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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11533",
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"results": [
{
"id": "mp-557911",
"created_at": "2022-09-04T14:39:34.390354Z",
"structure_string": "Al6 Pb10 F38\n1.0\n-7.292454 7.292454 3.674768\n7.292454 -7.292454 3.674768\n7.292454 7.292454 -3.674768\nAl Pb F\n6 10 38\ndirect\n0.833782 0.333782 0.167564 Al\n0.333782 0.166218 0.500000 Al\n0.166218 0.666218 0.832436 Al\n0.250000 0.250000 0.000000 Al\n0.750000 0.750000 0.000000 Al\n0.666218 0.833782 0.500000 Al\n0.728651 0.572729 0.301380 Pb\n0.271349 0.427271 0.698620 Pb\n0.427271 0.728651 0.155922 Pb\n0.228651 0.927271 0.155922 Pb\n0.072729 0.228651 0.301380 Pb\n0.927271 0.771349 0.698620 Pb\n0.572729 0.271349 0.844078 Pb\n0.750000 0.250000 0.500000 Pb\n0.771349 0.072729 0.844078 Pb\n0.250000 0.750000 0.500000 Pb\n0.338020 0.161980 0.000000 F\n0.838020 0.838020 0.176040 F\n0.230805 0.053992 0.628131 F\n0.745168 0.245168 0.990336 F\n0.425861 0.602674 0.371869 F\n0.422994 0.077006 0.500000 F\n0.838020 0.661980 0.000000 F\n0.000000 0.000000 0.000000 F\n0.769195 0.946008 0.371869 F\n0.602674 0.230805 0.176813 F\n0.053992 0.425861 0.823187 F\n0.661980 0.838020 0.000000 F\n0.925861 0.553992 0.823187 F\n0.161980 0.338020 0.000000 F\n0.754832 0.745168 0.500000 F\n0.922994 0.422994 0.345987 F\n0.574139 0.397326 0.628131 F\n0.254832 0.754832 0.009664 F\n0.074139 0.446008 0.176813 F\n0.161980 0.161980 0.823960 F\n0.102674 0.925861 0.371869 F\n0.606501 0.106501 0.713002 F\n0.446008 0.269195 0.371869 F\n0.553992 0.730805 0.628131 F\n0.661980 0.661980 0.823960 F\n0.397326 0.769195 0.823187 F\n0.338020 0.338020 0.176040 F\n0.500000 0.500000 0.000000 F\n0.897326 0.074139 0.628131 F\n0.577006 0.922994 0.500000 F\n0.269195 0.897326 0.823187 F\n0.077006 0.577006 0.654013 F\n0.946008 0.574139 0.176813 F\n0.730805 0.102674 0.176813 F\n0.893499 0.606501 0.500000 F\n0.106501 0.393499 0.500000 F\n0.393499 0.893499 0.286998 F\n0.245168 0.254832 0.500000 F\n",
"nsites": 54,
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"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.27900781678845,
"density_atomic": 0.06908065487798459,
"volume": 781.6949635955077,
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"formula_full": "Al6 Pb10 F38",
"formula_reduced": "Al3Pb5F19",
"formula_anonymous": "A3B5C19",
"energy": -304.75493337,
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"total_magnetization": 0.0034709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.434000Z",
"spacegroup": 140
},
{
