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{
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"results": [
{
"id": "mp-1094685",
"created_at": "2022-09-04T14:45:54.108881Z",
"structure_string": "Mg16 Al13\n1.0\n7.482737 5.184586 0.000000\n-7.482737 5.184586 0.000000\n0.000000 5.134634 7.447989\nMg Al\n16 13\ndirect\n0.000062 0.000062 0.999560 Mg\n0.316849 0.599888 0.001853 Mg\n0.999206 0.345812 0.000849 Mg\n0.345812 0.999206 0.000849 Mg\n0.599888 0.316849 0.001853 Mg\n0.286229 0.681931 0.315881 Mg\n0.681931 0.286229 0.315881 Mg\n0.650855 0.650855 0.345815 Mg\n0.001728 0.317277 0.397618 Mg\n0.317277 0.001728 0.397618 Mg\n0.398102 0.714941 0.601515 Mg\n0.714941 0.398102 0.601515 Mg\n0.000021 0.000021 0.653608 Mg\n0.601357 0.999919 0.683636 Mg\n0.999919 0.601357 0.683636 Mg\n0.685252 0.685252 0.713525 Mg\n0.632934 0.812884 0.999716 Al\n0.812884 0.632934 0.999716 Al\n0.190177 0.190177 0.181182 Al\n0.632523 0.999876 0.185897 Al\n0.999876 0.632523 0.185897 Al\n0.394187 0.394187 0.289466 Al\n0.816388 0.999533 0.367357 Al\n0.999533 0.816388 0.367357 Al\n0.183667 0.365580 0.630597 Al\n0.365580 0.183667 0.630597 Al\n0.819481 0.186732 0.813631 Al\n0.186732 0.819481 0.813631 Al\n0.366608 0.366608 0.819745 Al\n",
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"formula_full": "Mg16 Al13",
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"spacegroup": 8
},
{
"id": "mp-1094692",
"created_at": "2022-09-04T14:43:33.143632Z",
"structure_string": "Mg16 Al13\n1.0\n5.241772 -7.447604 0.000000\n5.241772 7.447604 0.000000\n-5.339917 0.000000 7.377551\nMg Al\n16 13\ndirect\n0.997211 0.997211 0.997211 Mg\n0.347782 0.001080 0.001080 Mg\n0.316144 0.601567 0.999874 Mg\n0.001080 0.347782 0.001080 Mg\n0.601567 0.316144 0.999874 Mg\n0.400446 0.400446 0.712428 Mg\n0.285677 0.683518 0.683518 Mg\n0.683518 0.285677 0.683518 Mg\n0.316144 0.999874 0.601567 Mg\n0.999874 0.316144 0.601567 Mg\n0.400446 0.712428 0.400446 Mg\n0.712428 0.400446 0.400446 Mg\n0.001080 0.001080 0.347782 Mg\n0.601567 0.999874 0.316144 Mg\n0.999874 0.601567 0.316144 Mg\n0.683518 0.683518 0.285677 Mg\n0.631821 0.812884 0.997456 Al\n0.812884 0.631821 0.997456 Al\n0.186495 0.186495 0.817741 Al\n0.631821 0.997456 0.812884 Al\n0.997456 0.631821 0.812884 Al\n0.659939 0.659939 0.659939 Al\n0.812884 0.997456 0.631821 Al\n0.997456 0.812884 0.631821 Al\n0.181815 0.367417 0.367417 Al\n0.367417 0.181815 0.367417 Al\n0.186495 0.817741 0.186495 Al\n0.817741 0.186495 0.186495 Al\n0.367417 0.367417 0.181815 Al\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "Al-Mg",
"density": 2.1322227325560057,
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"volume": 576.0191463378152,
"volume_molar": 11.961615102418488,
