O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.666645 0.333323 0.740649 Rb\n0.333355 0.666677 0.259351 Rb\n0.000000 0.000000 0.000000 Er\n0.666654 0.333327 0.219134 P\n0.333346 0.666673 0.780866 P\n0.368898 0.184449 0.155336 O\n0.815540 0.184449 0.155345 O\n0.815540 0.631091 0.155345 O\n0.631102 0.815551 0.844664 O\n0.184460 0.815551 0.844655 O\n0.184460 0.368909 0.844655 O\n0.666622 0.333311 0.403304 O\n0.333378 0.666689 0.596696 O\n",
"nsites": 14,
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],
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"volume": 235.3572542218253,
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"formula_full": "Rb3 Er1 P2 O8",
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},
{
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{
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{
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}
]
}