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{
"id": "mp-766955",
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"structure_string": "K6 Na2 Mn1 H24 W6 O36\n1.0\n7.275174 -6.596442 0.000000\n7.275174 6.596442 0.000000\n1.294143 0.000000 9.734803\nK Na Mn H W O\n6 2 1 24 6 36\ndirect\n0.667013 0.101497 0.667013 K\n0.898503 0.332987 0.332987 K\n0.667013 0.667013 0.101497 K\n0.332987 0.332987 0.898503 K\n0.101497 0.667013 0.667013 K\n0.332987 0.898503 0.332987 K\n0.739549 0.739548 0.739549 Na\n0.260452 0.260451 0.260451 Na\n0.000000 0.000000 0.000000 Mn\n0.901977 0.526405 0.901977 H\n0.473595 0.098023 0.098023 H\n0.517343 0.157145 0.398114 H\n0.842855 0.482657 0.601886 H\n0.352509 0.036986 0.036986 H\n0.963014 0.647491 0.963014 H\n0.398114 0.157145 0.517343 H\n0.842855 0.601886 0.482657 H\n0.601886 0.482657 0.842855 H\n0.517343 0.398114 0.157145 H\n0.098023 0.098023 0.473595 H\n0.036986 0.036986 0.352509 H\n0.963014 0.963014 0.647491 H\n0.901977 0.901977 0.526405 H\n0.398114 0.517343 0.157145 H\n0.482657 0.601886 0.842855 H\n0.601886 0.842855 0.482657 H\n0.157145 0.398114 0.517343 H\n0.036986 0.352509 0.036986 H\n0.647491 0.963014 0.963014 H\n0.482657 0.842855 0.601886 H\n0.157145 0.517343 0.398114 H\n0.098023 0.473595 0.098023 H\n0.526405 0.901977 0.901977 H\n0.754600 0.000000 0.245400 W\n0.754600 0.245400 0.000000 W\n0.245400 0.000000 0.754600 W\n0.000000 0.245400 0.754600 W\n0.245400 0.754600 0.000000 W\n0.000000 0.754600 0.245400 W\n0.873750 0.100199 0.873750 O\n0.899801 0.126250 0.126250 O\n0.708705 0.125196 0.368045 O\n0.874804 0.291295 0.631955 O\n0.909484 0.348051 0.909484 O\n0.651949 0.090516 0.090516 O\n0.708705 0.368045 0.125196 O\n0.631955 0.291295 0.874804 O\n0.898328 0.627898 0.898328 O\n0.372102 0.101672 0.101672 O\n0.416953 0.156279 0.416953 O\n0.843721 0.583047 0.583047 O\n0.874804 0.631955 0.291295 O\n0.368045 0.125196 0.708705 O\n0.126250 0.126250 0.899801 O\n0.101672 0.101672 0.372102 O\n0.583047 0.583047 0.843721 O\n0.898328 0.898328 0.627898 O\n0.090516 0.090516 0.651949 O\n0.416953 0.416953 0.156279 O\n0.909484 0.909484 0.348051 O\n0.873750 0.873750 0.100199 O\n0.631955 0.874804 0.291295 O\n0.125196 0.368045 0.708705 O\n0.583047 0.843721 0.583047 O\n0.156279 0.416953 0.416953 O\n0.101672 0.372102 0.101672 O\n0.627898 0.898328 0.898328 O\n0.291295 0.631955 0.874804 O\n0.368045 0.708705 0.125196 O\n0.348051 0.909484 0.909484 O\n0.090516 0.651949 0.090516 O\n0.291295 0.874804 0.631955 O\n0.125196 0.708705 0.368045 O\n0.100199 0.873750 0.873750 O\n0.126250 0.899801 0.126250 O\n",
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"density_atomic": 0.08026957572582254,
"volume": 934.3515188890262,
"volume_molar": 7.502395154759353,
"formula_full": "K6 Na2 Mn1 H24 W6 O36",
