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{
"id": "mp-1229219",
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"structure_string": "Ag3 Te32 Au13\n1.0\n4.521805 16.960284 0.000000\n-4.521805 16.960284 0.000000\n0.000000 0.010911 9.089134\nAg Te Au\n3 32 13\ndirect\n0.073317 0.676384 0.316710 Ag\n0.323616 0.926683 0.683290 Ag\n0.700121 0.299879 0.000000 Ag\n0.405521 0.467407 0.369175 Te\n0.902000 0.971800 0.367560 Te\n0.532593 0.594479 0.630825 Te\n0.028200 0.098000 0.632440 Te\n0.282869 0.344490 0.369240 Te\n0.778129 0.848502 0.367570 Te\n0.655510 0.717131 0.630760 Te\n0.151498 0.221871 0.632430 Te\n0.598792 0.151630 0.018872 Te\n0.099374 0.649811 0.011014 Te\n0.848370 0.401208 0.981128 Te\n0.350189 0.900626 0.988986 Te\n0.142096 0.607497 0.614328 Te\n0.638540 0.111509 0.613180 Te\n0.392503 0.857904 0.385672 Te\n0.888491 0.361460 0.386820 Te\n0.649342 0.345507 0.698298 Te\n0.151987 0.843008 0.702023 Te\n0.654493 0.350658 0.301702 Te\n0.156992 0.848013 0.297977 Te\n0.406944 0.097645 0.702368 Te\n0.906961 0.598400 0.702314 Te\n0.902355 0.593056 0.297632 Te\n0.401600 0.093039 0.297686 Te\n0.872300 0.006556 0.961239 Te\n0.367614 0.511664 0.961258 Te\n0.993444 0.127700 0.038761 Te\n0.488336 0.632386 0.038742 Te\n0.742237 0.878826 0.962316 Te\n0.241668 0.378564 0.962270 Te\n0.121174 0.257763 0.037684 Te\n0.621436 0.758332 0.037730 Te\n0.390414 0.483615 0.665918 Au\n0.890303 0.983899 0.665174 Au\n0.516385 0.609586 0.334082 Au\n0.016101 0.109697 0.334826 Au\n0.267142 0.358035 0.666571 Au\n0.766418 0.859680 0.665785 Au\n0.641965 0.732858 0.333429 Au\n0.140320 0.233582 0.334215 Au\n0.583188 0.166872 0.317869 Au\n0.833128 0.416812 0.682131 Au\n0.191730 0.808270 0.000000 Au\n0.943355 0.557263 0.000147 Au\n0.442737 0.056645 0.999853 Au\n",
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"formula_full": "Ag3 Te32 Au13",
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{
"id": "mp-1183177",
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"structure_string": "Ag3 W1\n1.0\n0.000000 3.255536 3.255536\n3.255536 0.000000 3.255536\n3.255536 3.255536 0.000000\nAg W\n3 1\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-W",
"density": 12.210690699583381,
"density_atomic": 0.05796455273748184,
"volume": 69.00769196159888,
"volume_molar": 10.389350862886726,
"formula_full": "Ag3 W1",
"formula_reduced": "Ag3W",
"formula_anonymous": "AB3",
"energy": -17.98515687,
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"updated_at": "2021-11-28T01:37:08.922000Z",
"spacegroup": 225
},
{
"id": "mp-568392",
"created_at": "2022-09-04T14:44:55.188854Z",
"structure_string": "Ag40 Te16 Br12\n1.0\n7.818473 -8.000252 0.000000\n7.818473 8.000252 0.000000\n0.000000 0.000000 13.955313\nAg Te Br\n40 16 12\ndirect\n0.832111 0.360648 0.100182 Ag\n0.374421 0.625579 0.250000 Ag\n0.848615 0.370834 0.634551 Ag\n0.848615 0.370834 0.865449 Ag\n0.398530 0.325217 0.644880 Ag\n0.325217 0.398530 0.144880 Ag\n0.937353 0.877800 0.750000 Ag\n0.167889 0.639352 0.899818 Ag\n0.639352 0.167889 0.399818 Ag\n0.858768 0.141232 0.750000 Ag\n0.360648 0.832111 0.600182 Ag\n0.179777 0.018175 0.073829 Ag\n0.981825 0.820223 0.426171 Ag\n0.398530 0.325217 0.855120 Ag\n0.360648 0.832111 0.899818 Ag\n0.151385 0.629166 0.134551 Ag\n0.625579 0.374421 0.750000 Ag\n0.820223 0.981825 0.573829 Ag\n0.122200 0.062647 