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{
"id": "mp-1105028",
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"structure_string": "Ag2 Mo6 Se6\n1.0\n0.000000 0.000000 -4.531278\n-4.209500 -7.293990 0.000000\n-4.212085 7.295478 0.000000\nAg Mo Se\n2 6 6\ndirect\n0.750000 0.333441 0.666660 Ag\n0.250000 0.666559 0.333340 Ag\n0.750000 0.051441 0.847323 Mo\n0.750000 0.152777 0.204185 Mo\n0.750000 0.795762 0.948526 Mo\n0.250000 0.948559 0.152677 Mo\n0.250000 0.847223 0.795815 Mo\n0.250000 0.204238 0.051474 Mo\n0.750000 0.696605 0.601320 Se\n0.750000 0.398751 0.095434 Se\n0.750000 0.904639 0.303302 Se\n0.250000 0.303395 0.398680 Se\n0.250000 0.601249 0.904566 Se\n0.250000 0.095361 0.696698 Se\n",
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"spacegroup": 176
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{
"id": "mp-14029",
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"structure_string": "Ag8 Mo8 P8 O48\n1.0\n12.200895 0.000000 0.000000\n0.000000 6.435992 0.000000\n0.000000 5.782179 12.308068\nAg Mo P O\n8 8 8 48\ndirect\n0.801728 0.126513 0.854741 Ag\n0.301728 0.873487 0.645259 Ag\n0.198272 0.873487 0.145259 Ag\n0.698272 0.126513 0.354741 Ag\n0.710209 0.561384 0.877442 Ag\n0.210209 0.438616 0.622558 Ag\n0.289791 0.438616 0.122558 Ag\n0.789791 0.561384 0.377442 Ag\n0.898061 0.644904 0.613254 Mo\n0.398061 0.355096 0.886746 Mo\n0.101939 0.355096 0.386746 Mo\n0.601939 0.644904 0.113254 Mo\n0.600199 0.125125 0.629302 Mo\n0.100199 0.874875 0.870698 Mo\n0.399801 0.874875 0.370698 Mo\n0.899801 0.125125 0.129302 Mo\n0.960726 0.134588 0.623515 P\n0.460726 0.865412 0.876485 P\n0.039274 0.865412 0.376485 P\n0.539274 0.134588 0.123515 P\n0.614800 0.689777 0.561935 P\n0.114800 0.310223 0.938065 P\n0.385200 0.310223 0.438065 P\n0.885200 0.689777 0.061935 P\n0.834610 0.538952 0.742554 O\n0.334610 0.461048 0.757446 O\n0.165390 0.461048 0.257446 O\n0.665390 0.538952 0.242554 O\n0.537226 0.395250 0.857424 O\n0.037226 0.604750 0.642576 O\n0.462774 0.604750 0.142576 O\n0.962774 0.395250 0.357424 O\n0.702676 0.064468 0.728116 O\n0.202676 0.935532 0.771884 O\n0.297324 0.935532 0.271884 O\n0.797324 0.064468 0.228116 O\n0.672362 0.224563 0.505262 O\n0.172362 0.775437 0.994738 O\n0.327638 0.775437 0.494738 O\n0.827638 0.224563 0.005262 O\n0.570480 0.790736 0.937843 O\n0.737880 0.693982 0.533500 O\n0.070480 0.209264 0.562157 O\n0.929520 0.790736 0.437843 O\n0.978202 0.009814 0.746641 O\n0.478202 0.990186 0.753359 O\n0.021798 0.990186 0.253359 O\n0.521798 0.009814 0.246641 O\n0.569988 0.441052 0.618319 O\n0.069988 0.558948 0.881681 O\n0.430012 0.558948 0.381681 O\n0.930012 0.441052 0.118319 O\n0.596313 0.798327 0.643265 O\n0.096313 0.201673 0.856735 O\n0.403687 0.201673 0.356735 O\n0.903687 0.798327 0.143265 O\n0.605416 0.975619 0.084569 O\n0.105416 0.024381 0.415431 O\n0.394584 0.024381 0.915431 O\n0.894584 0.975619 0.584569 O\n0.614573 0.348135 0.095917 O\n0.114573 0.651865 0.404083 O\n0.385427 0.651865 0.904083 O\n0.885427 0.348135 0.595917 O\n0.554230 0.830199 0.454713 O\n0.054230 0.169801 0.045287 O\n0.445770 0.169801 0.545287 O\n0.945770 0.830199 0.954713 O\n0.762120 0.693982 0.033500 O\n0.262120 0.306018 0.466500 O\n0.237880 0.306018 0.966500 O\n0.429520 0.209264 0.062157 O\n",
