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{
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{
"id": "mp-1245346",
"created_at": "2022-09-04T14:40:15.239007Z",
"structure_string": "Mn12 Co32 N36\n1.0\n5.825857 0.000000 0.128823\n0.000000 8.424671 0.000000\n-3.710593 0.000000 15.593719\nMn Co N\n12 32 36\ndirect\n0.556710 0.130070 0.740687 Mn\n0.443290 0.630070 0.759313 Mn\n0.443290 0.869930 0.259313 Mn\n0.556710 0.369930 0.240687 Mn\n0.759395 0.822386 0.552842 Mn\n0.240605 0.322386 0.947158 Mn\n0.240605 0.177614 0.447158 Mn\n0.759395 0.677614 0.052842 Mn\n0.731501 0.428790 0.568784 Mn\n0.268499 0.928790 0.931216 Mn\n0.268499 0.571210 0.431216 Mn\n0.731501 0.071210 0.068784 Mn\n0.431297 0.821705 0.103103 Co\n0.568703 0.321705 0.396897 Co\n0.568703 0.178295 0.896897 Co\n0.431297 0.678295 0.603103 Co\n0.559721 0.100288 0.571977 Co\n0.440279 0.600288 0.928023 Co\n0.440279 0.899712 0.428023 Co\n0.559721 0.399712 0.071977 Co\n0.823211 0.885216 0.724914 Co\n0.176789 0.385216 0.775086 Co\n0.176789 0.114784 0.275086 Co\n0.823211 0.614784 0.224914 Co\n0.683266 0.407113 0.717176 Co\n0.316734 0.907113 0.782824 Co\n0.316734 0.592887 0.282824 Co\n0.683266 0.092887 0.217176 Co\n0.747458 0.453726 0.878279 Co\n0.252542 0.953726 0.621721 Co\n0.252542 0.546274 0.121721 Co\n0.747458 0.046274 0.378279 Co\n0.963898 0.115379 0.874080 Co\n0.036102 0.615379 0.625920 Co\n0.036102 0.884621 0.125920 Co\n0.963898 0.384621 0.374080 Co\n0.008624 0.193276 0.641623 Co\n0.991376 0.693276 0.858377 Co\n0.991376 0.806724 0.358377 Co\n0.008624 0.306724 0.141623 Co\n0.180632 0.384265 0.548990 Co\n0.819368 0.884265 0.951010 Co\n0.819368 0.615735 0.451010 Co\n0.180632 0.115735 0.048990 Co\n0.476985 0.451791 0.613384 N\n0.523015 0.951791 0.886616 N\n0.523015 0.548209 0.386616 N\n0.476985 0.048209 0.113384 N\n0.500951 0.312188 0.790342 N\n0.499049 0.812188 0.709658 N\n0.499049 0.687812 0.209658 N\n0.500951 0.187812 0.290342 N\n0.848528 0.107801 0.971607 N\n0.151472 0.607801 0.528393 N\n0.151472 0.892199 0.028393 N\n0.848528 0.392199 0.471607 N\n0.456210 0.874860 0.545629 N\n0.543790 0.374860 0.954371 N\n0.543790 0.125140 0.454371 N\n0.456210 0.625140 0.045629 N\n0.766214 0.088202 0.674265 N\n0.233786 0.588202 0.825735 N\n0.233786 0.911798 0.325735 N\n0.766214 0.411798 0.174265 N\n0.970805 0.409949 0.665423 N\n0.029195 0.909949 0.834577 N\n0.029195 0.590051 0.334577 N\n0.970805 0.090051 0.165423 N\n0.998644 0.327992 0.858166 N\n0.001356 0.827992 0.641834 N\n0.001356 0.672008 0.141834 N\n0.998644 0.172008 0.358166 N\n0.207613 0.152335 0.554276 N\n0.792387 0.652335 0.945724 N\n0.792387 0.847665 0.445724 N\n0.207613 0.347665 0.054276 N\n0.249191 0.086843 0.713265 N\n0.750809 0.586843 0.786735 N\n0.750809 0.913157 0.286735 N\n0.249191 0.413157 0.213265 N\n",
"nsites": 80,
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"elements": [
