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"structure_string": "Sr2 V1 In1 O6\n1.0\n0.000000 -4.032660 -4.032660\n4.032660 0.000000 -4.032660\n4.032660 -4.032660 0.000000\nSr V In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 V\n-0.000000 -0.000000 0.000000 In\n0.735054 0.264946 0.264946 O\n0.264946 0.735054 0.735054 O\n0.735054 0.264946 0.735054 O\n0.264946 0.735054 0.264946 O\n0.735054 0.735054 0.264946 O\n0.264946 0.264946 0.735054 O\n",
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"nelements": 4,
"elements": [
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"In",
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],
"chemical_system": "In-O-Sr-V",
"density": 5.532502790688191,
"density_atomic": 0.07624215827226508,
"volume": 131.1610298896502,
"volume_molar": 7.898701842220407,
"formula_full": "Sr2 V1 In1 O6",
"formula_reduced": "Sr2VInO6",
"formula_anonymous": "ABC2D6",
"energy": -71.586815,
"energy_per_atom": -7.1586815,
"energy_above_hull": null,
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"energy_uncorrected": -65.764815,
"band_gap": 1.7975,
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"updated_at": "2021-11-28T01:34:38.431000Z",
"spacegroup": 225
},
{
"id": "mp-1218711",
"created_at": "2022-09-04T14:44:41.403328Z",
"structure_string": "Sr10 V6 H2 O26\n1.0\n0.000000 0.000000 -7.491799\n-5.115242 -8.860212 0.000000\n-5.115320 8.860258 0.000000\nSr V H O\n10 6 2 26\ndirect\n0.000994 0.333360 0.666678 Sr\n0.500994 0.666640 0.333322 Sr\n0.998938 0.666639 0.333321 Sr\n0.498938 0.333361 0.666679 Sr\n0.249103 0.747578 0.994430 Sr\n0.249102 0.005583 0.753143 Sr\n0.249101 0.246844 0.252434 Sr\n0.749103 0.252422 0.005570 Sr\n0.749102 0.994417 0.246857 Sr\n0.749101 0.753156 0.747566 Sr\n0.249454 0.969463 0.367555 V\n0.249453 0.632456 0.601923 V\n0.249466 0.398086 0.030530 V\n0.749454 0.030537 0.632445 V\n0.749453 0.367544 0.398077 V\n0.749466 0.601914 0.969470 V\n0.572655 0.000000 0.000001 H\n0.072655 0.000000 0.999999 H\n0.250216 0.871657 0.467595 O\n0.250216 0.532390 0.404061 O\n0.250221 0.595931 0.128330 O\n0.750216 0.128343 0.532405 O\n0.750216 0.467610 0.595939 O\n0.750221 0.404069 0.871670 O\n0.249611 0.165585 0.484806 O\n0.249613 0.515208 0.680783 O\n0.249615 0.319220 0.834415 O\n0.749611 0.834415 0.515194 O\n0.749613 0.484792 0.319217 O\n0.749615 0.680780 0.165585 O\n0.064708 0.907849 0.249979 O\n0.064704 0.750021 0.657871 O\n0.064718 0.342136 0.092145 O\n0.564708 0.092151 0.750021 O\n0.564704 0.249979 0.342129 O\n0.564718 0.657864 0.907855 O\n0.933424 0.091388 0.751641 O\n0.933429 0.248361 0.339749 O\n0.933442 0.660253 0.908610 O\n0.433424 0.908612 0.248359 O\n0.433429 0.751639 0.660251 O\n0.433442 0.339747 0.091390 O\n0.203416 0.000002 0.999996 O\n0.703416 0.999998 0.000004 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "H-O-Sr-V",
"density": 3.911986236504394,
"density_atomic": 0.06479206579536988,
"volume": 679.0954951021843,
"volume_molar": 9.294565138607373,
"formula_full": "Sr10 V6 H2 O26",
"formula_reduced": "Sr5V3HO13",
"formula_anonymous": "AB3C5D13",
"energy": -336.98864775,
"energy_per_atom": -7.658832903409091,
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"total_magnetization": 0.004509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.980000Z",
"spacegroup": 173
}
]
}