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"formula_full": "Ag8 Mo8 P8 O48",
"formula_reduced": "AgMoPO6",
"formula_anonymous": "ABCD6",
"energy": -532.9742317,
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"updated_at": "2021-11-28T01:38:13.508000Z",
"spacegroup": 14
},
{
"id": "mp-1214906",
"created_at": "2022-09-04T14:42:45.646162Z",
"structure_string": "Ag2 Mo2 O8\n1.0\n-2.624343 2.624343 5.762918\n2.624343 -2.624343 5.762918\n2.624343 2.624343 -5.762918\nAg Mo O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Mo\n0.750000 0.250000 0.500000 Mo\n0.243175 0.329906 0.397583 O\n0.932323 0.845592 0.602417 O\n0.670094 0.067677 0.913269 O\n0.154408 0.756825 0.086731 O\n0.595592 0.493175 0.413269 O\n0.079906 0.182323 0.586731 O\n0.506825 0.920094 0.102417 O\n0.817677 0.404408 0.897583 O\n",
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"density_atomic": 0.0755853488400466,
"volume": 158.76092634558518,
"volume_molar": 7.967338713675886,
"formula_full": "Ag2 Mo2 O8",
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"formula_anonymous": "ABC4",
"energy": -82.68011390000001,
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"updated_at": "2021-11-28T01:35:57.294000Z",
"spacegroup": 88
},
{
"id": "mp-1103149",
"created_at": "2022-09-04T14:48:09.870991Z",
"structure_string": "Ag1 Mo1 H4 S4 N1\n1.0\n-4.130438 4.130438 2.934685\n4.130438 -4.130438 2.934685\n4.130438 4.130438 -2.934685\nAg Mo H S N\n1 1 4 4 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Mo\n0.632852 0.698335 0.131058 H\n0.567277 0.501794 0.868942 H\n0.498206 0.367148 0.065483 H\n0.301665 0.432723 0.934517 H\n0.739464 0.929083 0.578961 S\n0.350122 0.160503 0.421039 S\n0.839497 0.260536 0.189619 S\n0.070917 0.649878 0.810381 S\n0.500000 0.500000 0.000000 N\n",
"nsites": 11,
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"elements": [
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"H",
"S",
"N"
],
"chemical_system": "Ag-H-Mo-N-S",
"density": 2.9029247028101426,
"density_atomic": 0.05492612822689436,
"volume": 200.268985910678,
"volume_molar": 10.96407293651418,
"formula_full": "Ag1 Mo1 H4 S4 N1",
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"updated_at": "2021-11-28T01:38:32.990000Z",
"spacegroup": 82
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{
"id": "mp-1229143",
"created_at": "2022-09-04T14:43:57.611884Z",