"Mn",
"Co",
"N"
],
"chemical_system": "Co-Mn-N",
"density": 6.581368031667438,
"density_atomic": 0.103979654625787,
"volume": 769.3812822124913,
"volume_molar": 5.791652974491134,
"formula_full": "Mn12 Co32 N36",
"formula_reduced": "Mn3Co8N9",
"formula_anonymous": "A3B8C9",
"energy": -635.97504594,
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"energy_uncorrected": -622.97904594,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9942068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.578000Z",
"spacegroup": 14
},
{
"id": "mp-1245542",
"created_at": "2022-09-04T14:47:21.928864Z",
"structure_string": "Mn12 Pb32 N36\n1.0\n7.650848 0.000000 0.133554\n0.000000 11.578342 0.000000\n-4.986266 0.000000 17.964476\nMn Pb N\n12 32 36\ndirect\n0.638561 0.109085 0.759651 Mn\n0.361439 0.609085 0.740349 Mn\n0.361439 0.890915 0.240349 Mn\n0.638561 0.390915 0.259651 Mn\n0.823172 0.866489 0.571306 Mn\n0.176828 0.366489 0.928694 Mn\n0.176828 0.133511 0.428694 Mn\n0.823172 0.633511 0.071306 Mn\n0.770597 0.314298 0.562068 Mn\n0.229403 0.814298 0.937932 Mn\n0.229403 0.685702 0.437932 Mn\n0.770597 0.185702 0.062068 Mn\n0.489612 0.940827 0.105956 Pb\n0.510388 0.440827 0.394044 Pb\n0.510388 0.059173 0.894044 Pb\n0.489612 0.559173 0.605956 Pb\n0.510666 0.116469 0.587336 Pb\n0.489334 0.616469 0.912664 Pb\n0.489334 0.883531 0.412664 Pb\n0.510666 0.383531 0.087336 Pb\n0.708251 0.824990 0.726425 Pb\n0.291749 0.324990 0.773575 Pb\n0.291749 0.175010 0.273575 Pb\n0.708251 0.675010 0.226425 Pb\n0.760520 0.346300 0.724579 Pb\n0.239480 0.846300 0.775421 Pb\n0.239480 0.653700 0.275421 Pb\n0.760520 0.153700 0.224579 Pb\n0.741325 0.337324 0.916211 Pb\n0.258675 0.837324 0.583789 Pb\n0.258675 0.662676 0.083789 Pb\n0.741325 0.162676 0.416211 Pb\n0.008560 0.088147 0.831311 Pb\n0.991440 0.588147 0.668689 Pb\n0.991440 0.911853 0.168689 Pb\n0.008560 0.411853 0.331311 Pb\n0.993522 0.091395 0.626175 Pb\n0.006478 0.591395 0.873825 Pb\n0.006478 0.908605 0.373825 Pb\n0.993522 0.408605 0.126175 Pb\n0.124253 0.355995 0.528654 Pb\n0.875747 0.855995 0.971346 Pb\n0.875747 0.644005 0.471346 Pb\n0.124253 0.144005 0.028654 Pb\n0.582098 0.336351 0.594232 N\n0.417902 0.836351 0.905768 N\n0.417902 0.663649 0.405768 N\n0.582098 0.163649 0.094232 N\n0.573147 0.229311 0.804606 N\n0.426853 0.729311 0.695394 N\n0.426853 0.770689 0.195394 N\n0.573147 0.270689 0.304606 N\n0.778749 0.150993 0.971183 N\n0.221251 0.650993 0.528817 N\n0.221251 0.849007 0.028817 N\n0.778749 0.349007 0.471183 N\n0.629711 0.890115 0.595140 N\n0.370289 0.390115 0.904860 N\n0.370289 0.109885 0.404860 N\n0.629711 0.609885 0.095140 N\n0.809623 0.132209 0.712680 N\n0.190377 0.632209 0.787320 N\n0.190377 0.867791 0.287320 N\n0.809623 0.367791 0.212680 N\n0.972656 0.332876 0.624380 N\n0.027344 0.832876 0.875620 N\n0.027344 0.667124 0.375620 N\n0.972656 0.167124 0.124380 N\n0.021797 0.286586 0.868573 N\n0.978203 0.786586 0.631427 N\n0.978203 0.713414 0.131427 N\n0.021797 0.213414 0.368573 N\n0.186570 0.158037 0.520565 N\n0.813430 0.658037 0.979435 N\n0.813430 0.841963 0.479435 N\n0.186570 0.341963 0.020565 N\n0.554867 0.979226 0.775893 N\n0.445133 0.479226 0.724107 N\n0.445133 0.020774 0.224107 N\n0.554867 0.520774 0.275893 N\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"N"
