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{
"id": "mp-1183000",
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"structure_string": "Ag1 C8 S4 N4 Cl1\n1.0\n-6.806679 6.806679 2.779571\n6.806679 -6.806679 2.779571\n6.806679 6.806679 -2.779571\nAg C S N Cl\n1 8 4 4 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.856045 0.526135 0.810143 C\n0.715991 0.045901 0.189857 C\n0.954099 0.143955 0.670090 C\n0.473865 0.284009 0.329910 C\n0.840375 0.506302 0.938787 C\n0.567516 0.901588 0.061213 C\n0.098412 0.159625 0.665928 C\n0.493698 0.432484 0.334072 C\n0.826864 0.504086 0.091796 S\n0.412291 0.735067 0.908204 S\n0.264933 0.173136 0.677224 S\n0.495914 0.587709 0.322776 S\n0.878551 0.564949 0.696872 N\n0.868077 0.181679 0.303128 N\n0.818321 0.121449 0.686399 N\n0.435051 0.131923 0.313601 N\n0.750000 0.250000 0.500000 Cl\n",
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{
"id": "mp-1183010",
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"structure_string": "Ag1 C8 S4 N4 Cl1\n1.0\n0.000000 0.000000 -5.111396\n-6.826357 -6.826357 -2.555698\n-6.826357 6.826357 -2.555698\nAg C S N Cl\n1 8 4 4 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.547972 0.322015 0.193719 C\n0.063707 0.677985 0.806281 C\n0.130013 0.806281 0.322015 C\n0.258308 0.193719 0.677985 C\n0.571168 0.309753 0.060007 C\n0.940927 0.690247 0.939993 C\n0.119079 0.939993 0.309753 C\n0.368826 0.060007 0.690247 C\n0.684079 0.238969 0.913510 S\n0.836558 0.761031 0.086490 S\n0.076952 0.086490 0.238969 S\n0.402411 0.913510 0.761031 S\n0.559241 0.313635 0.313026 N\n0.185903 0.686365 0.686974 N\n0.127123 0.686974 0.313635 N\n0.127733 0.313026 0.686365 N\n0.250000 0.500000 0.500000 Cl\n",
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"formula_full": "Ag1 C8 S4 N4 Cl1",
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"updated_at": "2021-11-28T01:38:05.150000Z",
"spacegroup": 82
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{
"id": "mp-1214982",
"created_at": "2022-09-04T14:43:12.519748Z",
"structure_string": "Ag1 C6\n1.0\n2.572782 -6.260844 0.000000\n2.572782 6.260844 0.000000\n0.000000 0.000000 5.283314\nAg C\n1 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.379603 C\n0.000000 0.000000 0.620397 C\n0.376610 0.881278 0.000000 C\n0.623390 0.118722 0.000000 C\n0.881278 0.376610 0.000000 C\n0.118722 0.623390 0.000000 C\n",
"nsites": 7,
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"elements": [
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"density": 1.7554407701141153,
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"volume": 170.20499046953026,
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"formula_full": "Ag1 C6",
"formula_reduced": "AgC6",
"formula_anonymous": "AB6",
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"updated_at": "2021-11-28T01:36:01.133000Z",
"spacegroup": 65
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{
"id": "mp-561205",
"created_at": "2022-09-04T14:39:15.299231Z",