"formula_reduced": "K6Na2MnH24(WO6)6",
"formula_anonymous": "AB2C6D6E24F36",
"energy": -488.7493960400001,
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"updated_at": "2021-11-28T01:38:30.005000Z",
"spacegroup": 166
},
{
"id": "mp-1223684",
"created_at": "2022-09-04T14:41:49.931758Z",
"structure_string": "K2 Na2 Mg6 Zn4 Si24 O60\n1.0\n5.147719 8.915392 0.000000\n-5.147719 8.915392 0.000000\n0.000000 0.001197 14.440181\nK Na Mg Zn Si O\n2 2 6 4 24 60\ndirect\n0.000118 0.999882 0.500000 K\n0.000031 0.999969 0.000000 K\n0.333401 0.333280 0.250008 Na\n0.666720 0.666599 0.749992 Na\n0.333281 0.333667 0.503809 Mg\n0.333340 0.333311 0.996437 Mg\n0.666689 0.666660 0.003563 Mg\n0.666333 0.666719 0.496191 Mg\n0.500459 0.000038 0.500013 Mg\n0.999962 0.499541 0.499987 Mg\n0.500222 0.499778 0.500000 Zn\n0.499681 0.999996 0.000006 Zn\n0.000004 0.500319 0.999994 Zn\n0.500289 0.499711 0.000000 Zn\n0.352328 0.885446 0.359826 Si\n0.885366 0.762167 0.359860 Si\n0.762410 0.351407 0.359737 Si\n0.351480 0.886275 0.140288 Si\n0.886288 0.762275 0.140291 Si\n0.762230 0.351496 0.140286 Si\n0.237725 0.113712 0.859709 Si\n0.648504 0.237770 0.859714 Si\n0.113725 0.648520 0.859712 Si\n0.237833 0.114634 0.640140 Si\n0.648593 0.237590 0.640263 Si\n0.114554 0.647672 0.640174 Si\n0.650084 0.113190 0.139409 Si\n0.113234 0.236654 0.139381 Si\n0.236717 0.650059 0.139438 Si\n0.649438 0.113876 0.360547 Si\n0.114035 0.236600 0.360568 Si\n0.236408 0.650164 0.360544 Si\n0.763400 0.885965 0.639432 Si\n0.349836 0.763592 0.639456 Si\n0.886124 0.350562 0.639453 Si\n0.763346 0.886766 0.860619 Si\n0.349941 0.763283 0.860562 Si\n0.886810 0.349916 0.860591 Si\n0.274514 0.783305 0.383297 O\n0.782235 0.942046 0.383637 O\n0.942181 0.275716 0.383671 O\n0.274932 0.783141 0.116576 O\n0.783162 0.941953 0.116536 O\n0.941905 0.274937 0.116602 O\n0.058047 0.216838 0.883464 O\n0.725063 0.058095 0.883398 O\n0.216859 0.725068 0.883424 O\n0.057954 0.217765 0.616363 O\n0.724284 0.057819 0.616329 O\n0.216695 0.725486 0.616703 O\n0.726063 0.216180 0.116246 O\n0.216163 0.057741 0.116190 O\n0.057809 0.726027 0.116234 O\n0.726348 0.216048 0.383665 O\n0.217002 0.057742 0.383905 O\n0.057567 0.725297 0.383922 O\n0.942258 0.782998 0.616095 O\n0.274703 0.942433 0.616078 O\n0.783952 0.273652 0.616335 O\n0.942259 0.783837 0.883810 O\n0.273973 0.942191 0.883766 O\n0.783820 0.273937 0.883754 O\n0.494729 0.845580 0.423532 O\n0.845413 0.659710 0.423581 O\n0.660395 0.495436 0.423120 O\n0.495631 0.844129 0.076856 O\n0.844162 0.660202 0.076868 O\n0.660196 0.495644 0.076907 O\n0.339798 0.155838 0.923132 O\n0.504356 0.339804 0.923093 O\n0.155871 0.504369 0.923144 O\n0.340290 0.154587 0.576419 O\n0.504564 0.339605 0.576880 O\n0.154420 0.505271 0.576468 O\n0.501407 0.157744 0.079831 O\n0.157739 0.340852 0.079846 