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{
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"results": [
{
"id": "mp-1228664",
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"structure_string": "Ba12 Ga16 Sb20\n1.0\n4.493311 0.000000 0.000000\n0.000000 13.537056 0.000000\n0.000000 0.000000 25.685977\nBa Ga Sb\n12 16 20\ndirect\n0.500000 0.070888 0.003663 Ba\n0.500000 0.578835 0.491429 Ba\n0.000000 0.421165 0.991429 Ba\n0.000000 0.929112 0.503663 Ba\n0.000000 0.272668 0.380609 Ba\n0.000000 0.762512 0.114976 Ba\n0.500000 0.237488 0.614976 Ba\n0.500000 0.727332 0.880610 Ba\n0.500000 0.111123 0.222002 Ba\n0.500000 0.602423 0.282008 Ba\n0.000000 0.397577 0.782008 Ba\n0.000000 0.888877 0.722002 Ba\n0.000000 0.346578 0.224289 Ga\n0.000000 0.847088 0.278713 Ga\n0.500000 0.152912 0.778713 Ga\n0.500000 0.653422 0.724289 Ga\n0.500000 0.009658 0.384212 Ga\n0.500000 0.496378 0.115139 Ga\n0.000000 0.503622 0.615139 Ga\n0.000000 0.990342 0.884212 Ga\n0.000000 0.252547 0.137342 Ga\n0.000000 0.741923 0.364991 Ga\n0.500000 0.258077 0.864991 Ga\n0.500000 0.747453 0.637342 Ga\n0.500000 0.933920 0.116396 Ga\n0.000000 0.066080 0.616396 Ga\n0.000000 0.664027 0.971626 Ga\n0.500000 0.335973 0.471626 Ga\n0.500000 0.837216 0.216787 Sb\n0.500000 0.342136 0.283902 Sb\n0.000000 0.657864 0.783902 Sb\n0.000000 0.162784 0.716787 Sb\n0.500000 0.303760 0.082390 Sb\n0.500000 0.811523 0.414868 Sb\n0.000000 0.188477 0.914868 Sb\n0.000000 0.696240 0.582390 Sb\n0.000000 0.052125 0.115375 Sb\n0.000000 0.544464 0.385487 Sb\n0.500000 0.455536 0.885487 Sb\n0.500000 0.947875 0.615375 Sb\n0.500000 0.127193 0.471254 Sb\n0.500000 0.633646 0.035740 Sb\n0.000000 0.366354 0.535740 Sb\n0.000000 0.872807 0.971254 Sb\n0.000000 0.029479 0.323113 Sb\n0.000000 0.525306 0.175549 Sb\n0.500000 0.474694 0.675549 Sb\n0.500000 0.970521 0.823113 Sb\n",
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},
{
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"structure_string": "Ba24 Ga8 Sb24\n1.0\n7.241805 0.000000 0.000000\n0.000000 14.291894 0.000000\n0.000000 0.000000 21.455997\nBa Ga Sb\n24 8 24\ndirect\n0.823102 0.984179 0.750000 Ba\n0.323102 0.515821 0.250000 Ba\n0.676898 0.484179 0.750000 Ba\n0.176898 0.015821 0.250000 Ba\n0.199994 0.264781 0.750000 Ba\n0.699994 0.235219 0.250000 Ba\n0.300006 0.764781 0.750000 Ba\n0.800006 0.735219 0.250000 Ba\n0.195801 0.738048 0.076363 Ba\n0.695801 0.761952 0.923637 Ba\n0.304199 0.238048 0.423637 Ba\n0.804199 0.261952 0.576363 Ba\n0.804199 0.261952 0.923637 Ba\n0.304199 0.238048 0.076363 Ba\n0.695801 0.761952 0.576363 Ba\n0.195801 0.738048 0.423637 Ba\n0.769748 0.008905 0.076438 Ba\n0.269748 0.491095 0.923562 Ba\n0.730252 0.508905 0.423562 Ba\n0.230252 0.991095 0.576438 Ba\n0.230252 0.991095 0.923562 