"structure_string": "Ag4 C16 O4 F36\n1.0\n6.987795 0.000000 0.000000\n0.356323 10.392495 0.000000\n0.123464 0.982319 10.979481\nAg C O F\n4 16 4 36\ndirect\n0.798515 0.908786 0.582961 Ag\n0.201485 0.091214 0.417039 Ag\n0.689032 0.029963 0.323608 Ag\n0.310968 0.970037 0.676392 Ag\n0.545576 0.357158 0.231396 C\n0.454424 0.642842 0.768604 C\n0.931496 0.166089 0.797672 C\n0.838600 0.272045 0.586351 C\n0.790692 0.702741 0.829865 C\n0.422370 0.244594 0.189343 C\n0.577630 0.755406 0.810657 C\n0.820935 0.707200 0.334125 C\n0.179065 0.292800 0.665875 C\n0.498239 0.796650 0.936802 C\n0.994213 0.800805 0.337437 C\n0.005787 0.199195 0.662563 C\n0.161400 0.727955 0.413649 C\n0.068504 0.833911 0.202328 C\n0.209308 0.297259 0.170135 C\n0.501761 0.203350 0.063198 C\n0.058091 0.086822 0.609720 O\n0.427420 0.139835 0.275319 O\n0.572580 0.860165 0.724681 O\n0.941909 0.913178 0.390280 O\n0.295966 0.813211 0.441579 F\n0.747545 0.364986 0.645142 F\n0.377822 0.125406 0.014055 F\n0.185363 0.379165 0.068779 F\n0.466921 0.694828 0.019026 F\n0.814637 0.620835 0.931221 F\n0.148799 0.360417 0.267365 F\n0.753085 0.117710 0.797298 F\n0.622178 0.874594 0.985945 F\n0.875543 0.586484 0.309292 F\n0.671255 0.134982 0.078653 F\n0.047293 0.074322 0.857111 F\n0.909568 0.802744 0.837455 F\n0.264017 0.674434 0.777629 F\n0.308004 0.244836 0.751516 F\n0.735983 0.325566 0.222371 F\n0.906665 0.326723 0.478712 F\n0.513438 0.471755 0.165244 F\n0.725931 0.697651 0.442838 F\n0.491037 0.625415 0.650054 F\n0.533079 0.305172 0.980974 F\n0.328745 0.865018 0.921347 F\n0.075967 0.729757 0.136920 F\n0.508963 0.374585 0.349946 F\n0.851201 0.639583 0.732635 F\n0.486562 0.528245 0.834756 F\n0.090432 0.197256 0.162545 F\n0.252455 0.635014 0.354858 F\n0.952707 0.925678 0.142889 F\n0.124457 0.413516 0.690708 F\n0.691996 0.755164 0.248484 F\n0.704034 0.186789 0.558421 F\n0.274069 0.302349 0.557162 F\n0.246915 0.882290 0.202702 F\n0.924033 0.270243 0.863080 F\n0.093335 0.673277 0.521288 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
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"C",
"O",
"F"
],
"chemical_system": "Ag-C-F-O",
"density": 2.8564705628286124,
"density_atomic": 0.0752505119655165,
"volume": 797.3367679876378,
"volume_molar": 8.00279041657503,
"formula_full": "Ag4 C16 O4 F36",
"formula_reduced": "AgC4OF9",
"formula_anonymous": "ABC4D9",
"energy": -346.09516762,
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"updated_at": "2021-11-28T01:34:36.192000Z",
"spacegroup": 2
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{
"id": "mp-1189890",
"created_at": "2022-09-04T14:40:55.077356Z",
"structure_string": "Ag2 C8 N2 Cl4\n1.0\n-3.561429 3.733044 7.283337\n3.561429 -3.733044 7.283337\n3.561429 3.733044 -7.283337\nAg C N Cl\n2 8 2 4\ndirect\n0.500000 0.751539 0.251539 Ag\n0.500000 0.248461 0.748461 Ag\n0.348900 0.253933 0.094967 C\n0.841034 0.746067 0.094967 C\n0.158965 0.253933 0.905033 C\n0.651100 0.746067 0.905033 C\n0.165875 0.987276 0.821401 C\n0.834125 0.012724 0.178599 C\n0.165875 0.344474 0.178599 C\n0.834125 0.655526 0.821401 C\n0.140269 0.140269 0.000000 N\n0.859731 0.859731 0.000000 N\n0.621017 0.121017 0.500000 Cl\n0.378983 0.878983 0.500000 Cl\n0.267961 0.500000 0.767961 Cl\n0.732039 0.500000 0.232039 Cl\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Ag-C-Cl-N",
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"volume": 387.32702145063115,
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"formula_full": "Ag2 C8 N2 Cl4",
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{
"id": "mp-29672",
"created_at": "2022-09-04T14:47:23.432504Z",
"structure_string": "Ag2 C8 N6\n1.0\n-3.120527 4.000379 5.532483\n3.120527 -4.000379 5.532483\n3.120527 4.000379 -5.532483\nAg C N\n2 8 6\ndirect\n0.878073 0.148264 0.770191 Ag\n0.121927 0.892117 0.270191 Ag\n0.449473 0.156441 0.903073 C\n0.246632 0.453600 0.403073 C\n0.297700 0.637938 0.840238 C\n0.702300 0.542539 0.340238 C\n0.753368 0.156441 0.206968 C\n0.550527 0.453600 0.706968 C\n0.367258 0.519547 0.652288 C\n0.632742 0.285030 0.152288 C\n0.144818 0.399362 0.195187 N\n0.761721 0.757232 0.495511 N\n0.238279 0.733790 0.995511 N\n0.855182 0.050369 0.254544 N\n0.295825 0.050369 0.695187 N\n0.704175 0.399362 0.754544 N\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.3794904633031986,