"structure_string": "Ag4 Mo4 As4 O24\n1.0\n6.649047 0.000000 0.000000\n0.000000 7.338546 0.000000\n0.000000 0.000000 10.331767\nAg Mo As O\n4 4 4 24\ndirect\n0.519640 0.805619 0.505636 Ag\n0.980360 0.194381 0.005636 Ag\n0.019640 0.694381 0.494364 Ag\n0.480360 0.305619 0.994364 Ag\n0.251729 0.801319 0.829720 Mo\n0.248271 0.198681 0.329720 Mo\n0.751729 0.698681 0.170280 Mo\n0.748271 0.301319 0.670280 Mo\n0.249877 0.212868 0.659062 As\n0.250123 0.787132 0.159062 As\n0.749877 0.287132 0.340938 As\n0.750123 0.712868 0.840938 As\n0.544905 0.858341 0.841531 O\n0.955095 0.141659 0.341531 O\n0.044904 0.641659 0.158469 O\n0.455095 0.358341 0.658469 O\n0.455506 0.642164 0.156727 O\n0.044494 0.357836 0.656727 O\n0.955506 0.857836 0.843273 O\n0.544494 0.142164 0.343273 O\n0.250935 0.751701 0.661588 O\n0.249065 0.248299 0.161588 O\n0.750935 0.748299 0.338412 O\n0.749065 0.251701 0.838412 O\n0.255173 0.584222 0.898294 O\n0.244827 0.415778 0.398294 O\n0.755173 0.915778 0.101706 O\n0.744827 0.084222 0.601706 O\n0.249798 0.099853 0.804155 O\n0.250202 0.900147 0.304155 O\n0.749798 0.400147 0.195845 O\n0.750202 0.599853 0.695845 O\n0.254321 0.075465 0.525073 O\n0.245679 0.924535 0.025073 O\n0.754321 0.424535 0.474927 O\n0.745679 0.575465 0.974927 O\n",
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"formula_full": "Ag4 Mo4 As4 O24",
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},
{
"id": "mp-1229066",
"created_at": "2022-09-04T14:39:23.530535Z",
"structure_string": "Ag1 Mo6 Se4 S4\n1.0\n6.623526 0.000000 0.000000\n-0.136835 6.674173 0.000000\n-0.200871 -0.125112 6.700627\nAg Mo Se S\n1 6 4 4\ndirect\n0.999451 0.000013 0.998405 Ag\n0.559177 0.227752 0.413170 Mo\n0.411819 0.552149 0.229864 Mo\n0.216347 0.404402 0.558273 Mo\n0.443672 0.777471 0.587581 Mo\n0.588407 0.443073 0.776233 Mo\n0.786671 0.587138 0.444961 Mo\n0.627061 0.875779 0.254387 Se\n0.251847 0.622516 0.876396 Se\n0.218219 0.218834 0.225575 Se\n0.780119 0.777158 0.774731 Se\n0.133713 0.719642 0.390930 S\n0.388777 0.130862 0.721740 S\n0.725926 0.388677 0.133068 S\n0.868794 0.274534 0.614685 S\n",
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"chemical_system": "Ag-Mo-S-Se",
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"density_atomic": 0.050639465249960575,
"volume": 296.2116587518996,
"volume_molar": 11.892188691713502,
"formula_full": "Ag1 Mo6 Se4 S4",
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"spacegroup": 1
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{
"id": "mp-1214988",
"created_at": "2022-09-04T14:39:24.825850Z",
"structure_string": "Ag2 Mo12 Cl26\n1.0\n9.105344 0.000000 0.000000\n-3.806234 8.378461 0.000000\n-3.047556 -3.064493 13.508853\nAg Mo Cl\n2 12 26\ndirect\n0.017996 0.252513 0.772634 Ag\n0.982004 0.747487 0.227366 Ag\n0.314268 0.381936 0.542578 Mo\n0.685732 0.618064 0.457422 Mo\n0.363111 0.544539 0.401440 Mo\n0.636889 0.455461 0.598560 Mo\n0.702496 0.002909 0.064171 Mo\n0.297504 0.997091 0.935829 Mo\n0.604901 0.227525 0.025566 Mo\n0.395099 0.772475 0.974434 Mo\n0.455966 0.310265 0.413075 Mo\n0.544034 0.689735 0.586925 Mo\n0.447331 0.010153 0.119783 Mo\n0.552669 0.989847 0.880217 Mo\n0.067074 0.222914 0.597225 Cl\n0.932926 0.777086 0.402775 Cl\n0.236967 0.611249 0.528539 Cl\n0.763033 0.388751 0.471461 Cl\n0.745770 0.526961 0.066214 Cl\n0.254230 0.473039 0.933786 Cl\n0.160539 0.788613 0.028959 Cl\n0.839461 0.211387 0.971041 Cl\n0.412376 0.166861 