Ba\n0.730252 0.508905 0.076438 Ba\n0.269748 0.491095 0.576438 Ba\n0.769748 0.008905 0.423562 Ba\n0.515406 0.126594 0.836720 Ga\n0.015406 0.373406 0.163280 Ga\n0.484594 0.873406 0.336720 Ga\n0.515406 0.126594 0.663280 Ga\n0.015406 0.373406 0.336720 Ga\n0.984594 0.626594 0.836720 Ga\n0.484594 0.873406 0.163280 Ga\n0.984594 0.626594 0.663280 Ga\n0.800533 0.258077 0.089644 Sb\n0.268466 0.987990 0.410457 Sb\n0.731534 0.012010 0.910457 Sb\n0.231534 0.487990 0.089543 Sb\n0.231534 0.487990 0.410457 Sb\n0.731534 0.012010 0.589543 Sb\n0.268466 0.987990 0.089543 Sb\n0.768466 0.512010 0.589543 Sb\n0.319872 0.018642 0.750000 Sb\n0.819872 0.481358 0.250000 Sb\n0.180128 0.518642 0.750000 Sb\n0.680128 0.981358 0.250000 Sb\n0.709094 0.232646 0.750000 Sb\n0.209094 0.267354 0.250000 Sb\n0.790906 0.732646 0.750000 Sb\n0.290906 0.767354 0.250000 Sb\n0.300533 0.241923 0.910356 Sb\n0.699467 0.758077 0.410356 Sb\n0.199467 0.741923 0.589644 Sb\n0.199467 0.741923 0.910356 Sb\n0.800533 0.258077 0.410356 Sb\n0.300533 0.241923 0.589644 Sb\n0.768466 0.512010 0.910457 Sb\n0.699467 0.758077 0.089644 Sb\n",
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"formula_full": "Ba24 Ga8 Sb24",
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"updated_at": "2021-11-28T01:37:13.926000Z",
"spacegroup": 62
},
{
"id": "mp-28314",
"created_at": "2022-09-04T14:43:05.724775Z",
"structure_string": "Ba14 Ga8 Sb18\n1.0\n7.224715 0.000000 0.000000\n0.000000 10.987572 0.000000\n0.000000 0.000000 18.385337\nBa Ga Sb\n14 8 18\ndirect\n0.923645 0.500000 0.000000 Ba\n0.076355 0.000000 0.500000 Ba\n0.457519 0.270983 0.375531 Ba\n0.457519 0.729017 0.624469 Ba\n0.542481 0.770983 0.124469 Ba\n0.542481 0.229017 0.875531 Ba\n0.542481 0.229017 0.124469 Ba\n0.542481 0.770983 0.875531 Ba\n0.457519 0.729017 0.375531 Ba\n0.457519 0.270983 0.624469 Ba\n0.040957 0.000000 0.213995 Ba\n0.040957 0.000000 0.786005 Ba\n0.959043 0.500000 0.286005 Ba\n0.959043 0.500000 0.713995 Ba\n0.057778 0.180563 0.000000 Ga\n0.057778 0.819437 0.000000 Ga\n0.942222 0.319437 0.500000 Ga\n0.942222 0.680563 0.500000 Ga\n0.741200 0.000000 0.372539 Ga\n0.741200 0.000000 0.627461 Ga\n0.258800 0.500000 0.127461 Ga\n0.258800 0.500000 0.872539 Ga\n0.479367 0.500000 0.757069 Sb\n0.479367 0.500000 0.242931 Sb\n0.954538 0.789792 0.367783 Sb\n0.954538 0.210208 0.632217 Sb\n0.045462 0.289792 0.132217 Sb\n0.045462 0.710208 0.867783 Sb\n0.520633 0.000000 0.257069 Sb\n0.520633 0.000000 0.742931 Sb\n0.211729 0.500000 0.500000 Sb\n0.788271 0.000000 0.000000 Sb\n0.669596 0.500000 0.500000 Sb\n0.330404 0.000000 0.000000 Sb\n0.456188 0.500000 0.000000 Sb\n0.543812 0.000000 0.500000 Sb\n0.954538 0.789792 0.632217 Sb\n0.954538 0.210208 0.367783 Sb\n0.045462 0.289792 0.867783 Sb\n0.045462 0.710208 0.132217 Sb\n",