],
"chemical_system": "Mn-N-Pb",
"density": 8.093458682370638,
"density_atomic": 0.05002882928492063,
"volume": 1599.0779944977262,
"volume_molar": 12.037340961354767,
"formula_full": "Mn12 Pb32 N36",
"formula_reduced": "Mn3Pb8N9",
"formula_anonymous": "A3B8C9",
"energy": -509.42851576,
"energy_per_atom": -6.367856446999999,
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"updated_at": "2021-11-28T01:38:02.446000Z",
"spacegroup": 14
},
{
"id": "mp-1224112",
"created_at": "2022-09-04T14:46:32.813883Z",
"structure_string": "Ho8 Al3 Ge9\n1.0\n2.036918 5.260867 0.000000\n-2.036918 5.260867 0.000000\n0.000000 3.565564 19.817582\nHo Al Ge\n8 3 9\ndirect\n0.464625 0.464625 0.678428 Ho\n0.709179 0.709179 0.929194 Ho\n0.965691 0.965691 0.178720 Ho\n0.214896 0.214896 0.428073 Ho\n0.785104 0.785104 0.571927 Ho\n0.034309 0.034309 0.821280 Ho\n0.290821 0.290821 0.070806 Ho\n0.535375 0.535375 0.321572 Ho\n0.250178 0.250178 0.250511 Al\n0.500000 0.500000 0.500000 Al\n0.749822 0.749822 0.749489 Al\n0.178689 0.178689 0.678273 Ge\n0.423999 0.423999 0.925288 Ge\n0.681891 0.681891 0.179900 Ge\n0.929181 0.929181 0.428456 Ge\n0.070819 0.070819 0.571544 Ge\n0.318109 0.318109 0.820100 Ge\n0.576001 0.576001 0.074712 Ge\n0.821311 0.821311 0.321727 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 20,
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"elements": [
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"Al",
"Ge"
],
"chemical_system": "Al-Ge-Ho",
"density": 8.030990758622677,
"density_atomic": 0.04708889156256573,
"volume": 424.72862147172316,
"volume_molar": 12.788877716517376,
"formula_full": "Ho8 Al3 Ge9",
"formula_reduced": "Ho8(AlGe3)3",
"formula_anonymous": "A3B8C9",
"energy": -104.07367032,
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"updated_at": "2021-11-28T01:37:36.297000Z",
"spacegroup": 12
},
{
"id": "mp-567532",
"created_at": "2022-09-04T14:43:17.241012Z",
"structure_string": "Sr32 Mn12 N36\n1.0\n10.692490 0.000000 0.000000\n0.000000 7.601108 0.000000\n0.000000 5.288987 18.198632\nSr Mn N\n32 12 36\ndirect\n0.626911 0.519336 0.422973 Sr\n0.629881 0.809134 0.550717 Sr\n0.379554 0.785263 0.065101 Sr\n0.373089 0.480664 0.577027 Sr\n0.125684 0.519565 0.417252 Sr\n0.122568 0.928876 0.143877 Sr\n0.877432 0.071124 0.856123 Sr\n0.120446 0.785263 0.565101 Sr\n0.630264 0.254579 0.729852 Sr\n0.373119 0.277534 0.218899 Sr\n0.873119 0.722466 0.281101 Sr\n0.626881 0.722466 0.781101 Sr\n0.379565 