0.750000 Ag\n0.141232 0.858768 0.250000 Ag\n0.370834 0.848615 0.365449 Ag\n0.018175 0.179777 0.573829 Ag\n0.629166 0.151385 0.865449 Ag\n0.981825 0.820223 0.073829 Ag\n0.877800 0.937353 0.250000 Ag\n0.370834 0.848615 0.134551 Ag\n0.601470 0.674783 0.355120 Ag\n0.151385 0.629166 0.365449 Ag\n0.325217 0.398530 0.355120 Ag\n0.167889 0.639352 0.600182 Ag\n0.179777 0.018175 0.426171 Ag\n0.629166 0.151385 0.634551 Ag\n0.820223 0.981825 0.926171 Ag\n0.674783 0.601470 0.644880 Ag\n0.639352 0.167889 0.100182 Ag\n0.062647 0.122200 0.250000 Ag\n0.674783 0.601470 0.855120 Ag\n0.018175 0.179777 0.926171 Ag\n0.832111 0.360648 0.399818 Ag\n0.601470 0.674783 0.144880 Ag\n0.690556 0.951746 0.750000 Te\n0.291731 0.524442 0.750000 Te\n0.379630 0.620370 0.450605 Te\n0.886482 0.113518 0.409855 Te\n0.951746 0.690556 0.250000 Te\n0.048254 0.309444 0.750000 Te\n0.475558 0.708269 0.750000 Te\n0.309444 0.048254 0.250000 Te\n0.620370 0.379630 0.549395 Te\n0.524442 0.291731 0.250000 Te\n0.886482 0.113518 0.090145 Te\n0.379630 0.620370 0.049395 Te\n0.113518 0.886482 0.909855 Te\n0.113518 0.886482 0.590145 Te\n0.620370 0.379630 0.950605 Te\n0.708269 0.475558 0.250000 Te\n0.249583 0.249583 0.500000 Br\n0.890998 0.635828 0.750000 Br\n0.249583 0.249583 0.000000 Br\n0.750417 0.750417 0.500000 Br\n0.109002 0.364172 0.250000 Br\n0.000000 0.500000 0.500000 Br\n0.750417 0.750417 0.000000 Br\n0.364172 0.109002 0.750000 Br\n0.000000 0.500000 0.000000 Br\n0.635828 0.890998 0.250000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n",
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"elements": [
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"Te",
"Br"
],
"chemical_system": "Ag-Br-Te",
"density": 6.9579081584041775,
"density_atomic": 0.03895056194258206,
"volume": 1745.8027974086842,
"volume_molar": 15.460985566465972,
"formula_full": "Ag40 Te16 Br12",
"formula_reduced": "Ag10Te4Br3",
"formula_anonymous": "A3B4C10",
"energy": -208.57111242,
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"updated_at": "2021-11-28T01:36:42.987000Z",
"spacegroup": 63
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{
"id": "mp-568386",
"created_at": "2022-09-04T14:43:22.118930Z",
"structure_string": "Ag40 Te16 Br12\n1.0\n7.826930 -7.990400 0.000000\n7.826930 7.990400 0.000000\n0.000000 0.000000 13.915231\nAg Te Br\n40 16 12\ndirect\n0.881893 0.934111 0.216439 Ag\n0.152170 0.647345 0.358573 Ag\n0.825022 0.365058 0.098130 Ag\n0.174978 0.634942 0.598130 Ag\n0.313500 0.401874 0.340273 Ag\n0.886100 0.357865 0.359748 Ag\n0.352655 0.847830 0.358573 Ag\n0.604556 0.147741 0.631883 Ag\n0.642135 0.113900 0.359748 Ag\n0.852259 0.395444 0.631883 Ag\n0.357625 0.400616 0.124919 Ag\n0.625839 0.374161 0.737974 Ag\n0.598126 0.686500 0.340273 Ag\n0.798104 0.988392 0.552873 Ag\n0.634942 0.174978 0.098130 Ag\n0.025780 0.163587 0.908094 Ag\n0.400616 0.357625 0.624919 Ag\n0.988392 0.798104 0.052873 Ag\n0.357865 0.886100 0.859748 Ag\n0.599384 0.642375 0.124919 Ag\n0.647345 0.152170 0.858573 Ag\n0.147741 0.604556 0.131883 Ag\n0.163587 0.025780 0.408094 Ag\n0.836413 0.974220 0.908094 Ag\n0.934111 0.881893 0.716439 Ag\n0.365058 0.825022 0.598130 Ag\n0.401874 0.313500 0.840273 Ag\n0.201896 0.011608 0.052873 Ag\n0.974220 0.836413 0.408094 Ag\n0.065889 0.118107 0.216439 Ag\n0.146042 0.853958 0.219881 Ag\n0.113900 0.642135 0.859748 