"formula_full": "Mg16 Al13",
"formula_reduced": "Mg16Al13",
"formula_anonymous": "A13B16",
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"updated_at": "2021-11-28T01:36:29.826000Z",
"spacegroup": 160
},
{
"id": "mp-1094683",
"created_at": "2022-09-04T14:39:15.760192Z",
"structure_string": "Mg16 Al13\n1.0\n-5.262493 5.262493 5.262493\n5.262493 -5.262493 5.262493\n5.262493 5.262493 -5.262493\nMg Al\n16 13\ndirect\n0.316304 0.000000 0.602557 Mg\n0.602557 0.000000 0.316304 Mg\n0.397443 0.397443 0.713747 Mg\n0.713747 0.397443 0.397443 Mg\n0.000000 0.602557 0.316304 Mg\n0.316304 0.602557 0.000000 Mg\n0.655469 0.655469 0.655469 Mg\n0.000000 0.344531 0.000000 Mg\n0.000000 0.000000 0.344531 Mg\n0.344531 0.000000 0.000000 Mg\n0.000000 0.316304 0.602557 Mg\n0.683696 0.683696 0.286253 Mg\n0.602557 0.316304 0.000000 Mg\n0.286253 0.683696 0.683696 Mg\n0.397443 0.713747 0.397443 Mg\n0.683696 0.286253 0.683696 Mg\n0.000000 0.000000 0.000000 Al\n0.184782 0.184782 0.817599 Al\n0.000000 0.815218 0.632818 Al\n0.817599 0.184782 0.184782 Al\n0.632818 0.815218 0.000000 Al\n0.367182 0.182401 0.367182 Al\n0.184782 0.817599 0.184782 Al\n0.815218 0.000000 0.632818 Al\n0.632818 0.000000 0.815218 Al\n0.182401 0.367182 0.367182 Al\n0.367182 0.367182 0.182401 Al\n0.815218 0.632818 0.000000 Al\n0.000000 0.632818 0.815218 Al\n",
"nsites": 29,
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"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.1068562440293888,
"density_atomic": 0.04974660108268647,
"volume": 582.9544002774694,
"volume_molar": 12.105632603904496,
"formula_full": "Mg16 Al13",
"formula_reduced": "Mg16Al13",
"formula_anonymous": "A13B16",
"energy": -74.75778146,
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"updated_at": "2021-11-28T01:34:42.735000Z",
"spacegroup": 217
},
{
"id": "mp-685283",
"created_at": "2022-09-04T14:44:02.543283Z",
"structure_string": "Ag13 Bi15 I64\n1.0\n7.701419 0.148423 4.720454\n2.664719 7.479040 4.793566\n0.438762 1.048271 74.712989\nAg Bi I\n13 15 64\ndirect\n0.506595 0.001439 0.998659 Ag\n0.486225 0.993708 0.128346 Ag\n0.457042 0.993267 0.255233 Ag\n0.489464 0.002298 0.376938 Ag\n0.004107 0.482846 0.377922 Ag\n0.004307 0.513532 0.622520 Ag\n0.499871 0.999879 0.499999 Ag\n0.998988 0.500887 0.499925 Ag\n0.514765 0.002383 0.622470 Ag\n0.006412 0.524800 0.870367 Ag\n0.525503 0.002851 0.745649 Ag\n0.006951 0.521042 0.745871 Ag\n0.528680 0.999969 0.870466 Ag\n0.994862 0.004728 0.999413 Bi\n0.993641 0.509489 0.998738 Bi\n0.004076 0.490080 0.126373 Bi\n0.993357 0.006458 0.062423 Bi\n-0.000469 0.960129 0.315979 Bi\n0.007518 0.991095 0.126582 Bi\n0.993952 0.472050 0.253717 Bi\n0.985827 0.989893 0.195418 Bi\n0.994161 0.000195 0.437981 Bi\n0.004631 0.003495 0.562451 