0.551322 Cl\n0.587624 0.833139 0.448678 Cl\n0.508066 0.476202 0.286107 Cl\n0.491934 0.523798 0.713893 Cl\n0.354069 0.216257 0.074152 Cl\n0.645931 0.783743 0.925848 Cl\n0.541456 0.796531 0.149805 Cl\n0.458544 0.203469 0.850195 Cl\n0.389850 0.047227 0.290724 Cl\n0.610150 0.952773 0.709276 Cl\n0.741365 0.226694 0.197312 Cl\n0.258635 0.773306 0.802688 Cl\n0.964226 0.994462 0.146984 Cl\n0.035774 0.005538 0.853016 Cl\n0.154306 0.251595 0.367433 Cl\n0.845694 0.748405 0.632567 Cl\n0.179976 0.591081 0.266237 Cl\n0.820024 0.408919 0.733763 Cl\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.687880103720114,
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"volume": 1030.5737740176137,
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"formula_full": "Ag2 Mo12 Cl26",
"formula_reduced": "AgMo6Cl13",
"formula_anonymous": "AB6C13",
"energy": -235.20479770000003,
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"spacegroup": 2
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{
"id": "mp-680482",
"created_at": "2022-09-04T14:45:57.089535Z",
"structure_string": "Ag2 Mo12 Br26\n1.0\n9.572348 0.000000 0.000000\n-3.827231 8.918957 0.000000\n-3.229578 -3.232086 14.043235\nAg Mo Br\n2 12 26\ndirect\n0.045443 0.275872 0.772205 Ag\n0.954557 0.724128 0.227795 Ag\n0.461688 0.320953 0.415393 Mo\n0.631324 0.456674 0.595267 Mo\n0.549014 0.985496 0.883890 Mo\n0.691516 0.997770 0.062399 Mo\n0.538312 0.679047 0.584607 Mo\n0.450986 0.014504 0.116110 Mo\n0.601432 0.215510 0.024331 Mo\n0.308484 0.002230 0.937601 Mo\n0.368676 0.543326 0.404733 Mo\n0.323844 0.388362 0.540352 Mo\n0.676156 0.611638 0.459648 Mo\n0.398568 0.784490 0.975669 Mo\n0.416141 0.168068 0.550281 Br\n0.510046 0.477815 0.283483 Br\n0.159041 0.254130 0.364040 Br\n0.257826 0.774486 0.800285 Br\n0.644338 0.777994 0.925584 Br\n0.234180 0.611299 0.528471 Br\n0.926799 0.771984 0.404866 Br\n0.744366 0.519077 0.063168 Br\n0.583859 0.831932 0.449719 Br\n0.162276 0.798824 0.029776 Br\n0.395286 0.054851 0.290757 Br\n0.818661 0.407569 0.732786 Br\n0.046025 0.016617 0.850865 Br\n0.255634 0.480923 0.936832 Br\n0.489954 0.522185 0.716517 Br\n0.181339 0.592431 0.267214 Br\n0.953975 0.983383 0.149135 Br\n0.538413 0.798042 0.152059 Br\n0.461587 0.201958 0.847941 Br\n0.073201 0.228016 0.595134 Br\n0.604714 0.945149 0.709243 Br\n0.355662 0.222006 0.074416 Br\n0.765820 0.388701 0.471529 Br\n0.742174 0.225514 0.199715 Br\n0.840959 0.745870 0.635960 Br\n0.837724 0.201176 0.970224 Br\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.7706564881761055,
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"formula_full": "Ag2 Mo12 Br26",
"formula_reduced": "AgMo6Br13",
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"energy": -218.23009257,
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{
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},
{
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{
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{
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}
]
}