O\n0.340891 0.501375 0.079897 O\n0.502262 0.156231 0.420473 O\n0.156185 0.341571 0.420437 O\n0.340753 0.501462 0.420117 O\n0.658429 0.843815 0.579563 O\n0.498538 0.659247 0.579883 O\n0.843769 0.497738 0.579527 O\n0.659148 0.842261 0.920154 O\n0.498625 0.659109 0.920103 O\n0.842256 0.498593 0.920169 O\n0.392509 0.871900 0.249900 O\n0.871879 0.735736 0.249909 O\n0.735603 0.392384 0.249931 O\n0.264264 0.128121 0.750091 O\n0.607616 0.264397 0.750069 O\n0.128100 0.607491 0.750100 O\n0.601069 0.135370 0.249878 O\n0.135321 0.263480 0.249904 O\n0.263582 0.601214 0.249978 O\n0.736520 0.864679 0.750096 O\n0.398786 0.736418 0.750022 O\n0.864630 0.398931 0.750122 O\n",
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"elements": [
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],
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"formula_full": "K2 Na2 Mg6 Zn4 Si24 O60",
"formula_reduced": "KNaMg3Zn2(Si2O5)6",
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"energy": -748.82120683,
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},
{
"id": "mp-561491",
"created_at": "2022-09-04T14:43:16.359948Z",
"structure_string": "K1 Na1 Mg2 Si4 O10 F2\n1.0\n4.586468 2.675215 0.000000\n-4.586468 2.675215 0.000000\n0.000000 2.053040 10.224546\nK Na Mg Si O F\n1 1 2 4 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 Na\n0.334018 0.665982 0.500000 Mg\n0.665982 0.334018 0.500000 Mg\n0.911040 0.251227 0.772605 Si\n0.748773 0.088960 0.227395 Si\n0.251227 0.911040 0.772605 Si\n0.088960 0.748773 0.227395 Si\n0.322397 0.958959 0.616538 O\n0.051958 0.051958 0.829106 O\n0.060678 0.555511 0.838742 O\n0.939322 0.444489 0.161258 O\n0.677603 0.041041 0.383462 O\n0.948042 0.948042 0.170894 O\n0.958959 0.322397 0.616538 O\n0.444489 0.939322 0.161258 O\n0.041041 0.677603 0.383462 O\n0.555511 0.060678 0.838742 O\n0.405259 0.405259 0.392595 F\n0.594741 0.594741 0.607405 F\n",
"nsites": 20,
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"formula_full": "K1 Na1 Mg2 Si4 O10 F2",
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{
"id": "mp-851120",
"created_at": "2022-09-04T14:47:58.129625Z",
"structure_string": "K2 Na4 Li6 Zr4 Si24 O60\n1.0\n5.233919 -9.065413 0.000000\n5.233919 9.065413 0.000000\n0.000000 0.000000 14.269970\nK Na Li Zr Si O\n2 4 6 4 24 60\ndirect\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.333333 0.666667 0.000000 Na\n0.333333 0.666667 0.500000 Na\n0.666667 0.333333 0.000000 Na\n0.666667 0.333333 0.500000 Na\n0.000000 0.500000 0.250000 Li\n0.000000 0.500000 0.750000 Li\n0.500000 0.500000 0.250000 Li\n0.500000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n0.500000 0.000000 0.750000 Li\n0.333333 0.666667 0.250000 Zr\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.108110 0.761952 0.389005 Si\n0.108110 