Bi\n0.007411 0.010072 0.682149 Bi\n0.000105 0.997255 0.873391 Bi\n0.012206 0.014568 0.933057 Bi\n0.000820 0.997812 0.747802 Bi\n0.002724 0.005006 0.809212 Bi\n0.249564 0.241161 0.029573 I\n0.242061 0.251041 0.095433 I\n0.237049 0.776257 0.030814 I\n0.728596 0.287399 0.030890 I\n0.258704 0.248046 0.153933 I\n0.255261 0.740527 0.096253 I\n0.755595 0.224215 0.094831 I\n0.758350 0.756658 0.029330 I\n0.277822 0.246706 0.221585 I\n0.256880 0.760714 0.154428 I\n0.752060 0.254088 0.154400 I\n0.753773 0.760855 0.094810 I\n0.236372 0.265478 0.281723 I\n0.257982 0.756981 0.217792 I\n0.755058 0.238270 0.218804 I\n0.758690 0.745801 0.154936 I\n0.244909 0.247346 0.352827 I\n0.237518 0.761926 0.282638 I\n0.751493 0.252566 0.281524 I\n0.766876 0.750812 0.217498 I\n0.236424 0.246045 0.411154 I\n0.227825 0.724641 0.346012 I\n0.742732 0.763929 0.275528 I\n0.725062 0.205199 0.347257 I\n0.249689 0.254959 0.476472 I\n0.269220 0.783374 0.404504 I\n0.766808 0.265188 0.406094 I\n0.757367 0.748879 0.340105 I\n0.245008 0.238615 0.535630 I\n0.220023 0.722022 0.471413 I\n0.729748 0.212972 0.471272 I\n0.743450 0.742153 0.399331 I\n0.256611 0.260160 0.600353 I\n0.271508 0.786910 0.528506 I\n0.779449 0.278810 0.528501 I\n0.756727 0.760405 0.464255 I\n0.243337 0.239023 0.657740 I\n0.239842 0.740239 0.593155 I\n0.242279 0.242231 0.723701 I\n0.745017 0.230390 0.593501 I\n0.748996 0.744917 0.523688 I\n0.259059 0.773185 0.655123 I\n0.762825 0.263292 0.655433 I\n0.753788 0.757001 0.591069 I\n0.236928 0.238311 0.779749 I\n0.255197 0.760196 0.719840 I\n0.240781 0.241976 0.849110 I\n0.757905 0.252421 0.719717 I\n0.758886 0.752257 0.646821 I\n0.236631 0.750192 0.783850 I\n0.743605 0.235921 0.783648 I\n0.754559 0.753931 0.720396 I\n0.239970 0.245846 0.904817 I\n0.254474 0.760207 0.844946 I\n0.757640 0.250566 0.844566 I\n0.755303 0.758061 0.776829 I\n0.239234 0.243596 0.970792 I\n0.237600 0.753942 0.907556 I\n0.745000 0.238479 0.908184 I\n0.749074 0.748807 0.846406 I\n0.258801 0.725000 0.967207 I\n0.754812 0.230222 0.969221 I\n0.753769 0.759460 0.902699 I\n0.738690 0.757997 0.970780 I\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 4.965679953584602,
"density_atomic": 0.0217331269716667,
"volume": 4233.169029009937,
"volume_molar": 27.709499732141698,
"formula_full": "Ag13 Bi15 I64",
"formula_reduced": "Ag13Bi15I64",
"formula_anonymous": "A13B15C64",
"energy": -243.30382136,
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"updated_at": "2021-11-28T01:36:19.689000Z",
"spacegroup": 1
},
{
"id": "mp-1211606",
"created_at": "2022-09-04T14:43:35.341224Z",