0.010440 0.854429 Sr\n0.874316 0.480435 0.582748 Sr\n0.130264 0.745421 0.770148 Sr\n0.879554 0.214737 0.434899 Sr\n0.126881 0.277534 0.718899 Sr\n0.869736 0.254579 0.229852 Sr\n0.370119 0.190866 0.449283 Sr\n0.620435 0.989560 0.145571 Sr\n0.620446 0.214737 0.934899 Sr\n0.870119 0.809134 0.050717 Sr\n0.622568 0.071124 0.356123 Sr\n0.625684 0.480435 0.082748 Sr\n0.129881 0.190866 0.949283 Sr\n0.126911 0.480664 0.077027 Sr\n0.377432 0.928876 0.643877 Sr\n0.120435 0.010440 0.354429 Sr\n0.873089 0.519336 0.922973 Sr\n0.879565 0.989560 0.645571 Sr\n0.374316 0.519565 0.917252 Sr\n0.369736 0.745421 0.270148 Sr\n0.369544 0.201742 0.063267 Mn\n0.130456 0.201742 0.563267 Mn\n0.628265 0.454987 0.248784 Mn\n0.119794 0.796266 0.931092 Mn\n0.869544 0.798258 0.436733 Mn\n0.871735 0.454987 0.748784 Mn\n0.128265 0.545013 0.251216 Mn\n0.880206 0.203734 0.068908 Mn\n0.371735 0.545013 0.751216 Mn\n0.630456 0.798258 0.936733 Mn\n0.380206 0.796266 0.431092 Mn\n0.619794 0.203734 0.568908 Mn\n0.128041 0.151172 0.480112 N\n0.380195 0.424116 0.066332 N\n0.628041 0.848828 0.019888 N\n0.115411 0.743510 0.283099 N\n0.124956 0.991646 0.853199 N\n0.862058 0.974433 0.353411 N\n0.382164 0.830652 0.518203 N\n0.880195 0.575884 0.433668 N\n0.234175 0.582027 0.181113 N\n0.617836 0.169348 0.481797 N\n0.637942 0.974433 0.853411 N\n0.371959 0.151172 0.980112 N\n0.123221 0.573641 0.923193 N\n0.765825 0.417973 0.818887 N\n0.876779 0.426359 0.076807 N\n0.871959 0.848828 0.519888 N\n0.734175 0.417973 0.318887 N\n0.137942 0.025567 0.646589 N\n0.437636 0.344439 0.800470 N\n0.623221 0.426359 0.576807 N\n0.615411 0.256490 0.216901 N\n0.875044 0.008354 0.146801 N\n0.362058 0.025567 0.146589 N\n0.882164 0.169348 0.981797 N\n0.562364 0.655561 0.199530 N\n0.062364 0.344439 0.300470 N\n0.619805 0.575884 0.933668 N\n0.119805 0.424116 0.566332 N\n0.117836 0.830652 0.018203 N\n0.937636 0.655561 0.699530 N\n0.375044 0.991646 0.353199 N\n0.376779 0.573641 0.423193 N\n0.624956 0.008354 0.646801 N\n0.384589 0.743510 0.783099 N\n0.884589 0.256490 0.716901 N\n0.265825 0.582027 0.681113 N\n",
"nsites": 80,
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"elements": [
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"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.454036503176653,
"density_atomic": 0.05408732311573229,
"volume": 1479.0896533892344,
"volume_molar": 11.134107611711977,
"formula_full": "Sr32 Mn12 N36",
"formula_reduced": "Sr8(MnN3)3",
"formula_anonymous": "A3B8C9",
"energy": -535.31003133,
"energy_per_atom": -6.691375391625,
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"updated_at": "2021-11-28T01:36:06.099000Z",
"spacegroup": 14
},
{
"id": "mp-1202782",
"created_at": "2022-09-04T14:43:24.366102Z",
