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{
"id": "mp-1204058",
"created_at": "2022-09-04T14:41:16.062199Z",
"structure_string": "Zn3 Cu2 H14 S2 O18\n1.0\n5.453295 0.000000 0.000000\n-0.039298 6.442765 0.000000\n-0.043169 -0.838388 10.596897\nZn Cu H S O\n3 2 14 2 18\ndirect\n0.000000 0.000000 0.000000 Zn\n0.491782 0.749771 0.499625 Zn\n0.508218 0.250229 0.500375 Zn\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.778536 0.345166 0.069645 H\n0.221464 0.654834 0.930355 H\n0.645171 0.268558 0.937257 H\n0.354829 0.731442 0.062743 H\n0.801842 0.672616 0.856630 H\n0.198158 0.327384 0.143370 H\n0.579426 0.809804 0.910313 H\n0.420574 0.190196 0.089687 H\n0.882012 0.222740 0.323595 H\n0.117988 0.777260 0.676405 H\n0.305445 0.993835 0.320118 H\n0.694555 0.006165 0.679882 H\n0.310750 0.491519 0.322739 H\n0.689250 0.508481 0.677261 H\n0.227216 0.300218 0.780854 S\n0.772784 0.699782 0.219146 S\n0.210876 0.274179 0.639267 O\n0.789124 0.725821 0.360733 O\n0.487075 0.345564 0.817747 O\n0.512925 0.654436 0.182253 O\n0.069446 0.477834 0.828393 O\n0.930554 0.522166 0.171607 O\n0.139793 0.101928 0.829104 O\n0.860207 0.898072 0.170896 O\n0.318933 0.998485 0.411775 O\n0.681067 0.001515 0.588225 O\n0.316613 0.482804 0.413779 O\n0.683387 0.517196 0.586221 O\n0.861208 0.236793 0.414836 O\n0.138792 0.763207 0.585164 O\n0.289173 0.779642 0.981439 O\n0.710827 0.220358 0.018561 O\n0.748793 0.817074 0.875819 O\n0.251207 0.182926 0.124181 O\n",
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"elements": [
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"formula_full": "Zn3 Cu2 H14 S2 O18",
"formula_reduced": "Zn3Cu2H14(SO9)2",
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"updated_at": "2021-11-28T01:35:15.136000Z",
"spacegroup": 2
},
{
"id": "mp-1044883",
"created_at": "2022-09-04T14:41:15.994456Z",
"structure_string": "La2 Mg2 Ti2 Cr2 O12\n1.0\n5.505276 0.000000 0.000000\n0.000000 5.370028 0.000000\n0.000000 5.359387 7.710195\nLa Mg Ti Cr O\n2 2 2 2 12\ndirect\n0.213476 0.742425 0.250456 La\n0.786524 0.742425 0.750456 La\n0.703259 0.265140 0.252035 Mg\n0.296741 0.265140 0.752035 Mg\n0.256379 0.502181 0.998814 Ti\n0.743621 0.502181 0.498814 Ti\n0.248873 0.999106 0.500848 Cr\n0.751127 0.999106 0.000848 Cr\n0.706350 0.177327 0.747129 O\n0.468685 0.731701 0.046766 O\n0.473273 0.332378 0.449067 O\n0.948232 0.628220 0.058048 O\n0.941313 0.250565 0.443492 O\n0.228533 0.870959 0.753343 O\n0.293650 0.177327 0.247129 O\n0.531315 0.731701 0.546766 O\n0.526727 0.332378 0.949067 O\n0.051768 0.628220 0.558048 O\n0.058687 0.250565 0.943492 O\n0.771467 0.870959 0.253343 O\n",
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"density": 5.23163178519203,
"density_atomic": 0.08774229442190377,
"volume": 227.94024400400508,
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"formula_full": "La2 Mg2 Ti2 Cr2 O12",
"formula_reduced": "LaMgTiCrO6",
"formula_anonymous": "ABCDE6",
"energy": -171.64785478,
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"updated_at": "2021-11-28T01:35:07.096000Z",
"spacegroup": 7
},
{
"id": "mp-1516942",
"created_at": "2022-09-04T14:41:19.738370Z",
"structure_string": "Na1 Ce1 Mn1 W1 O6\n1.0\n0.000000 -4.032536 -4.032536\n4.032536 -0.000000 -4.032536\n4.032536 -4.032536 0.000000\nNa Ce Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739979 0.260021 0.260021 O\n0.260021 0.739979 0.739979 O\n0.739979 0.260021 0.739979 O\n0.260021 0.739979 0.260021 O\n0.739979 0.739979 0.260021 O\n0.260021 0.260021 0.739979 O\n",
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],
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"density": 6.303898472657437,
"density_atomic": 0.07624919180030222,
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"formula_full": "Na1 Ce1 Mn1 W1 O6",
"formula_reduced": "NaCeMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.79381996999999,
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"updated_at": "2021-11-28T01:35:14.865000Z",
"spacegroup": 216
},
{
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"created_at": "2022-09-04T14:41:18.999717Z",
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