"structure_string": "Nb13 Pb15 O50\n1.0\n-3.829018 -6.632054 0.000000\n3.829018 -6.632054 0.000000\n0.000000 -4.421369 22.566010\nNb Pb O\n13 15 50\ndirect\n0.888707 0.388958 0.833628 Nb\n0.888707 0.888707 0.833628 Nb\n0.388958 0.888707 0.833628 Nb\n0.461398 0.964281 0.112924 Nb\n0.461398 0.461398 0.112924 Nb\n0.964281 0.461398 0.112924 Nb\n0.102264 0.102264 0.693208 Nb\n0.248181 0.248181 0.255456 Nb\n0.316298 0.813387 0.554017 Nb\n0.316298 0.316298 0.554017 Nb\n0.813387 0.316298 0.554017 Nb\n0.529741 0.529741 0.410777 Nb\n0.675274 0.675274 0.974178 Nb\n0.175890 0.673347 0.974873 Pb\n0.175890 0.175890 0.974873 Pb\n0.673347 0.175890 0.974873 Pb\n0.388594 0.388594 0.834219 Pb\n0.962354 0.962354 0.112938 Pb\n0.601704 0.103379 0.693214 Pb\n0.601704 0.601704 0.693214 Pb\n0.103379 0.601704 0.693214 Pb\n0.746225 0.244531 0.263019 Pb\n0.746225 0.746225 0.263019 Pb\n0.244531 0.746225 0.263019 Pb\n0.030017 0.531745 0.408220 Pb\n0.030017 0.030017 0.408220 Pb\n0.531745 0.030017 0.408220 Pb\n0.815482 0.815482 0.553554 Pb\n0.532698 0.914521 0.020084 O\n0.532698 0.532698 0.020084 O\n0.914521 0.532698 0.020084 O\n0.582023 0.582023 0.253931 O\n0.778682 0.778682 0.663954 O\n0.352757 0.352757 0.941730 O\n0.177506 0.555315 0.089674 O\n0.177506 0.177506 0.089674 O\n0.555315 0.177506 0.089674 O\n0.391192 0.024394 0.193223 O\n0.391192 0.391192 0.193223 O\n0.024394 0.391192 0.193223 O\n0.600898 0.221953 0.576252 O\n0.600898 0.600898 0.576252 O\n0.221953 0.600898 0.576252 O\n0.751049 0.374578 0.123324 O\n0.751049 0.751049 0.123324 O\n0.374578 0.751049 0.123324 O\n0.851553 0.851553 0.445341 O\n0.958663 0.335714 0.746959 O\n0.958663 0.958663 0.746959 O\n0.335714 0.958663 0.746959 O\n0.922141 0.922141 0.233578 O\n0.819340 0.442588 0.918733 O\n0.819340 0.819340 0.918733 O\n0.442588 0.819340 0.918733 O\n0.245179 0.864292 0.645349 O\n0.245179 0.245179 0.645349 O\n0.864292 0.245179 0.645349 O\n0.996565 0.996565 0.010304 O\n0.103827 0.499006 0.293341 O\n0.103827 0.103827 0.293341 O\n0.499006 0.103827 0.293341 O\n0.386132 0.755308 0.472429 O\n0.386132 0.386132 0.472429 O\n0.755308 0.386132 0.472429 O\n0.673007 0.283878 0.370108 O\n0.673007 0.673007 0.370108 O\n0.283878 0.673007 0.370108 O\n0.425185 0.425185 0.724445 O\n0.175381 0.798934 0.850303 O\n0.175381 0.175381 0.850303 O\n0.798934 0.175381 0.850303 O\n0.602150 0.980100 0.815600 O\n0.602150 0.602150 0.815600 O\n0.980100 0.602150 0.815600 O\n0.027113 0.403541 0.542233 O\n0.027113 0.027113 0.542233 O\n0.403541 0.027113 0.542233 O\n0.197532 0.197532 0.407403 O\n",
"nsites": 78,
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"elements": [
"Nb",
"Pb",
"O"
],
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"density": 7.412051469345446,
"density_atomic": 0.06805724570754393,
"volume": 1146.0939858656952,
"volume_molar": 8.848640137272652,
"formula_full": "Nb13 Pb15 O50",
"formula_reduced": "Nb13(Pb3O10)5",
