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{
"id": "mp-1104103",
"created_at": "2022-09-04T14:42:57.509059Z",
"structure_string": "Dy1 Mn4 Al8\n1.0\n0.000000 0.000000 -5.152006\n-4.392215 -4.392215 -2.576003\n-4.392215 4.392215 -2.576003\nDy Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.663844 0.336156 Al\n0.000000 0.336156 0.663844 Al\n0.663844 0.336156 0.336156 Al\n0.336156 0.663844 0.663844 Al\n0.500000 0.224315 0.775685 Al\n0.500000 0.775685 0.224315 Al\n0.724315 0.775685 0.775685 Al\n0.275685 0.224315 0.224315 Al\n",
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{
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{
"id": "mp-556404",
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"structure_string": "Na16 Mn8 P8 O32 F8\n1.0\n5.395852 0.000000 0.000000\n0.000000 13.838182 0.000000\n0.000000 6.984921 12.061620\nNa Mn P O F\n16 8 8 32 8\ndirect\n0.235941 0.920589 0.666513 Na\n0.235865 0.164546 0.171969 Na\n0.759443 0.334672 0.336243 Na\n0.264135 0.164546 0.671969 Na\n0.735941 0.079411 0.833487 Na\n0.259443 0.665328 0.163757 Na\n0.239126 0.420206 0.912564 Na\n0.260874 0.420206 0.412564 Na\n0.739126 0.579794 0.587436 Na\n0.240557 0.665328 0.663757 Na\n0.764059 0.079411 0.333487 Na\n0.760874 0.579794 0.087436 Na\n0.764135 0.835454 0.828031 Na\n0.735865 0.835454 0.328031 Na\n0.740557 0.334672 0.836243 Na\n0.264059 0.920589 0.166513 Na\n0.227656 0.422926 0.176046 Mn\n0.770555 0.077217 0.599132 Mn\n0.729445 0.077217 0.099132 Mn\n0.272344 0.422926 0.676046 Mn\n0.229445 0.922783 0.400868 Mn\n0.727656 0.577074 0.323954 Mn\n0.772344 0.577074 0.823954 Mn\n0.270555 0.922783 0.900868 Mn\n0.785105 0.337880 0.584340 P\n0.781506 0.837889 0.076794 P\n0.718494 0.837889 0.576794 P\n0.214895 0.662120 0.415660 P\n0.218494 0.162111 0.923206 P\n0.285105 0.662120 0.915660 P\n0.281506 0.162111 0.423206 P\n0.714895 0.337880 0.084340 P\n0.069193 0.850441 0.056735 O\n0.647322 0.386066 0.648930 O\n0.289317 0.596860 0.540132 O\n0.283271 0.787587 0.365231 O\n0.852678 0.386066 0.148930 O\n0.699599 0.903871 0.134632 O\n0.427619 0.348254 0.095378 O\n0.927619 0.651746 0.404622 O\n0.430807 0.850441 0.556735 O\n0.710683 0.403140 0.459868 O\n0.147322 0.613934 0.851070 O\n0.853742 0.883481 0.463771 O\n0.800401 0.903871 0.634632 O\n0.199599 0.096129 0.365368 O\n0.717012 0.712160 0.151653 O\n0.572381 0.651746 0.904622 O\n0.146258 0.116519 0.536229 O\n0.353742 0.116519 0.036229 O\n0.072381 0.348254 0.595378 O\n0.930807 0.149559 0.943265 O\n0.352678 0.613934 0.351070 O\n0.789317 0.403140 0.959868 O\n0.783271 0.212413 0.134769 O\n0.217012 0.287840 0.348347 O\n0.282988 0.287840 0.848347 O\n0.716729 0.212413 0.634769 O\n0.300401 0.096129 0.865368 O\n0.782988 0.712160 0.651653 O\n0.210683 0.596860 0.040132 O\n0.216729 0.787587 0.865231 O\n0.569193 0.149559 0.443265 O\n0.646258 0.883481 0.963771 O\n0.499749 0.508528 0.759124 F\n0.998281 0.999278 0.235883 F\n0.498281 0.000722 0.264117 F\n0.999749 0.491472 0.740876 F\n0.001719 0.000722 0.764117 F\n0.000251 0.508528 0.259124 F\n0.500251 0.491472 0.240876 F\n0.501719 0.999278 0.735883 F\n",
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"formula_full": "Na16 Mn8 P8 O32 F8",
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{
"id": "mp-866094",
"created_at": "2022-09-04T14:42:57.519292Z",
"structure_string": "Hf1 Zn1 Cu2\n1.0\n0.000000 3.083246 3.083246\n3.083246 0.000000 3.083246\n3.083246 3.083246 0.000000\nHf Zn Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
