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{
"id": "mp-1199974",
"created_at": "2022-09-04T14:42:04.521778Z",
"structure_string": "Al24 Pb40 F152\n1.0\n0.000000 0.000000 7.311965\n20.479415 0.000000 -0.000000\n-0.000000 20.479415 0.000000\nAl Pb F\n24 40 152\ndirect\n0.757156 0.750000 0.750000 Al\n0.242844 0.250000 0.250000 Al\n0.251969 0.750000 0.750000 Al\n0.748031 0.250000 0.250000 Al\n0.746866 0.250000 0.750000 Al\n0.746866 0.750000 0.250000 Al\n0.253134 0.750000 0.250000 Al\n0.253134 0.250000 0.750000 Al\n0.990812 0.833080 0.508529 Al\n0.990812 0.666920 0.991471 Al\n0.990812 0.508529 0.666920 Al\n0.990812 0.991471 0.833080 Al\n0.009188 0.166920 0.491471 Al\n0.009188 0.333080 0.008529 Al\n0.009188 0.491471 0.333080 Al\n0.009188 0.008529 0.166920 Al\n0.505641 0.991213 0.334725 Al\n0.505641 0.508787 0.165275 Al\n0.505641 0.334725 0.508787 Al\n0.505641 0.165275 0.991213 Al\n0.494359 0.008787 0.665275 Al\n0.494359 0.491213 0.834725 Al\n0.494359 0.665275 0.491213 Al\n0.494359 0.834725 0.008787 Al\n0.988768 0.914551 0.673251 Pb\n0.988768 0.585449 0.826749 Pb\n0.988768 0.673251 0.585449 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"nsites": 216,
"nelements": 3,
"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.402051029414362,
"density_atomic": 0.07043435692048923,
"volume": 3066.685200857793,
"volume_molar": 8.550004604710418,
"formula_full": "Al24 Pb40 F152",
"formula_reduced": "Al3Pb5F19",
"formula_anonymous": "A3B5C19",
"energy": -1222.093467,
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"updated_at": "2021-11-28T01:35:31.462000Z",
"spacegroup": 85
},
{
"id": "mp-541732",
"created_at": "2022-09-04T14:45:16.010982Z",
"structure_string": "Al6 Pb10 F38\n1.0\n-7.184880 7.184880 3.789691\n7.184880 -7.184880 3.789691\n7.184880 7.184880 -3.789691\nAl Pb F\n6 10 38\ndirect\n0.859511 0.359511 0.177984 Al\n0.359511 0.181527 0.500000 Al\n0.681527 0.859511 0.500000 Al\n0.181527 0.681527 0.822016 Al\n0.816743 0.816743 0.000000 Al\n0.316743 0.316743 0.000000 Al\n0.553106 0.254509 0.848508 Pb\n0.254509 0.406001 0.701403 Pb\n0.704598 0.553106 0.298597 Pb\n0.406001 0.704598 0.151492 Pb\n0.204598 0.906001 0.151492 Pb\n0.754509 0.053106 0.848508 Pb\n0.053106 0.204598 0.298597 Pb\n0.906001 0.754509 0.701403 Pb\n0.861549 0.361549 0.500000 Pb\n0.361549 0.861549 0.500000 Pb\n0.060959 0.423813 0.139542 F\n0.423813 0.284270 0.362854 F\n0.921416 0.060959 0.637146 F\n0.284270 0.921416 0.860458 F\n0.421416 0.784270 0.860458 F\n0.923813 0.560959 0.139542 F\n0.560959 0.421416 0.637146 F\n0.784270 0.923813 0.362854 F\n0.666225 0.291580 0.235994 F\n0.291580 0.055586 0.625355 F\n0.430231 0.666225 0.374645 F\n0.055586 0.430231 0.764006 F\n0.930231 0.555586 0.764006 F\n0.791580 0.166225 0.235994 F\n0.166225 0.930231 0.374645 F\n0.555586 0.791580 0.625355 F\n0.032165 0.532165 0.345875 F\n0.532165 0.186290 0.500000 F\n0.686290 0.032165 0.500000 F\n0.186290 0.686290 0.654125 F\n0.701017 0.201017 0.009785 F\n0.201017 0.191232 0.500000 F\n0.691232 0.701017 0.500000 F\n0.191232 0.691232 0.990215 F\n0.571582 0.571582 0.000000 F\n0.071582 0.071582 0.000000 F\n0.378192 0.439043 0.167122 F\n0.439043 0.271921 0.060852 F\n0.211070 0.378192 0.939148 F\n0.271921 0.211070 0.832878 F\n0.711070 0.771921 0.832878 F\n0.939043 0.878192 0.167122 F\n0.878192 0.711070 0.939148 F\n0.771921 0.939043 0.060852 F\n0.603496 0.103496 0.730508 F\n0.103496 0.372988 0.500000 F\n0.872988 0.603496 0.500000 F\n0.372988 0.872988 0.269492 F\n",