"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 Pb\n0.988768 0.826749 0.914551 Pb\n0.011232 0.085449 0.326749 Pb\n0.011232 0.414551 0.173251 Pb\n0.011232 0.326749 0.414551 Pb\n0.011232 0.173251 0.085449 Pb\n0.493865 0.826269 0.609990 Pb\n0.493865 0.673731 0.890010 Pb\n0.493865 0.609990 0.673731 Pb\n0.493865 0.890010 0.826269 Pb\n0.506135 0.173731 0.390010 Pb\n0.506135 0.326269 0.109990 Pb\n0.506135 0.390010 0.326269 Pb\n0.506135 0.109990 0.173731 Pb\n0.997643 0.111479 0.668903 Pb\n0.997643 0.388521 0.831097 Pb\n0.997643 0.668903 0.388521 Pb\n0.997643 0.831097 0.111479 Pb\n0.002357 0.888521 0.331097 Pb\n0.002357 0.611479 0.168903 Pb\n0.002357 0.331097 0.611479 Pb\n0.002357 0.168903 0.888521 Pb\n0.505533 0.829232 0.411459 Pb\n0.505533 0.670768 0.088541 Pb\n0.505533 0.411459 0.670768 Pb\n0.505533 0.088541 0.829232 Pb\n0.494467 0.170768 0.588541 Pb\n0.494467 0.329232 0.911459 Pb\n0.494467 0.588541 0.329232 Pb\n0.494467 0.911459 0.170768 Pb\n0.754218 0.017799 0.492609 Pb\n0.754218 0.482201 0.007391 Pb\n0.754218 0.492609 0.482201 Pb\n0.754218 0.007391 0.017799 Pb\n0.245782 0.982201 0.507391 Pb\n0.245782 0.517799 0.992609 Pb\n0.245782 0.507391 0.517799 Pb\n0.245782 0.992609 0.982201 Pb\n0.004919 0.750000 0.750000 F\n0.995081 0.250000 0.250000 F\n0.504222 0.750000 0.750000 F\n0.495778 0.250000 0.250000 F\n0.749906 0.830130 0.712768 F\n0.749906 0.669870 0.787232 F\n0.749906 0.712768 0.669870 F\n0.749906 0.787232 0.830130 F\n0.250094 0.169870 0.287232 F\n0.250094 0.330130 0.212768 F\n0.250094 0.287232 0.330130 F\n0.250094 0.212768 0.169870 F\n0.259489 0.666643 0.781211 F\n0.259489 0.833357 0.718789 F\n0.259489 0.781211 0.833357 F\n0.259489 0.718789 0.666643 F\n0.740511 0.333357 0.218789 F\n0.740511 0.166643 0.281211 F\n0.740511 0.218789 0.166643 F\n0.740511 0.281211 0.333357 F\n0.000000 0.250000 0.750000 F\n0.000000 0.750000 0.250000 F\n0.753262 0.782386 0.331966 F\n0.753262 0.717614 0.168034 F\n0.753262 0.331966 0.717614 F\n0.753262 0.168034 0.782386 F\n0.246738 0.217614 0.668034 F\n0.246738 0.282386 0.831966 F\n0.246738 0.668034 0.282386 F\n0.246738 0.831966 0.217614 F\n0.753260 0.217431 0.666904 F\n0.753260 0.282569 0.833096 F\n0.753260 0.666904 0.282569 F\n0.753260 0.833096 0.217431 F\n0.246740 0.782569 0.333096 F\n0.246740 0.717431 0.166904 F\n0.246740 0.333096 0.717431 F\n0.246740 0.166904 0.782569 F\n0.500000 0.750000 0.250000 F\n0.500000 0.250000 0.750000 F\n0.161151 0.828065 0.573563 F\n0.161151 0.671935 0.926437 F\n0.161151 0.573563 0.671935 F\n0.161151 0.926437 0.828065 F\n0.838849 0.171935 0.426437 F\n0.838849 0.328065 0.073563 F\n0.838849 0.426437 0.328065 F\n0.838849 0.073563 0.171935 F\n0.168698 0.861159 0.450060 F\n0.168698 0.638841 0.049940 F\n0.168698 0.450060 0.638841 F\n0.168698 0.049940 0.861159 F\n0.831302 0.138841 0.549940 F\n0.831302 0.361159 0.950060 F\n0.831302 0.549940 0.361159 F\n0.831302 0.950060 0.138841 F\n0.826488 0.847147 0.443286 F\n0.826488 0.652853 0.056714 F\n0.826488 0.443286 0.652853 F\n0.826488 0.056714 0.847147 F\n0.173512 0.152853 0.556714 F\n0.173512 0.347147 0.943286 F\n0.173512 0.556714 