0.761952 0.610995 Si\n0.238048 0.891890 0.110995 Si\n0.238048 0.891890 0.889005 Si\n0.108110 0.346158 0.110995 Si\n0.108110 0.346158 0.889005 Si\n0.238048 0.346158 0.389005 Si\n0.238048 0.346158 0.610995 Si\n0.653842 0.891890 0.389005 Si\n0.653842 0.891890 0.610995 Si\n0.346158 0.238048 0.110995 Si\n0.346158 0.238048 0.889005 Si\n0.653842 0.761952 0.110995 Si\n0.653842 0.761952 0.889005 Si\n0.346158 0.108110 0.610995 Si\n0.346158 0.108110 0.389005 Si\n0.761952 0.653842 0.389005 Si\n0.761952 0.653842 0.610995 Si\n0.891890 0.653842 0.889005 Si\n0.891890 0.653842 0.110995 Si\n0.761952 0.108110 0.110995 Si\n0.761952 0.108110 0.889005 Si\n0.891890 0.238048 0.389005 Si\n0.891890 0.238048 0.610995 Si\n0.059853 0.788177 0.130614 O\n0.059853 0.788177 0.869386 O\n0.211823 0.940147 0.369386 O\n0.211823 0.940147 0.630614 O\n0.130651 0.730771 0.500000 O\n0.269229 0.869349 0.000000 O\n0.148955 0.661616 0.325570 O\n0.148955 0.661616 0.674430 O\n0.148955 0.487339 0.174430 O\n0.148955 0.487339 0.825570 O\n0.059853 0.271676 0.369386 O\n0.059853 0.271676 0.630614 O\n0.338384 0.851045 0.174430 O\n0.338384 0.851045 0.825570 O\n0.130651 0.399880 0.000000 O\n0.269229 0.399880 0.500000 O\n0.512661 0.851045 0.325570 O\n0.512661 0.851045 0.674430 O\n0.211823 0.271676 0.130614 O\n0.211823 0.271676 0.869386 O\n0.338384 0.487339 0.674430 O\n0.338384 0.487339 0.325570 O\n0.512661 0.661616 0.174430 O\n0.512661 0.661616 0.825570 O\n0.600120 0.869349 0.500000 O\n0.271676 0.211823 0.369386 O\n0.271676 0.211823 0.630614 O\n0.600120 0.730771 0.000000 O\n0.728324 0.940147 0.130614 O\n0.728324 0.940147 0.869386 O\n0.271676 0.059853 0.130614 O\n0.271676 0.059853 0.869386 O\n0.399880 0.269229 0.000000 O\n0.728324 0.788177 0.369386 O\n0.728324 0.788177 0.630614 O\n0.399880 0.130651 0.500000 O\n0.487339 0.338384 0.174430 O\n0.487339 0.338384 0.825570 O\n0.661616 0.512661 0.325570 O\n0.661616 0.512661 0.674430 O\n0.788177 0.728324 0.130614 O\n0.788177 0.728324 0.869386 O\n0.487339 0.148955 0.325570 O\n0.487339 0.148955 0.674430 O\n0.730771 0.600120 0.500000 O\n0.869349 0.600120 0.000000 O\n0.661616 0.148955 0.174430 O\n0.661616 0.148955 0.825570 O\n0.940147 0.728324 0.369386 O\n0.940147 0.728324 0.630614 O\n0.851045 0.512661 0.174430 O\n0.851045 0.512661 0.825570 O\n0.851045 0.338384 0.325570 O\n0.851045 0.338384 0.674430 O\n0.730771 0.130651 0.000000 O\n0.869349 0.269229 0.500000 O\n0.788177 0.059853 0.369386 O\n0.788177 0.059853 0.630614 O\n0.940147 0.211823 0.130614 O\n0.940147 0.211823 0.869386 O\n",
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"formula_full": "K2 Na4 Li6 Zr4 Si24 O60",
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{
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{
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