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"volume": 276.25437387872506,
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"formula_full": "Ag2 C8 N6",
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{
"id": "mp-1214977",
"created_at": "2022-09-04T14:39:24.568867Z",
"structure_string": "Ag4 C16 Br8 O8\n1.0\n5.817869 0.000000 0.000000\n0.000000 9.827713 0.000000\n0.000000 6.794825 11.104688\nAg C Br O\n4 16 8 8\ndirect\n0.786770 0.578150 0.495994 Ag\n0.213230 0.421850 0.504006 Ag\n0.286770 0.421850 0.004006 Ag\n0.713230 0.578150 0.995994 Ag\n0.369911 0.877503 0.500706 C\n0.630089 0.122497 0.499294 C\n0.869911 0.122497 0.999294 C\n0.130089 0.877503 0.000706 C\n0.840662 0.962925 0.091935 C\n0.159338 0.037075 0.908065 C\n0.340662 0.037075 0.408065 C\n0.659338 0.962925 0.591935 C\n0.738344 0.255827 0.999784 C\n0.261656 0.744173 0.000216 C\n0.238344 0.744173 0.500216 C\n0.761656 0.255827 0.499784 C\n0.972416 0.842954 0.092825 C\n0.027584 0.157046 0.907175 C\n0.472416 0.157046 0.407175 C\n0.527584 0.842954 0.592825 C\n0.946675 0.628760 0.222714 Br\n0.053325 0.371240 0.777286 Br\n0.446675 0.371240 0.277286 Br\n0.553325 0.628760 0.722714 Br\n0.620580 0.910279 0.214592 Br\n0.379420 0.089721 0.785408 Br\n0.120580 0.089721 0.285408 Br\n0.879420 0.910279 0.714592 Br\n0.855201 0.345109 0.024594 O\n0.144799 0.654891 0.975406 O\n0.355201 0.654891 0.475406 O\n0.644799 0.345109 0.524594 O\n0.474198 0.734346 0.023425 O\n0.525802 0.265654 0.976575 O\n0.974198 0.265654 0.476575 O\n0.025802 0.734346 0.523425 O\n",
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"formula_full": "Ag4 C16 Br8 O8",
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"spacegroup": 14
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{
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"structure_string": "Ag8 C16 S16 N32 Cl8\n1.0\n8.929626 0.000000 0.000000\n0.000000 5.454565 0.000000\n0.000000 2.642921 35.892527\nAg C S N Cl\n8 16 16 32 8\ndirect\n0.831694 0.159000 0.102571 Ag\n0.168306 0.841000 0.897429 Ag\n0.331694 0.841000 0.397429 Ag\n0.668306 0.159000 0.602571 Ag\n0.209230 0.171195 0.320068 Ag\n0.790770 0.828805 0.679932 Ag\n0.709230 0.828805 0.179932 Ag\n0.290770 0.171195 0.820068 Ag\n0.095536 0.473678 0.141601 C\n0.904464 0.526322 0.858399 C\n0.595536 0.526322 0.358399 C\n0.404464 0.473678 0.641601 C\n0.376026 0.152103 0.254035 C\n0.623974 0.847897 0.745965 C\n0.876026 0.847897 0.245965 C\n0.123974 0.152103 0.754035 C\n0.157219 0.380044 0.026101 C\n0.842781 0.619956 0.973899 C\n0.657219 0.619956 0.473899 C\n0.342781 0.380044 0.526101 C\n0.000371 0.148938 0.409343 C\n0.999629 0.851062 0.590657 C\n0.500371 0.851062 0.090657 C\n0.499629 0.148938 0.909343 C\n0.836016 0.128872 0.220718 S\n0.163984 0.871128 0.779282 S\n0.336016 0.871128 0.279282 S\n0.663984 0.128872 0.720718 S\n0.581966 0.051685 0.126493 S\n0.418034 0.948315 0.873507 S\n0.081966 0.948315 0.373507 S\n0.918034 0.051685 0.626493 S\n0.114089 0.161023 0.092823 S\n0.885911 0.838977 0.907177 S\n0.614089 0.838977 0.407177 S\n0.385911 0.161023 0.592823 S\n0.406233 0.358645 0.367933 S\n0.593767 0.641355 0.632067 S\n0.906233 0.641355 0.132067 S\n0.093767 0.358645 0.867933 S\n0.167311 0.291219 0.130107 N\n0.832689 0.708781 0.869893 