Ag\n0.118107 0.065889 0.716439 Ag\n0.395444 0.852259 0.131883 Ag\n0.642375 0.599384 0.624919 Ag\n0.011608 0.201896 0.552873 Ag\n0.374161 0.625839 0.237974 Ag\n0.853958 0.146042 0.719881 Ag\n0.847830 0.352655 0.858573 Ag\n0.686500 0.598126 0.840273 Ag\n0.630626 0.369374 0.538025 Te\n0.891066 0.108934 0.392197 Te\n0.369374 0.630626 0.038025 Te\n0.291849 0.524504 0.751732 Te\n0.049404 0.308592 0.739839 Te\n0.308592 0.049404 0.239839 Te\n0.691408 0.950596 0.739839 Te\n0.524504 0.291849 0.251732 Te\n0.119050 0.880950 0.572704 Te\n0.619112 0.380888 0.938775 Te\n0.950596 0.691408 0.239839 Te\n0.108934 0.891066 0.892197 Te\n0.880950 0.119050 0.072704 Te\n0.708151 0.475496 0.251732 Te\n0.475496 0.708151 0.751732 Te\n0.380888 0.619112 0.438775 Te\n0.505581 0.005141 0.991201 Br\n0.102793 0.362899 0.238343 Br\n0.251478 0.252536 0.990612 Br\n0.005141 0.505581 0.491201 Br\n0.637101 0.897207 0.238343 Br\n0.748522 0.747464 0.490612 Br\n0.747464 0.748522 0.990612 Br\n0.362899 0.102793 0.738343 Br\n0.252536 0.251478 0.490612 Br\n0.494419 0.994859 0.491201 Br\n0.897207 0.637101 0.738343 Br\n0.994859 0.494419 0.991201 Br\n",
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"elements": [
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],
"chemical_system": "Ag-Br-Te",
"density": 6.979004698072393,
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"volume": 1740.52548358504,
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"formula_full": "Ag40 Te16 Br12",
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"updated_at": "2021-11-28T01:36:21.097000Z",
"spacegroup": 36
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{
"id": "mp-1229222",
"created_at": "2022-09-04T14:46:55.036644Z",
"structure_string": "Ag40 Te16 Br4 Cl4\n1.0\n7.744135 0.000000 0.000000\n0.000000 14.127610 0.000000\n0.000000 14.110549 14.181823\nAg Te Br Cl\n40 16 4 4\ndirect\n0.696335 0.151359 0.146412 Ag\n0.803665 0.151359 0.646412 Ag\n0.303665 0.848641 0.853588 Ag\n0.196335 0.848641 0.353588 Ag\n0.706388 0.946634 0.352106 Ag\n0.793612 0.946634 0.852106 Ag\n0.293612 0.053366 0.647894 Ag\n0.206388 0.053366 0.147894 Ag\n0.993178 0.253584 0.359097 Ag\n0.506822 0.253584 0.859097 Ag\n0.006822 0.746416 0.640903 Ag\n0.493178 0.746416 0.140903 Ag\n0.992298 0.465733 0.143642 Ag\n0.507702 0.465733 0.643642 Ag\n0.007702 0.534267 0.856358 Ag\n0.492298 0.534267 0.356358 Ag\n0.643915 0.370730 0.249811 Ag\n0.856085 0.370730 0.749811 Ag\n0.356085 0.629270 0.750189 Ag\n0.143915 0.629270 0.250189 Ag\n0.624040 0.522256 0.899928 Ag\n0.875960 0.522256 0.399928 Ag\n0.375960 0.477744 0.100072 Ag\n0.124040 0.477744 0.600072 Ag\n0.374227 0.175893 0.399107 Ag\n0.125773 0.175893 0.899107 Ag\n0.625773 0.824107 0.600893 Ag\n0.874227 0.824107 0.100893 Ag\n0.936522 0.177282 0.249596 Ag\n0.563478 0.177282 0.749596 Ag\n0.063478 0.822718 0.750404 Ag\n0.436522 0.822718 0.250404 Ag\n0.874332 0.009346 0.572470 Ag\n0.625668 0.009346 0.072470 Ag\n0.125668 0.990654 0.427530 Ag\n0.374332 0.990654 0.927530 Ag\n0.870975 0.652743 0.927026 Ag\n0.629025 0.652743 0.427026 Ag\n0.129025 0.347257 0.072974 Ag\n0.370975 0.347257 0.572974 Ag\n0.764306 0.561867 0.249650 Te\n0.735694 0.561867 0.749650 Te\n0.235694 0.438133 0.750350 Te\n0.264306 0.438133 0.250350 Te\n0.717191 0.080251 0.411512 Te\n0.782809 0.080251 0.911512 Te\n0.282809 0.919749 0.588488 