0.347147 F\n0.173512 0.943286 0.152853 F\n0.817027 0.809459 0.566919 F\n0.817027 0.690541 0.933081 F\n0.817027 0.566919 0.690541 F\n0.817027 0.933081 0.809459 F\n0.182973 0.190541 0.433081 F\n0.182973 0.309459 0.066919 F\n0.182973 0.433081 0.309459 F\n0.182973 0.066919 0.190541 F\n0.022134 0.747250 0.486629 F\n0.022134 0.752750 0.013371 F\n0.022134 0.486629 0.752750 F\n0.022134 0.013371 0.747250 F\n0.977866 0.252750 0.513371 F\n0.977866 0.247250 0.986629 F\n0.977866 0.513371 0.247250 F\n0.977866 0.986629 0.252750 F\n0.959125 0.918750 0.533570 F\n0.959125 0.581250 0.966430 F\n0.959125 0.533570 0.581250 F\n0.959125 0.966430 0.918750 F\n0.040875 0.081250 0.466430 F\n0.040875 0.418750 0.033570 F\n0.040875 0.466430 0.418750 F\n0.040875 0.033570 0.081250 F\n0.485155 0.971277 0.422612 F\n0.485155 0.528723 0.077388 F\n0.485155 0.422612 0.528723 F\n0.485155 0.077388 0.971277 F\n0.514845 0.028723 0.577388 F\n0.514845 0.471277 0.922612 F\n0.514845 0.577388 0.471277 F\n0.514845 0.922612 0.028723 F\n0.680874 0.051670 0.359744 F\n0.680874 0.448330 0.140256 F\n0.680874 0.359744 0.448330 F\n0.680874 0.140256 0.051670 F\n0.319126 0.948330 0.640256 F\n0.319126 0.551670 0.859744 F\n0.319126 0.640256 0.551670 F\n0.319126 0.859744 0.948330 F\n0.336161 0.055482 0.346019 F\n0.336161 0.444518 0.153981 F\n0.336161 0.346019 0.444518 F\n0.336161 0.153981 0.055482 F\n0.663839 0.944518 0.653981 F\n0.663839 0.555482 0.846019 F\n0.663839 0.653981 0.555482 F\n0.663839 0.846019 0.944518 F\n0.333971 0.929536 0.317215 F\n0.333971 0.570464 0.182785 F\n0.333971 0.317215 0.570464 F\n0.333971 0.182785 0.929536 F\n0.666029 0.070464 0.682785 F\n0.666029 0.429536 0.817215 F\n0.666029 0.682785 0.429536 F\n0.666029 0.817215 0.070464 F\n0.675938 0.925972 0.330970 F\n0.675938 0.574028 0.169030 F\n0.675938 0.330970 0.574028 F\n0.675938 0.169030 0.925972 F\n0.324062 0.074028 0.669030 F\n0.324062 0.425972 0.830970 F\n0.324062 0.669030 0.425972 F\n0.324062 0.830970 0.074028 F\n0.532165 0.008693 0.247904 F\n0.532165 0.491307 0.252096 F\n0.532165 0.247904 0.491307 F\n0.532165 0.252096 0.008693 F\n0.467835 0.991307 0.752096 F\n0.467835 0.508693 0.747904 F\n0.467835 0.752096 0.508693 F\n0.467835 0.747904 0.991307 F\n0.008380 0.979458 0.399066 F\n0.008380 0.520542 0.100934 F\n0.008380 0.399066 0.520542 F\n0.008380 0.100934 0.979458 F\n0.991620 0.020542 0.600934 F\n0.991620 0.479458 0.899066 F\n0.991620 0.600934 0.479458 F\n0.991620 0.899066 0.020542 F\n0.493615 0.894116 0.519468 F\n0.493615 0.605884 0.980532 F\n0.493615 0.519468 0.605884 F\n0.493615 0.980532 0.894116 F\n0.506385 0.105884 0.480532 F\n0.506385 0.394116 0.019468 F\n0.506385 0.480532 0.394116 F\n0.506385 0.019468 0.105884 F\n",
"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,
"energy_per_atom": -5.657840125,
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"total_magnetization": 1e-06,