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"formula_full": "Hf1 Zn1 Cu2",
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{
"id": "mp-13931",
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"structure_string": "Ba2 Tb1 Re1 O6\n1.0\n0.000000 4.246146 4.246146\n4.246146 0.000000 4.246146\n4.246146 4.246146 0.000000\nBa Tb Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Re\n0.765695 0.234305 0.765695 O\n0.234305 0.234305 0.765695 O\n0.765695 0.765695 0.234305 O\n0.765695 0.234305 0.234305 O\n0.234305 0.765695 0.234305 O\n0.234305 0.765695 0.765695 O\n",
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"formula_full": "Ba2 Tb1 Re1 O6",
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{
"id": "mp-977358",
"created_at": "2022-09-04T14:42:57.524158Z",
"structure_string": "Ho2 Ag1 Ir1\n1.0\n0.000000 3.502305 3.502305\n3.502305 0.000000 3.502305\n3.502305 3.502305 0.000000\nHo Ag Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ir\n",
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{
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"structure_string": "Ca10 Pt4 N12\n1.0\n6.102661 -0.292962 -0.189143\n-3.613222 5.872478 0.000000\n-2.371067 -1.458871 11.798332\nCa Pt N\n10 4 12\ndirect\n0.000000 0.384938 0.750000 Ca\n0.000000 0.615062 0.250000 Ca\n0.120629 0.806841 0.000998 Ca\n0.879371 0.686213 0.499002 Ca\n0.879371 0.193159 0.999002 Ca\n0.120629 0.313787 0.500998 Ca\n0.331487 0.039338 0.731468 Ca\n0.668513 0.707851 0.768532 Ca\n0.668513 0.960662 0.268532 Ca\n0.331487 0.292149 0.231468 Ca\n0.528843 0.820794 0.542680 Pt\n0.471157 0.291951 0.957320 Pt\n0.471157 0.179206 0.457320 Pt\n0.528843 0.708049 0.042680 Pt\n0.256045 0.676225 0.629458 N\n0.743955 0.420181 0.870542 N\n0.743955 0.323775 0.370542 N\n0.256045 0.579819 0.129458 N\n0.579356 0.325884 0.612047 N\n0.420644 0.746528 0.887953 N\n0.420644 0.674116 0.387953 N\n0.579356 0.253472 0.112047 N\n0.911169 0.004060 0.625283 N\n0.088831 0.092892 0.874717 N\n0.088831 0.995940 0.374717 N\n0.911169 0.907108 0.125283 N\n",
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{
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"structure_string": "K2 Eu2 P8 O24\n1.0\n8.606023 0.000000 0.000000\n0.000000 7.379557 0.000000\n0.000000 0.257733 8.142485\nK Eu P O\n2 2 8 24\ndirect\n0.555099 0.726380 0.718760 K\n0.055099 0.273620 0.281240 K\n0.747554 0.235412 0.756755 Eu\n0.247554 0.764588 0.243245 Eu\n0.125260 0.435170 0.899803 P\n0.625260 0.564830 0.100197 P\n0.994630 0.622837 0.604166 P\n0.825319 0.896833 0.106092 P\n0.325319 0.103167 0.893908 P\n0.100366 0.001240 0.619059 P\n0.600366 0.998760 0.380941 P\n0.494630 0.377163 0.395834 P\n0.656903 0.439043 0.961911 O\n0.777843 0.686725 0.130581 O\n0.341615 0.461333 0.349671 O\n0.841615 0.538667 0.650329 O\n0.704450 0.008565 0.216904 O\n0.482805 0.682469 0.075562 O\n0.053924 0.611638 0.432411 O\n0.001177 0.169676 0.613872 O\n0.553924 0.388362 0.567589 O\n0.982805 0.317531 0.924438 O\n0.986670 0.832170 0.656065 O\n0.985576 0.914922 0.176411 O\n0.129774 0.546760 0.727989 O\n0.199916 0.970557 0.471093 O\n0.629774 0.453240 0.272011 O\n0.699916 0.029443 0.528906 O\n0.501177 0.830324 0.386128 O\n0.156903 0.560957 0.038089 O\n0.485576 0.085078 0.823589 O\n0.277843 0.313275 0.869419 O\n0.295121 0.037709 0.068447 O\n0.795121 0.962291 0.931553 O\n0.486670 0.167830 0.343935 O\n0.204450 0.991435 0.783096 O\n",
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"formula_full": "K2 Eu2 P8 O24",