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"density": 6.272281016381319,
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"volume": 782.5333039035445,
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"formula_full": "Al6 Pb10 F38",
"formula_reduced": "Al3Pb5F19",
"formula_anonymous": "A3B5C19",
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"updated_at": "2021-11-28T01:36:54.771000Z",
"spacegroup": 108
},
{
"id": "mp-557911",
"created_at": "2022-09-04T14:39:34.390354Z",
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"elements": [
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],
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"density": 6.27900781678845,
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"formula_full": "Al6 Pb10 F38",
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"updated_at": "2021-11-28T01:34:32.434000Z",
"spacegroup": 140
},
{
"id": "mp-558703",
"created_at": "2022-09-04T14:39:48.525316Z",
"structure_string": "Al6 Pb10 F38\n1.0\n7.329817 0.000000 0.000000\n-3.503146 -10.252799 0.000000\n-3.599109 0.028525 -10.231487\nAl Pb F\n6 10 38\ndirect\n0.246280 0.000836 0.997609 Al\n0.673551 0.516894 0.829923 Al\n0.834698 0.167841 0.517585 Al\n0.326449 0.483106 0.170077 Al\n0.753720 0.999164 0.002391 Al\n0.165302 0.832159 0.482415 Al\n0.761007 0.539666 0.477833 Pb\n0.720927 0.279501 0.160427 Pb\n0.076655 0.325722 0.841785 Pb\n0.249290 0.157373 0.324372 Pb\n0.750710 0.842627 0.675628 Pb\n0.439520 0.155215 0.724078 Pb\n0.279073 0.720499 0.839573 Pb\n0.923345 0.674278 0.158215 Pb\n0.560480 0.844785 0.275922 Pb\n0.238993 0.460334 0.522167 Pb\n0.407271 0.286998 0.540299 F\n0.067595 0.165101 0.649410 F\n0.759775 0.385692 0.800806 F\n0.904557 0.340803 0.562398 F\n0.274705 0.519860 0.995770 F\n0.699018 0.834417 0.067925 F\n0.793780 0.163481 0.936477 F\n0.634193 0.933075 0.838021 F\n0.240225 0.614308 0.199194 F\n0.725295 0.480140 0.004230 F\n0.206220 0.836519 0.063523 F\n0.766184 0.995683 0.479084 F\n0.095443 0.659197 0.437602 F\n0.592729 0.713002 0.459701 F\n0.365807 0.066925 0.161979 F\n0.126907 0.537435 0.706901 F\n0.617675 0.558655 0.653643 F\n0.076750 0.362704 0.140206 F\n0.382325 0.441345 0.346357 F\n0.981239 0.223112 0.400520 F\n0.233816 0.004317 0.520916 F\n0.617004 0.191148 0.385172 F\n0.873093 0.462565 0.293099 F\n0.000000 0.000000 0.000000 F\n0.422699 0.351485 0.155281 F\n0.923250 0.637296 0.859794 F\n0.859529 0.064670 0.168183 F\n0.932405 0.834899 0.350590 F\n0.413790 0.397330 0.783466 F\n0.300844 0.876217 0.363354 F\n0.699156 0.123783 0.636646 F\n0.586210 0.602670 0.216534 F\n0.382996 0.808852 0.614828 F\n0.500000 0.000000 0.000000 F\n0.577301 0.648515 0.844719 F\n0.140471 0.935330 0.831817 F\n0.300982 0.165583 0.932075 F\n0.018761 0.776888 0.599480 F\n",
"nsites": 54,
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"elements": [
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"density": 6.383428605527453,
"density_atomic": 0.07022947594644689,
"volume": 768.9079161174064,
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"updated_at": "2021-11-28T01:34:35.779000Z",
"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:39:10.459818Z",
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]
}