N\n0.667311 0.708781 0.369893 N\n0.332689 0.291219 0.630107 N\n0.124172 0.400773 0.058947 N\n0.875828 0.599227 0.941053 N\n0.624172 0.599227 0.441053 N\n0.375828 0.400773 0.558947 N\n0.452907 0.982060 0.061233 N\n0.547093 0.017940 0.938767 N\n0.952907 0.017940 0.438767 N\n0.047093 0.982060 0.561233 N\n0.075790 0.655641 0.161053 N\n0.924210 0.344359 0.838947 N\n0.575790 0.344359 0.338947 N\n0.424210 0.655641 0.661053 N\n0.315300 0.323802 0.272350 N\n0.684700 0.676198 0.727650 N\n0.815300 0.676198 0.227650 N\n0.184700 0.323802 0.772350 N\n0.500826 0.618210 0.100517 N\n0.499174 0.381790 0.899483 N\n0.000826 0.381790 0.399483 N\n0.999174 0.618210 0.600517 N\n0.452664 0.157615 0.221556 N\n0.547336 0.842385 0.778444 N\n0.952664 0.842385 0.278444 N\n0.047336 0.157615 0.721556 N\n0.157413 0.381263 0.991728 N\n0.842587 0.618737 0.008272 N\n0.657413 0.618737 0.508272 N\n0.342587 0.381263 0.491728 N\n0.949405 0.557473 0.301823 Cl\n0.050595 0.442527 0.698177 Cl\n0.449405 0.442527 0.198177 Cl\n0.550595 0.557473 0.801823 Cl\n0.684106 0.539502 0.033521 Cl\n0.315894 0.460498 0.966479 Cl\n0.184106 0.460498 0.466479 Cl\n0.815894 0.539502 0.533521 Cl\n",
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"elements": [
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],
"chemical_system": "Ag-C-Cl-N-S",
"density": 2.1846335565227823,
"density_atomic": 0.04576068955603421,
"volume": 1748.225404296838,
"volume_molar": 13.160074331104333,
"formula_full": "Ag8 C16 S16 N32 Cl8",
"formula_reduced": "AgC2S2N4Cl",
"formula_anonymous": "ABC2D2E4",
"energy": -468.37080501,
"energy_per_atom": -5.854635062625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -451.90680501,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 16.1789765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:53.971000Z",
"spacegroup": 14
},
{
"id": "mp-726944",
"created_at": "2022-09-04T14:40:05.641974Z",
"structure_string": "Ag4 C8 S8 N12\n1.0\n23.972924 0.000000 0.000000\n0.000000 4.039409 0.000000\n0.000000 0.813652 7.126635\nAg C S N\n4 8 8 12\ndirect\n0.302178 0.090724 0.537531 Ag\n0.197822 0.590724 0.037531 Ag\n0.697822 0.909276 0.462469 Ag\n0.802178 0.409276 0.962469 Ag\n0.433657 0.008030 0.687294 C\n0.066343 0.508030 0.187294 C\n0.566343 0.991970 0.312706 C\n0.933657 0.491970 0.812706 C\n0.309616 0.997306 0.994734 C\n0.190384 0.497306 0.494734 C\n0.690384 0.002694 0.005266 C\n0.809616 0.502694 0.505266 C\n0.397890 0.868552 0.516666 S\n0.102110 0.368552 0.016666 S\n0.602110 0.131448 0.483334 S\n0.897890 0.631448 0.983334 S\n0.251378 0.093579 0.872779 S\n0.248622 0.593579 0.372779 S\n0.748622 0.906421 0.127221 S\n0.751378 0.406421 0.627221 S\n0.462092 0.111075 0.802896 N\n0.037908 0.611075 0.302896 N\n0.537908 0.888925 0.197104 N\n0.962092 0.388925 0.697104 N\n0.349644 0.917611 0.083274 N\n0.150356 0.417611 0.583274 N\n0.650356 0.082389 0.916726 N\n0.849644 0.582389 0.416726 N\n0.439290 0.432382 0.165786 N\n0.060710 0.932382 0.665786 N\n0.560710 0.567618 0.834214 N\n0.939290 0.067618 0.334214 N\n",
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"elements": [
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],
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"density": 2.2910529644551763,
"density_atomic": 0.04636888198172763,
"volume": 690.1179979411643,
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"formula_full": "Ag4 C8 S8 N12",
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"updated_at": "2021-11-28T01:34:45.286000Z",
"spacegroup": 14
}
]
}