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"structure_string": "Na4 Tb2 P2 C2 O14\n1.0\n0.000000 5.034325 -0.005768\n6.990519 0.000000 0.000000\n0.000000 -0.149542 -9.413625\nTb Na P C O\n2 4 2 2 14\ndirect\n0.771580 0.750000 0.377073 Tb\n0.228419 0.250000 0.622927 Tb\n0.234750 0.488079 0.207315 Na\n0.234750 0.011922 0.207315 Na\n0.765249 0.511922 0.792685 Na\n0.765249 0.988079 0.792685 Na\n0.697042 0.250000 0.410360 P\n0.302957 0.750000 0.589640 P\n0.733264 0.750000 0.083915 C\n0.266735 0.250000 0.916084 C\n0.470149 0.250000 0.828735 O\n0.180287 0.931416 0.654280 O\n0.180287 0.568584 0.654280 O\n0.750260 0.250000 0.575720 O\n0.610709 0.750000 0.608377 O\n0.389291 0.250000 0.391623 O\n0.965505 0.750000 0.148186 O\n0.819712 0.431416 0.345720 O\n0.819712 0.068584 0.345720 O\n0.529851 0.750000 0.171265 O\n0.034494 0.250000 0.851814 O\n0.297266 0.250000 0.049072 O\n0.249740 0.750000 0.424280 O\n0.702733 0.750000 0.950928 O\n",
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{
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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.318470 -0.000001 -0.000001\n-1.659236 2.873941 0.000062\n-0.000009 0.000844 38.744217\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333324 0.666650 0.331988 Te\n0.333337 0.666677 0.233012 Te\n0.333317 0.666635 0.092904 Mo\n0.333291 0.666582 0.469975 Mo\n0.666671 0.333342 0.282454 Mo\n0.666703 0.333410 0.657505 W\n0.666694 0.333389 0.049888 Se\n0.666681 0.333365 0.136183 Se\n0.333316 0.666634 0.696957 S\n0.666669 0.333338 0.430571 S\n0.666661 0.333322 0.509473 S\n0.333324 0.666648 0.617838 S\n",
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{
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],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.250334501844066,
"density_atomic": 0.03521551267024519,
"volume": 340.7589181610642,
"volume_molar": 17.100818086593744,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122187075,
"spacegroup": 156
},
{
"id": "jvasp-28842",
"created_at": "2022-09-04T14:37:03.728948Z",
"updated_at": "2022-09-04T14:37:03.728974Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n3.309535 0.000000 0.000000\n-1.654768 2.866157 0.000161\n0.000000 0.002100 40.723856\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.666693 0.333384 0.421081 Te\n0.666622 0.333241 0.515179 Te\n0.333323 0.666646 0.468147 Mo\n0.333389 0.666777 0.094004 W\n0.666678 0.333354 0.280569 W\n0.666612 0.333223 0.660215 W\n0.333245 0.666489 0.701552 Se\n0.333310 0.666622 0.618762 Se\n0.333315 0.666632 0.318270 S\n0.666753 0.333504 0.056392 S\n0.666693 0.333385 0.131695 S\n0.333374 0.666749 0.242881 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.11042077757439,
"density_atomic": 0.031064573812473045,
"volume": 386.29211758835595,
"volume_molar": 19.385879221629597,
"formula_full": "Te2 Mo1 W3 Se2 S4",
"formula_reduced": "Te2MoW3(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.220089847222222,
"spacegroup": 156
}
]
}