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"elements": [
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"formula_full": "Ba14 Ga8 Sb18",
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"updated_at": "2021-11-28T01:36:09.032000Z",
"spacegroup": 59
},
{
"id": "mp-849286",
"created_at": "2022-09-04T14:40:26.575151Z",
"structure_string": "Ba12 Ga24 S48\n1.0\n12.840233 0.000000 0.000000\n0.000000 12.840233 0.000000\n0.000000 0.000000 12.840233\nBa Ga S\n12 24 48\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.128094 0.871906 0.371906 Ba\n0.128094 0.628094 0.871906 Ba\n0.371906 0.371906 0.371906 Ba\n0.371906 0.128094 0.871906 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.628094 0.871906 0.128094 Ba\n0.628094 0.628094 0.628094 Ba\n0.871906 0.128094 0.628094 Ba\n0.871906 0.371906 0.128094 Ba\n0.126737 0.195729 0.356921 Ga\n0.126737 0.304271 0.856921 Ga\n0.143079 0.626737 0.195729 Ga\n0.143079 0.873263 0.695729 Ga\n0.195729 0.143079 0.626737 Ga\n0.195729 0.356921 0.126737 Ga\n0.304271 0.856921 0.126737 Ga\n0.304271 0.643079 0.626737 Ga\n0.356921 0.126737 0.195729 Ga\n0.356921 0.373263 0.695729 Ga\n0.373263 0.695729 0.356921 Ga\n0.373263 0.804271 0.856921 Ga\n0.626737 0.195729 0.143079 Ga\n0.626737 0.304271 0.643079 Ga\n0.643079 0.626737 0.304271 Ga\n0.643079 0.873263 0.804271 Ga\n0.695729 0.143079 0.873263 Ga\n0.695729 0.356921 0.373263 Ga\n0.804271 0.643079 0.873263 Ga\n0.804271 0.856921 0.373263 Ga\n0.856921 0.126737 0.304271 Ga\n0.856921 0.373263 0.804271 Ga\n0.873263 0.695729 0.143079 Ga\n0.873263 0.804271 0.643079 Ga\n0.026572 0.076798 0.270535 S\n0.026572 0.423202 0.770535 S\n0.076798 0.270535 0.026572 S\n0.076798 0.229465 0.526572 S\n0.127850 0.362316 0.293251 S\n0.127850 0.137684 0.793251 S\n0.137684 0.793251 0.127850 S\n0.137684 0.706749 0.627850 S\n0.206749 0.627850 0.362316 S\n0.206749 0.872150 0.862316 S\n0.229465 0.526572 0.076798 S\n0.229465 0.973428 0.576798 S\n0.270535 0.026572 0.076798 S\n0.270535 0.473428 0.576798 S\n0.293251 0.127850 0.362316 S\n0.293251 0.372150 0.862316 S\n0.362316 0.293251 0.127850 S\n0.362316 0.206749 0.627850 S\n0.372150 0.862316 0.293251 S\n0.372150 0.637684 0.793251 S\n0.423202 0.729465 0.526572 S\n0.423202 0.770535 0.026572 S\n0.473428 0.576798 0.270535 S\n0.473428 0.923202 0.770535 S\n0.526572 0.076798 0.229465 S\n0.526572 0.423202 0.729465 S\n0.576798 0.270535 0.473428 S\n0.576798 0.229465 0.973428 S\n0.627850 0.362316 0.206749 S\n0.627850 0.137684 0.706749 S\n0.637684 0.706749 0.872150 S\n0.637684 0.793251 0.372150 S\n0.706749 0.627850 0.137684 S\n0.706749 0.872150 0.637684 S\n0.729465 0.526572 0.423202 S\n0.729465 0.973428 0.923202 S\n0.770535 0.026572 0.423202 S\n0.770535 0.473428 0.923202 S\n0.793251 0.127850 0.137684 S\n0.793251 0.372150 0.637684 S\n0.862316 0.206749 0.872150 S\n0.862316 0.293251 0.372150 S\n0.872150 0.637684 0.706749 S\n0.872150 0.862316 0.206749 S\n0.923202 0.729465 0.973428 S\n0.923202 0.770535 0.473428 S\n0.973428 0.576798 0.229465 S\n0.973428 0.923202 0.729465 S\n",