"structure_string": "Hg6 Pd16 Se18\n1.0\n6.573887 0.000000 0.000000\n0.000000 7.381799 0.000000\n0.000000 0.000000 17.094488\nHg Pd Se\n6 16 18\ndirect\n0.120738 0.500000 0.294653 Hg\n0.120738 0.500000 0.705347 Hg\n0.879262 0.000000 0.205347 Hg\n0.879262 0.000000 0.794653 Hg\n0.293824 0.500000 0.000000 Hg\n0.706176 0.000000 0.500000 Hg\n0.533758 0.500000 0.763986 Pd\n0.533758 0.500000 0.236014 Pd\n0.466242 0.000000 0.736014 Pd\n0.466242 0.000000 0.263986 Pd\n0.963074 0.261701 0.411323 Pd\n0.963074 0.738299 0.411323 Pd\n0.963074 0.261701 0.588677 Pd\n0.963074 0.738299 0.588677 Pd\n0.036926 0.238299 0.088677 Pd\n0.036926 0.761701 0.088677 Pd\n0.036926 0.238299 0.911323 Pd\n0.036926 0.761701 0.911323 Pd\n0.401024 0.500000 0.414923 Pd\n0.401024 0.500000 0.585077 Pd\n0.598976 0.000000 0.085077 Pd\n0.598976 0.000000 0.914923 Pd\n0.616693 0.265284 0.340417 Se\n0.616693 0.734716 0.340417 Se\n0.616693 0.265284 0.659583 Se\n0.616693 0.734716 0.659583 Se\n0.383307 0.234716 0.159583 Se\n0.383307 0.765284 0.159583 Se\n0.383307 0.234716 0.840417 Se\n0.383307 0.765284 0.840417 Se\n0.894101 0.500000 0.833247 Se\n0.894101 0.500000 0.166753 Se\n0.105899 0.000000 0.666753 Se\n0.105899 0.000000 0.333247 Se\n0.270716 0.756042 0.500000 Se\n0.270716 0.243958 0.500000 Se\n0.729284 0.743958 0.000000 Se\n0.729284 0.256042 0.000000 Se\n0.806445 0.500000 0.500000 Se\n0.193555 0.000000 0.000000 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Hg",
"Pd",
"Se"
],
"chemical_system": "Hg-Pd-Se",
"density": 8.662627512025944,
"density_atomic": 0.04821913812179374,
"volume": 829.5461420103875,
"volume_molar": 12.489109085253757,
"formula_full": "Hg6 Pd16 Se18",
"formula_reduced": "Hg3Pd8Se9",
"formula_anonymous": "A3B8C9",
"energy": -168.74291573,
"energy_per_atom": -4.21857289325,
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"updated_at": "2021-11-28T01:36:19.427000Z",
"spacegroup": 59
},
{
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{
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"structure_string": "Ba32 Mn12 N36\n1.0\n8.069799 0.000000 0.083312\n0.000000 11.283158 0.000000\n-5.401665 0.000000 19.174439\nBa Mn N\n32 12 36\ndirect\n0.518780 0.874173 0.077480 Ba\n0.481220 0.374173 0.422520 Ba\n0.481220 0.125827 0.922520 Ba\n0.518780 0.625827 0.577480 Ba\n0.514312 0.126311 0.586020 Ba\n0.485688 0.626311 0.913980 Ba\n0.485688 0.873689 0.413980 Ba\n0.514312 0.373689 0.086020 Ba\n0.718830 0.861750 0.721283 Ba\n0.281170 0.361750 0.778717 Ba\n0.281170 0.138250 0.278717 Ba\n0.718830 0.638250 0.221283 Ba\n0.739261 0.385151 0.730716 Ba\n0.260739 0.885151 0.769284 Ba\n0.260739 0.614849 0.269284 Ba\n0.739261 0.114849 0.230716 Ba\n0.793431 0.374635 0.942525 Ba\n0.206569 0.874635 0.557475 Ba\n0.206569 0.625365 0.057475 Ba\n0.793431 0.125365 0.442525 Ba\n0.937368 0.127100 0.855761 Ba\n0.062632 0.627100 0.644239 Ba\n0.062632 0.872900 0.144239 Ba\n0.937368 0.372900 0.355761 Ba\n0.002617 0.124788 0.646971 Ba\n0.997383 0.624788 0.853029 Ba\n0.997383 0.875212 