"formula_anonymous": "A13B15C50",
"energy": -620.70378252,
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"updated_at": "2021-11-28T01:36:14.204000Z",
"spacegroup": 160
},
{
"id": "mp-757320",
"created_at": "2022-09-04T14:42:14.945927Z",
"structure_string": "Ti13 Fe15 O42\n1.0\n-7.716798 1.482198 4.741226\n0.011618 8.910150 0.013727\n-2.590175 1.466993 -9.506645\nTi Fe O\n13 15 42\ndirect\n0.937381 0.983192 0.185238 Ti\n0.794572 0.265861 0.614769 Ti\n0.920699 0.307791 0.241363 Ti\n0.773744 0.593001 0.667767 Ti\n0.369926 0.120213 0.903451 Ti\n0.490989 0.161065 0.527594 Ti\n0.636622 0.876791 0.099337 Ti\n0.651647 0.547586 0.043346 Ti\n0.347427 0.448354 0.957370 Ti\n0.078965 0.694690 0.757705 Ti\n0.223115 0.408477 0.330245 Ti\n0.061084 0.021918 0.811908 Ti\n0.205161 0.737430 0.385076 Ti\n0.842736 0.951081 0.454595 Fe\n0.706282 0.235394 0.883404 Fe\n0.725921 0.907966 0.830383 Fe\n0.869565 0.621222 0.402696 Fe\n0.988057 0.665736 0.026740 Fe\n0.510535 0.835366 0.473527 Fe\n0.420302 0.807753 0.740451 Fe\n0.580621 0.190335 0.258307 Fe\n0.436210 0.480364 0.686820 Fe\n0.564556 0.525063 0.316787 Fe\n0.149305 0.052710 0.543331 Fe\n0.295194 0.765594 0.118280 Fe\n0.279808 0.090605 0.173521 Fe\n0.007874 0.340543 0.970646 Fe\n0.135506 0.375026 0.600055 Fe\n0.958353 0.859767 0.846971 O\n0.940288 0.559296 0.841165 O\n0.929405 0.192673 0.832184 O\n0.930489 0.090095 0.599755 O\n0.920382 0.727942 0.592981 O\n0.902869 0.423896 0.583498 O\n0.819398 0.143530 0.272471 O\n0.676311 0.429229 0.705680 O\n0.652611 0.132080 0.695725 O\n0.795812 0.841831 0.263679 O\n0.642834 0.764133 0.690195 O\n0.783733 0.481552 0.256815 O\n0.652659 0.653263 0.455929 O\n0.503633 0.947278 0.881066 O\n0.786107 0.376386 0.022196 O\n0.632523 0.301396 0.448354 O\n0.774580 0.013664 0.020635 O\n0.487502 0.584365 0.878317 O\n0.613318 0.005867 0.437773 O\n0.465879 0.285658 0.865783 O\n0.749777 0.712637 0.011685 O\n0.248229 0.282047 0.995551 O\n0.520327 0.719288 0.130354 O\n0.386904 0.001539 0.560769 O\n0.365003 0.697709 0.553143 O\n0.230116 0.972216 0.983708 O\n0.511860 0.415561 0.124086 O\n0.351196 0.337747 0.543771 O\n0.501830 0.052049 0.116680 O\n0.220124 0.628370 0.982257 O\n0.215530 0.518823 0.746253 O\n0.358740 0.236851 0.312523 O\n0.337798 0.869930 0.293412 O\n0.205222 0.154966 0.739968 O\n0.179363 0.858545 0.721019 O\n0.322044 0.575389 0.288082 O\n0.103226 0.574138 0.417790 O\n0.081597 0.267359 0.408818 O\n0.065575 0.908232 0.399120 O\n0.074810 0.804888 0.162632 O\n0.059975 0.442921 0.163821 O\n0.038259 0.143771 0.148679 O\n",
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"elements": [
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],
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