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"formula_full": "Ba12 Ga24 S48",
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{
"id": "mp-28252",
"created_at": "2022-09-04T14:41:59.879005Z",
"structure_string": "Ba20 Ga8 S32\n1.0\n6.140946 -11.383255 0.000000\n6.140946 11.383255 0.000000\n0.000000 0.000000 12.029547\nBa Ga S\n20 8 32\ndirect\n0.007181 0.507181 0.750000 Ba\n0.492819 0.992819 0.250000 Ba\n0.992819 0.492819 0.250000 Ba\n0.507181 0.007181 0.750000 Ba\n0.064049 0.259677 0.505020 Ba\n0.435951 0.240323 0.005020 Ba\n0.759677 0.564049 0.994980 Ba\n0.740323 0.935951 0.494980 Ba\n0.935951 0.740323 0.494980 Ba\n0.564049 0.759677 0.994980 Ba\n0.240323 0.435951 0.005020 Ba\n0.259677 0.064049 0.505020 Ba\n0.394131 0.597044 0.340418 Ba\n0.105869 0.902956 0.840418 Ba\n0.097044 0.894131 0.159582 Ba\n0.402956 0.605869 0.659582 Ba\n0.605869 0.402956 0.659582 Ba\n0.894131 0.097044 0.159582 Ba\n0.902956 0.105869 0.840418 Ba\n0.597044 0.394131 0.340418 Ba\n0.750202 0.249798 0.500000 Ga\n0.749798 0.250202 0.000000 Ga\n0.249798 0.750202 0.500000 Ga\n0.250202 0.749798 0.000000 Ga\n0.187469 0.187469 0.232525 Ga\n0.312531 0.312531 0.732525 Ga\n0.687469 0.687469 0.267475 Ga\n0.812531 0.812531 0.767475 Ga\n0.144839 0.144839 0.041216 S\n0.355161 0.355161 0.541216 S\n0.644839 0.644839 0.458784 S\n0.855161 0.855161 0.958784 S\n0.835985 0.652446 0.741922 S\n0.664015 0.847554 0.241922 S\n0.152446 0.335985 0.758078 S\n0.347554 0.164015 0.258078 S\n0.164015 0.347554 0.258078 S\n0.335985 0.152446 0.758078 S\n0.847554 0.664015 0.241922 S\n0.652446 0.835985 0.741922 S\n0.959319 0.335278 0.003419 S\n0.540681 0.164722 0.503419 S\n0.030815 0.030815 0.348139 S\n0.835278 0.459319 0.496581 S\n0.040681 0.664722 0.996581 S\n0.459319 0.835278 0.496581 S\n0.164722 0.540681 0.503419 S\n0.335278 0.959319 0.003419 S\n0.812758 0.186466 0.352186 S\n0.687242 0.313534 0.852186 S\n0.686466 0.312758 0.147814 S\n0.813534 0.187242 0.647814 S\n0.187242 0.813534 0.647814 S\n0.312758 0.686466 0.147814 S\n0.313534 0.687242 0.852186 S\n0.186466 0.812758 0.352186 S\n0.969185 0.969185 0.651861 S\n0.530815 0.530815 0.151861 S\n0.469185 0.469185 0.848139 S\n0.664722 0.040681 0.996581 S\n",
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{
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{
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{
"id": "mp-18421",
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{
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}