0.353029 Ba\n0.002617 0.375212 0.146971 Ba\n0.185333 0.369682 0.549647 Ba\n0.814667 0.869682 0.950353 Ba\n0.814667 0.630318 0.450353 Ba\n0.185333 0.130318 0.049647 Ba\n0.554271 0.139297 0.755097 Mn\n0.445729 0.639297 0.744903 Mn\n0.445729 0.860703 0.244903 Mn\n0.554271 0.360703 0.255097 Mn\n0.798555 0.873566 0.564398 Mn\n0.201445 0.373566 0.935602 Mn\n0.201445 0.126434 0.435602 Mn\n0.798555 0.626434 0.064398 Mn\n0.793137 0.376609 0.567541 Mn\n0.206863 0.876609 0.932459 Mn\n0.206863 0.623391 0.432459 Mn\n0.793137 0.123391 0.067541 Mn\n0.584862 0.376079 0.574305 N\n0.415138 0.876079 0.925695 N\n0.415138 0.623921 0.425695 N\n0.584862 0.123921 0.074305 N\n0.603562 0.241288 0.822357 N\n0.396438 0.741288 0.677643 N\n0.396438 0.758712 0.177643 N\n0.603562 0.258712 0.322357 N\n0.832653 0.121806 0.985534 N\n0.167347 0.621806 0.514466 N\n0.167347 0.878194 0.014466 N\n0.832653 0.378194 0.485534 N\n0.590724 0.878300 0.568772 N\n0.409276 0.378300 0.931228 N\n0.409276 0.121700 0.431228 N\n0.590724 0.621700 0.068772 N\n0.732369 0.113303 0.721529 N\n0.267631 0.613303 0.778471 N\n0.267631 0.886697 0.278471 N\n0.732369 0.386697 0.221529 N\n0.969690 0.379382 0.640250 N\n0.030310 0.879382 0.859750 N\n0.030310 0.620618 0.359750 N\n0.969690 0.120618 0.140250 N\n0.036348 0.372411 0.857987 N\n0.963652 0.872411 0.642013 N\n0.963652 0.627589 0.142013 N\n0.036348 0.127589 0.357987 N\n0.153186 0.126635 0.514788 N\n0.846814 0.626635 0.985212 N\n0.846814 0.873365 0.485212 N\n0.153186 0.373365 0.014788 N\n0.345500 0.123445 0.705544 N\n0.654500 0.623445 0.794456 N\n0.654500 0.876555 0.294456 N\n0.345500 0.376555 0.205544 N\n",
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{
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{
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{
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"structure_string": "Mn12 Cd32 N36\n1.0\n7.014177 0.000000 -0.471757\n0.000000 10.488721 0.000000\n-6.034821 0.000000 17.897482\nMn Cd N\n12 32 36\ndirect\n0.504755 0.090179 0.739438 Mn\n0.495245 0.590179 0.760562 Mn\n0.495245 0.909821 0.260562 Mn\n0.504755 0.409821 0.239438 Mn\n0.858133 0.878734 0.591535 Mn\n0.141867 0.378734 0.908465 Mn\n0.141867 0.121266 0.408465 Mn\n0.858133 0.621266 0.091535 Mn\n0.784332 0.391674 0.571632 Mn\n0.215668 0.891674 0.928368 Mn\n0.215668 0.608326 0.428368 Mn\n0.784332 0.108326 0.071632 Mn\n0.566229 0.924914 0.124759 Cd\n0.433771 0.424914 0.375241 Cd\n0.433771 0.075086 0.875241 Cd\n0.566229 0.575086 0.624759 Cd\n0.572020 0.110025 0.579017 Cd\n0.427980 0.610025 0.920983 Cd\n0.427980 0.889975 0.420983 Cd\n0.572020 0.389975 0.079017 Cd\n0.826555 0.830253 0.761029 Cd\n0.173445 0.330253 0.738971 Cd\n0.173445 0.169746 0.238971 Cd\n0.826555 0.669747 0.261029 Cd\n0.672577 0.358583 0.733448 Cd\n0.327423 0.858583 0.766552 Cd\n0.327423 0.641417 0.266552 Cd\n0.672577 0.141417 