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},
{
"id": "mp-1226719",
"created_at": "2022-09-04T14:40:22.621717Z",
"structure_string": "Cs8 Sn16 Se36 O4\n1.0\n12.813235 0.000000 0.000000\n0.000000 12.825481 0.000000\n0.000000 0.000000 14.110457\nCs Sn Se O\n8 16 36 4\ndirect\n0.249606 0.434399 0.433703 Cs\n0.249606 0.065601 0.933703 Cs\n0.749606 0.565601 0.566297 Cs\n0.749606 0.934399 0.066297 Cs\n0.824660 0.460207 0.939805 Cs\n0.324660 0.539793 0.060195 Cs\n0.324660 0.960207 0.560195 Cs\n0.824660 0.039793 0.439805 Cs\n0.105118 0.177544 0.235525 Sn\n0.396288 0.321338 0.735420 Sn\n0.605118 0.822456 0.764475 Sn\n0.896288 0.678662 0.264580 Sn\n0.896288 0.821338 0.764580 Sn\n0.605118 0.677544 0.264475 Sn\n0.396288 0.178662 0.235420 Sn\n0.105118 0.322456 0.735525 Sn\n0.911676 0.369394 0.323743 Sn\n0.587212 0.133080 0.823750 Sn\n0.411676 0.630606 0.676257 Sn\n0.087212 0.866920 0.176250 Sn\n0.087212 0.633080 0.676250 Sn\n0.411676 0.869394 0.176257 Sn\n0.587212 0.366920 0.323750 Sn\n0.911676 0.130606 0.823743 Sn\n0.947566 0.313054 0.154997 Se\n0.550231 0.183604 0.654053 Se\n0.447566 0.686946 0.845003 Se\n0.050231 0.816396 0.345947 Se\n0.050231 0.683604 0.845947 Se\n0.447566 0.813054 0.345003 Se\n0.550231 0.316396 0.154053 Se\n0.947566 0.186946 0.654997 Se\n0.009344 0.045194 0.125304 Se\n0.490203 0.454118 0.624177 Se\n0.509344 0.954806 0.874696 Se\n0.990203 0.545882 0.375823 Se\n0.990203 0.954118 0.875823 Se\n0.509344 0.545194 0.374696 Se\n0.490203 0.045882 0.124177 Se\n0.009344 0.454806 0.625304 Se\n0.249435 0.288669 0.154601 Se\n0.249435 0.211331 0.654601 Se\n0.749435 0.711331 0.845399 Se\n0.749435 0.788669 0.345399 Se\n0.040441 0.235147 0.403079 Se\n0.459506 0.266160 0.903714 Se\n0.540441 0.764853 0.596921 Se\n0.959506 0.733840 0.096286 Se\n0.959506 0.766160 0.596286 Se\n0.540441 0.735147 0.096921 Se\n0.459506 0.233840 0.403714 Se\n0.040441 0.264853 0.903079 Se\n0.749812 0.322339 0.423831 Se\n0.749812 0.177661 0.923831 Se\n0.249812 0.677661 0.576169 Se\n0.249812 0.822339 0.076169 Se\n0.250489 0.043984 0.303454 Se\n0.250489 0.456016 0.803454 Se\n0.750489 0.956016 0.696546 Se\n0.750489 0.543984 0.196546 Se\n0.255211 0.616456 0.279655 O\n0.255211 0.883544 0.779655 O\n0.755211 0.383544 0.720345 O\n0.755211 0.116456 0.220345 O\n",
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"elements": [
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],
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"volume_molar": 21.819483251198154,
"formula_full": "Cs8 Sn16 Se36 O4",
"formula_reduced": "Cs2Sn4Se9O",
"formula_anonymous": "AB2C4D9",
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"energy_uncorrected": -241.34645082,
"band_gap": 0.1194,
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"is_magnetic": true,
"total_magnetization": 0.0422265,
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"updated_at": "2021-11-28T01:34:53.600000Z",
"spacegroup": 33
},
{
"id": "mp-4236",
"created_at": "2022-09-04T14:40:22.623227Z",
"structure_string": "Ba3 Zn3 O6\n1.0\n2.986150 -5.172164 0.000000\n2.986150 5.172164 0.000000\n0.000000 0.000000 6.826996\nBa Zn O\n3 3 6\ndirect\n0.653959 0.000000 0.833333 Ba\n0.000000 0.653959 0.166667 Ba\n0.346041 0.346041 0.500000 Ba\n0.415945 0.415945 0.000000 Zn\n0.000000 0.584055 0.666667 Zn\n0.584055 0.000000 0.333333 Zn\n0.123916 0.421197 0.876173 O\n0.578803 0.702719 0.209506 O\n0.297281 0.876084 0.542840 O\n0.702719 0.578803 0.790494 O\n0.421197 0.123916 0.123827 O\n0.876084 0.297281 0.457160 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Ba-O-Zn",
"density": 5.545034865472373,
"density_atomic": 0.05690333174377586,
"volume": 210.8839611366442,
"volume_molar": 10.583107483260338,
"formula_full": "Ba3 Zn3 O6",
"formula_reduced": "BaZnO2",
"formula_anonymous": "ABC2",
"energy": -67.60898398,
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"energy_uncorrected": -63.48698397999999,
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"updated_at": "2021-11-28T01:34:47.203000Z",
"spacegroup": 152
}
]
}