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},
{
"id": "jvasp-32154",
"created_at": "2022-09-04T14:37:38.295733Z",
"updated_at": "2022-09-04T14:37:38.295764Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347356 -0.000035 0.000047\n-1.673708 2.898874 0.000105\n0.000480 0.001716 35.992021\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666653 0.333360 0.415036 Te\n0.666568 0.333222 0.520666 Te\n0.333246 0.666536 0.098586 Mo\n0.333293 0.666622 0.467870 Mo\n0.666824 0.333527 0.274520 Mo\n0.666648 0.333318 0.661974 W\n0.333460 0.666802 0.320822 Se\n0.333286 0.666599 0.708416 Se\n0.333528 0.666918 0.228199 Se\n0.333351 0.666697 0.615455 Se\n0.666606 0.333257 0.056429 S\n0.666547 0.333150 0.140775 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.2625370497737824,
"density_atomic": 0.034359465008434724,
"volume": 349.24874403760896,
"volume_molar": 17.526875807064098,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.720243891666667,
"spacegroup": 156
},
{
"id": "jvasp-41297",
"created_at": "2022-09-04T14:37:38.293151Z",
"updated_at": "2022-09-04T14:37:38.293177Z",
"structure_string": "Na1 Ga1 H8 N2 F6\n1.0\n-0.000000 -4.267926 4.267926\n-4.267926 4.267926 -0.000000\n-0.000000 -4.267926 -4.267926\nNa Ga H N F\n1 1 8 2 6\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.459242 0.639496 0.819748 H\n0.180253 0.360505 0.819748 H\n0.180253 0.360505 0.540758 H\n0.180253 0.639496 0.819748 H\n0.819748 0.639496 0.180253 H\n0.819748 0.360505 0.180253 H\n0.540758 0.360505 0.180253 H\n0.819748 0.639496 0.459242 H\n0.750001 0.500000 0.250000 N\n0.250000 0.500000 0.750001 N\n0.774569 0.549138 0.774569 F\n0.225431 0.000000 0.225431 F\n0.225431 0.450863 0.225431 F\n0.774569 0.000000 0.225431 F\n0.225431 0.000000 0.774569 F\n0.774570 0.000000 0.774570 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Na",
"Ga",
"H",
"N",
"F"
],
"chemical_system": "F-Ga-H-N-Na",
"density": 2.5928748826602104,
"density_atomic": 0.11576888945016361,
"volume": 155.48218597837263,
"volume_molar": 5.201864497968102,
"formula_full": "Na1 Ga1 H8 N2 F6",
"formula_reduced": "NaGaH8(NF3)2",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 1.9285249733333345,
"spacegroup": 225
}
]
}