0.233448 Cd\n0.673444 0.337044 0.904945 Cd\n0.326556 0.837044 0.595055 Cd\n0.326556 0.662956 0.095055 Cd\n0.673444 0.162956 0.404945 Cd\n0.021031 0.119735 0.858661 Cd\n0.978969 0.619735 0.641339 Cd\n0.978969 0.880265 0.141339 Cd\n0.021031 0.380265 0.358661 Cd\n0.023056 0.108166 0.586203 Cd\n0.976944 0.608166 0.913797 Cd\n0.976944 0.891834 0.413797 Cd\n0.023056 0.391834 0.086203 Cd\n0.223607 0.359140 0.540673 Cd\n0.776393 0.859140 0.959327 Cd\n0.776393 0.640860 0.459327 Cd\n0.223607 0.140860 0.040673 Cd\n0.590611 0.330131 0.601625 N\n0.409389 0.830131 0.898375 N\n0.409389 0.669869 0.398375 N\n0.590611 0.169869 0.101625 N\n0.477600 0.230024 0.786687 N\n0.522400 0.730024 0.713313 N\n0.522400 0.769976 0.213313 N\n0.477600 0.269976 0.286687 N\n0.720863 0.074054 0.978720 N\n0.279137 0.574054 0.521280 N\n0.279137 0.925946 0.021280 N\n0.720863 0.425946 0.478720 N\n0.596396 0.884690 0.556742 N\n0.403604 0.384690 0.943258 N\n0.403604 0.115310 0.443258 N\n0.596396 0.615310 0.056742 N\n0.739215 0.034839 0.773760 N\n0.260785 0.534839 0.726240 N\n0.260785 0.965161 0.226240 N\n0.739215 0.465161 0.273760 N\n0.029497 0.321769 0.612544 N\n0.970503 0.821769 0.887456 N\n0.970503 0.678231 0.387456 N\n0.029497 0.178231 0.112544 N\n0.001809 0.323924 0.814188 N\n0.998191 0.823924 0.685812 N\n0.998191 0.676076 0.185812 N\n0.001809 0.176076 0.314188 N\n0.025897 0.182605 0.467794 N\n0.974103 0.682605 0.032206 N\n0.974103 0.817395 0.532206 N\n0.025897 0.317395 0.967794 N\n0.359959 0.051842 0.646075 N\n0.640041 0.551842 0.853925 N\n0.640041 0.948158 0.353925 N\n0.359959 0.448158 0.146075 N\n",
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"elements": [
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],
"chemical_system": "Cd-Mn-N",
"density": 6.143087204663425,
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},
{
"id": "mp-1216445",
"created_at": "2022-09-04T14:39:13.324605Z",
"structure_string": "V9 Cr3 B8\n1.0\n3.013539 0.000000 0.000000\n0.000000 5.667048 0.000000\n0.000000 0.002585 11.339364\nV Cr B\n9 3 8\ndirect\n0.500000 0.822575 0.090253 V\n0.500000 0.821412 0.588744 V\n0.500000 0.177425 0.909747 V\n0.500000 0.178588 0.411256 V\n0.500000 0.680174 0.837611 V\n0.500000 0.678709 0.340212 V\n0.500000 0.319826 0.162389 V\n0.500000 0.321291 0.659788 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000109 0.749247 Cr\n0.000000 0.999891 0.250753 Cr\n0.000000 0.386552 0.804642 B\n0.000000 0.387510 0.307330 B\n0.000000 0.613448 0.195358 B\n0.000000 0.612490 0.692670 B\n0.000000 0.111278 0.056586 B\n0.000000 0.112597 0.556213 B\n0.000000 0.888722 0.943414 B\n0.000000 0.887403 0.443787 B\n",
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"density": 6.010541631040023,
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"formula_full": "V9 Cr3 B8",
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}
]
}