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"updated_at": "2021-11-28T01:35:31.462000Z",
"spacegroup": 85
},
{
"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,
"nelements": 3,
"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.383428605527453,
"density_atomic": 0.07022947594644689,
"volume": 768.9079161174064,
"volume_molar": 8.574947596920914,
"formula_full": "Al6 Pb10 F38",
"formula_reduced": "Al3Pb5F19",
"formula_anonymous": "A3B5C19",
"energy": -305.56853575,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.580000Z",
"spacegroup": 2
},
{
"id": "mp-558775",
"created_at": "2022-09-04T14:44:15.764087Z",
"structure_string": "Al6 Pb10 F38\n1.0\n-7.244212 7.244212 3.654520\n7.244212 -7.244212 3.654520\n7.244212 7.244212 -3.654520\nAl Pb F\n6 10 38\ndirect\n0.752881 0.752881 0.000000 Al\n0.247119 0.247119 0.000000 Al\n0.675238 0.158160 0.833398 Al\n0.324762 0.841840 0.166602 Al\n0.841840 0.675238 0.517078 Al\n0.158160 0.324762 0.482922 Al\n0.083344 0.758570 0.841913 Pb\n0.916656 0.241430 0.158087 Pb\n0.441796 0.280710 0.722506 Pb\n0.558204 0.719290 0.277494 Pb\n0.241430 0.083344 0.324774 Pb\n0.280710 0.558204 0.838914 Pb\n0.758570 0.916656 0.675226 Pb\n0.750000 0.250000 0.500000 Pb\n0.719290 0.441796 0.161086 Pb\n0.250000 0.750000 0.500000 Pb\n0.576926 0.934141 0.856773 F\n0.611069 0.047407 0.658477 F\n0.264380 0.257224 0.521604 F\n0.952593 0.611069 0.563662 F\n0.423074 0.065859 0.143227 F\n0.697297 0.861963 0.066484 F\n0.279846 0.423074 0.357215 F\n0.735620 0.742776 0.478396 F\n0.302703 0.138037 0.933516 F\n0.138037 0.204520 0.835334 F\n0.878554 0.420276 0.298830 F\n0.579924 0.972874 0.206996 F\n0.121446 0.579724 0.701170 F\n0.234122 0.627072 0.206996 F\n0.861963 0.795480 0.164666 F\n0.065859 0.922632 0.642785 F\n0.579724 0.878554 0.458277 F\n0.972874 0.765878 0.392950 F\n0.420276 0.121446 0.541723 F\n0.027126 0.234122 0.607050 F\n0.934141 0.077368 0.357215 F\n0.204520 0.369187 0.066484 F\n0.257224 0.735620 0.992845 F\n0.765878 0.372928 0.793004 F\n0.922632 0.279847 0.856773 F\n0.742776 0.264380 0.007155 F\n0.000000 0.000000 0.000000 F\n0.388931 0.952593 0.341523 F\n0.420076 0.027126 0.793004 F\n0.077368 0.720154 0.143227 F\n0.795480 0.630813 0.933516 F\n0.627072 0.420076 0.392950 F\n0.047407 0.388931 0.436338 F\n0.369187 0.302703 0.164666 F\n0.720154 0.576926 0.642785 F\n0.372928 0.579924 0.607050 F\n0.500000 0.500000 0.000000 F\n0.630813 0.697297 0.835334 F\n",
"nsites": 54,
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"elements": [
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"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.398168901113934,
"density_atomic": 0.07039164635647355,
"volume": 767.1364827373995,
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{
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}