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{
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"structure_string": "Ho4 B16 Os4\n1.0\n0.000000 0.000000 3.564468\n5.962456 0.000000 0.000000\n0.000000 11.530368 0.000000\nHo B Os\n4 16 4\ndirect\n0.000000 0.628109 0.349744 Ho\n0.000000 0.371891 0.650256 Ho\n0.000000 0.128109 0.150256 Ho\n0.000000 0.871891 0.849744 Ho\n0.500000 0.789053 0.185942 B\n0.500000 0.210947 0.814058 B\n0.500000 0.289053 0.314058 B\n0.500000 0.710947 0.685942 B\n0.500000 0.864028 0.029996 B\n0.500000 0.135972 0.970004 B\n0.500000 0.364028 0.470004 B\n0.500000 0.635972 0.529996 B\n0.500000 0.887195 0.453206 B\n0.500000 0.112805 0.546794 B\n0.500000 0.387195 0.046794 B\n0.500000 0.612805 0.953206 B\n0.500000 0.974693 0.308548 B\n0.500000 0.025307 0.691452 B\n0.500000 0.474693 0.191452 B\n0.500000 0.525307 0.808548 B\n0.000000 0.641343 0.093509 Os\n0.000000 0.358657 0.906491 Os\n0.000000 0.141343 0.406491 Os\n0.000000 0.858657 0.593509 Os\n",
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{
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"structure_string": "Ba2 Cd4 Pt2\n1.0\n2.262528 -5.673022 0.000000\n2.262528 5.673022 0.000000\n0.000000 0.000000 8.474528\nBa Cd Pt\n2 4 2\ndirect\n0.440984 0.559016 0.750000 Ba\n0.559016 0.440984 0.250000 Ba\n0.839235 0.160765 0.055739 Cd\n0.160765 0.839235 0.944261 Cd\n0.839235 0.160765 0.444261 Cd\n0.160765 0.839235 0.555739 Cd\n0.722892 0.277108 0.750000 Pt\n0.277108 0.722892 0.250000 Pt\n",
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},
{
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"created_at": "2022-09-04T14:44:01.396480Z",
"structure_string": "Ti1 Al1\n1.0\n2.824105 0.000000 0.000000\n0.000000 2.824105 0.000000\n0.000000 0.000000 4.064712\nTi Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n",
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"elements": [
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],
"chemical_system": "Al-Ti",
"density": 3.8339016130398575,
"density_atomic": 0.06169337601922369,
"volume": 32.41839122852993,
"volume_molar": 9.761405759547829,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
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"updated_at": "2021-11-28T01:36:39.181000Z",
"spacegroup": 123
},
{
"id": "mp-754377",
"created_at": "2022-09-04T14:42:57.529501Z",
"structure_string": "K8 Ti2 O8\n1.0\n4.795986 -4.959778 0.000000\n4.795986 4.959778 0.000000\n0.000000 0.000000 7.460705\nK Ti O\n8 2 8\ndirect\n0.167743 0.167743 0.500000 K\n0.167743 0.167743 0.000000 K\n0.136235 0.545454 0.250000 K\n0.545454 0.136235 0.750000 K\n0.863765 0.454546 0.750000 K\n0.454546 0.863765 0.250000 K\n0.832257 0.832257 0.000000 K\n0.832257 0.832257 0.500000 K\n0.673746 0.326254 0.250000 Ti\n0.326254 0.673746 0.750000 Ti\n0.409387 0.266015 0.250000 O\n0.266015 0.409387 0.750000 O\n0.784169 0.215831 0.046492 O\n0.784169 0.215831 0.453508 O\n0.215831 0.784169 0.953508 O\n0.215831 0.784169 0.546492 O\n0.590613 0.733985 0.750000 O\n0.733985 0.590613 0.250000 O\n",
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"elements": [
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],
"chemical_system": "K-O-Ti",
"density": 2.5100446291032164,
"density_atomic": 0.05071337298676403,
"volume": 354.93596540498146,
"volume_molar": 11.874857469196048,
"formula_full": "K8 Ti2 O8",
"formula_reduced": "K4TiO4",
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]
}