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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.315186 0.000000 -0.000000\n-1.657594 2.871037 -0.000008\n-0.000000 -0.000279 35.865944\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.666687 0.333372 0.416898 Te\n0.666698 0.333394 0.524416 Te\n0.333297 0.666591 0.098171 Mo\n0.666680 0.333357 0.275483 Mo\n0.666670 0.333338 0.658618 Mo\n0.333361 0.666719 0.470647 W\n0.333355 0.666709 0.322257 Se\n0.333337 0.666673 0.228696 Se\n0.333330 0.666660 0.701159 S\n0.666632 0.333259 0.055605 S\n0.666628 0.333254 0.140770 S\n0.333341 0.666681 0.616026 S\n",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.350700 0.000000 0.000000\n-1.675350 2.901706 0.000006\n0.000000 0.000082 37.937828\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666644 0.333286 0.419600 Te\n0.666643 0.333286 0.519686 Te\n0.333330 0.666662 0.093971 Mo\n0.333316 0.666633 0.469678 Mo\n0.666680 0.333359 0.281733 W\n0.666684 0.333369 0.657576 W\n0.333357 0.666714 0.325878 Se\n0.333358 0.666718 0.701547 Se\n0.333355 0.666712 0.237547 Se\n0.333362 0.666726 0.613439 Se\n0.666636 0.333272 0.054085 S\n0.666636 0.333272 0.134008 S\n",
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"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.408434 0.000000 0.000000\n-1.704216 2.951801 0.000009\n0.000000 0.000112 38.647904\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333352 0.666707 0.706300 Te\n0.666639 0.333279 0.420629 Te\n0.666633 0.333269 0.518176 Te\n0.333356 0.666715 0.609024 Te\n0.666690 0.333383 0.281797 Mo\n0.333311 0.666625 0.093916 W\n0.333301 0.666603 0.469523 W\n0.666689 0.333380 0.657687 W\n0.666650 0.333299 0.051274 Se\n0.666645 0.333291 0.136798 Se\n0.333356 0.666715 0.320743 S\n0.333364 0.666731 0.242880 S\n",
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"created_at": "2022-09-04T14:36:50.442701Z",
"updated_at": "2022-09-04T14:36:50.442723Z",
"structure_string": "K1 Mn1 Ag3 C6 N6\n1.0\n3.355144 -5.811279 0.000000\n3.355144 5.811279 -0.000000\n-0.000000 0.000000 7.656023\nK Mn Ag C N\n1 1 3 6 6\ndirect\n0.666666 0.333332 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.011761 0.505881 0.500000 Ag\n0.494117 0.988238 0.500000 Ag\n0.494118 0.505881 0.500000 Ag\n0.659423 0.990663 0.724153 C\n0.331240 0.340575 0.724153 C\n0.009336 0.340576 0.275846 C\n0.659423 0.668759 0.275846 C\n0.009336 0.668759 0.724153 C\n0.331240 0.990663 0.275846 C\n0.225141 0.995416 0.155904 N\n0.004583 0.229724 0.155904 N\n0.770274 0.995415 0.844095 N\n0.004583 0.774857 0.844095 N\n0.770274 0.774857 0.155904 N\n0.225142 0.229724 0.844095 N\n",
"nsites": 17,
"nelements": 5,
"elements": [
"K",
"Mn",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-K-Mn-N",
"density": 3.19118628194902,
"density_atomic": 0.05694201158087445,
"volume": 298.5493404260049,
"volume_molar": 10.575918540297412,
"formula_full": "K1 Mn1 Ag3 C6 N6",
"formula_reduced": "KMnAg3(CN)6",
"formula_anonymous": "ABC3D6E6",
"energy_above_hull": 5.140370383610548,
"spacegroup": 149
}
]
}