Te\n0.217191 0.919749 0.088488 Te\n0.713766 0.402930 0.088330 Te\n0.786234 0.402930 0.588330 Te\n0.286234 0.597070 0.911670 Te\n0.213766 0.597070 0.411670 Te\n0.787705 0.885707 0.249984 Te\n0.712295 0.885707 0.749984 Te\n0.212295 0.114293 0.750016 Te\n0.287705 0.114293 0.250016 Te\n0.475128 0.754155 0.499186 Br\n0.024872 0.754155 0.999186 Br\n0.524872 0.245845 0.500814 Br\n0.975128 0.245845 0.000814 Br\n0.982126 0.752276 0.498108 Cl\n0.517874 0.752276 0.998108 Cl\n0.017874 0.247724 0.501892 Cl\n0.482126 0.247724 0.001892 Cl\n",
"nsites": 64,
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"elements": [
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"Cl"
],
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"volume": 1551.5782157300828,
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"formula_full": "Ag40 Te16 Br4 Cl4",
"formula_reduced": "Ag10Te4BrCl",
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"updated_at": "2021-11-28T01:37:43.815000Z",
"spacegroup": 14
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{
"id": "mp-1215016",
"created_at": "2022-09-04T14:45:19.436951Z",
"structure_string": "Ag40 Te16 Br8\n1.0\n7.781336 0.000000 0.000000\n0.000000 14.183921 0.000000\n0.000000 0.000000 14.239499\nAg Te Br\n40 16 8\ndirect\n0.206528 0.352200 0.700252 Ag\n0.793472 0.647800 0.299748 Ag\n0.706528 0.147800 0.799748 Ag\n0.293472 0.852200 0.200252 Ag\n0.434983 0.250000 0.571663 Ag\n0.565017 0.750000 0.428337 Ag\n0.934983 0.250000 0.928337 Ag\n0.065017 0.750000 0.071663 Ag\n0.131501 0.073192 0.921302 Ag\n0.868499 0.926808 0.078698 Ag\n0.631501 0.426808 0.578698 Ag\n0.368499 0.573192 0.421302 Ag\n0.007078 0.857527 0.894010 Ag\n0.992922 0.142473 0.105990 Ag\n0.507078 0.642473 0.605990 Ag\n0.492922 0.357527 0.394010 Ag\n0.354047 0.750000 0.879651 Ag\n0.645953 0.250000 0.120349 Ag\n0.854047 0.750000 0.620349 Ag\n0.145953 0.250000 0.379651 Ag\n0.007078 0.642473 0.894010 Ag\n0.992922 0.357527 0.105990 Ag\n0.507078 0.857527 0.605990 Ag\n0.492922 0.142473 0.394010 Ag\n0.624425 0.601071 0.921007 Ag\n0.375575 0.398929 0.078993 Ag\n0.124425 0.898929 0.578993 Ag\n0.875575 0.101071 0.421007 Ag\n0.124425 0.601071 0.578993 Ag\n0.875575 0.398929 0.421007 Ag\n0.624425 0.898929 0.921007 Ag\n0.375575 0.101071 0.078993 Ag\n0.706528 0.352200 0.799748 Ag\n0.293472 0.647800 0.200252 Ag\n0.206528 0.147800 0.700252 Ag\n0.793472 0.852200 0.299748 Ag\n0.131501 0.426808 0.921302 Ag\n0.868499 0.573192 0.078698 Ag\n0.631501 0.073192 0.578698 Ag\n0.368499 0.926808 0.421302 Ag\n0.212373 0.411528 0.508695 Te\n0.787627 0.588472 0.491305 Te\n0.712373 0.088472 0.991305 Te\n0.287627 0.911528 0.008695 Te\n0.212373 0.088472 0.508695 Te\n0.787627 0.911528 0.491305 Te\n0.712373 0.411528 0.991305 Te\n0.287627 0.588472 0.008695 Te\n0.241736 0.750000 0.688223 Te\n0.758264 0.250000 0.311777 Te\n0.741736 0.750000 0.811777 Te\n0.258264 0.250000 0.188223 Te\n0.781553 0.250000 0.636024 Te\n0.218447 0.750000 0.363976 Te\n0.281553 0.250000 0.863976 Te\n0.718447 0.750000 0.136024 Te\n0.479624 0.499229 0.748791 Br\n0.520376 0.500771 0.251209 Br\n0.979624 0.000771 0.751209 Br\n0.020376 0.999229 0.248791 Br\n0.479624 0.000771 0.748791 Br\n0.520376 0.999229 0.251209 Br\n0.979624 0.499229 0.751209 Br\n0.020376 0.500771 0.248791 Br\n",
"nsites": 64,
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