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{
"id": "mp-1097210",
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"structure_string": "La1 Cd2 In1\n1.0\n-6.597478 7.534685 10.225967\n6.597478 -7.534685 10.225967\n6.597478 7.534685 -10.225967\nLa Cd In\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.242663 0.242663 Cd\n0.000000 0.757337 0.757337 Cd\n0.000000 0.000000 0.000000 In\n",
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{
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{
"id": "mp-1093728",
"created_at": "2022-09-04T14:41:27.844733Z",
"structure_string": "Ba2 Li1 In1\n1.0\n-6.562014 7.117695 9.055668\n6.562014 -7.117695 9.055668\n6.562014 7.117695 -9.055668\nBa Li In\n2 1 1\ndirect\n0.735056 0.000000 0.735056 Ba\n0.264944 0.000000 0.264944 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"chemical_system": "Ba-In-Li",
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"volume": 1691.8311232294238,
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"formula_full": "Ba2 Li1 In1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:19.123000Z",
"spacegroup": 71
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{
"id": "mp-1093929",
"created_at": "2022-09-04T14:45:35.144432Z",
"structure_string": "Ba2 Na1 Tl1\n1.0\n-7.193230 7.265794 10.268023\n7.193230 -7.265794 10.268023\n7.193230 7.265794 -10.268023\nBa Na Tl\n2 1 1\ndirect\n0.000000 0.268684 0.268684 Ba\n0.000000 0.731316 0.731316 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n",
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"chemical_system": "Ba-Na-Tl",
"density": 0.3883491695601142,
"density_atomic": 0.0018634002085046435,
"volume": 2146.613476666911,
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"formula_full": "Ba2 Na1 Tl1",
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"updated_at": "2021-11-28T01:37:11.008000Z",
"spacegroup": 71
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{
"id": "mp-1096623",
"created_at": "2022-09-04T14:43:09.630418Z",
"structure_string": "Ba1 Ca1 In2\n1.0\n-6.551808 6.671395 9.956290\n6.551808 -6.671395 9.956290\n6.551808 6.671395 -9.956290\nBa Ca In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243411 0.243411 In\n0.000000 0.756589 0.756589 In\n",
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"formula_full": "Ba1 Ca1 In2",
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"updated_at": "2021-11-28T01:36:03.747000Z",
"spacegroup": 71
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{
"id": "mp-1207310",
"created_at": "2022-09-04T14:39:46.763421Z",
"structure_string": "Sm2 Cd1 Sb3\n1.0\n9.061116 0.000000 0.000000\n0.000000 9.061116 0.000000\n0.000000 0.000000 40.589589\nSm Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243021 Sm\n0.500000 0.500000 0.756979 Sm\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.691055 Sb\n0.500000 0.500000 0.308945 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"density": 0.38786449625394,
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"volume": 3332.560437614538,
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"formula_full": "Sm2 Cd1 Sb3",
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"formula_anonymous": "AB2C3",
"energy": -11.42128852,
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"updated_at": "2021-11-28T01:34:33.709000Z",
"spacegroup": 123
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{
"id": "mp-1095841",
"created_at": "2022-09-04T14:43:07.154275Z",
"structure_string": "Sr2 Mg1 Hg1\n1.0\n-6.381329 7.448308 9.015115\n6.381329 -7.448308 9.015115\n6.381329 7.448308 -9.015115\nSr Mg Hg\n2 1 1\ndirect\n0.743375 0.000000 0.743375 Sr\n0.256625 0.000000 0.256625 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"density": 0.3876641252406366,
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"volume": 1713.9574083661987,
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"formula_full": "Sr2 Mg1 Hg1",
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"updated_at": "2021-11-28T01:35:55.160000Z",
"spacegroup": 71
},
{
"id": "mp-1096590",
"created_at": "2022-09-04T14:39:32.832138Z",
"structure_string": "K2 Cd1 Au1\n1.0\n-6.570318 6.816685 9.279438\n6.570318 -6.816685 9.279438\n6.570318 6.816685 -9.279438\nK Cd Au\n2 1 1\ndirect\n0.726526 0.000000 0.726526 K\n0.273474 0.000000 0.273474 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"volume": 1662.4220133966355,
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"formula_full": "K2 Cd1 Au1",
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{
"id": "mp-1080576",
"created_at": "2022-09-04T14:44:08.880935Z",
"structure_string": "Li4 B4\n1.0\n0.000000 0.000000 7.303974\n3.084395 0.000000 0.000000\n0.000000 13.543082 0.000000\nLi B\n4 4\ndirect\n0.288752 0.750000 0.000000 Li\n0.711248 0.250000 0.000000 Li\n0.781532 0.750000 0.500000 Li\n0.218468 0.250000 0.500000 Li\n0.000000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n0.485370 0.750000 0.500000 B\n0.514630 0.250000 0.500000 B\n",
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"formula_full": "Li4 B4",
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{
"id": "mp-1207284",
"created_at": "2022-09-04T14:42:17.110083Z",
"structure_string": "Ag1 Bi3 Se6\n1.0\n5.316329 -9.260690 0.000000\n5.316329 9.260690 0.000000\n0.000000 0.000000 52.796675\nAg Bi Se\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.000000 0.231032 Se\n0.000000 0.000000 0.768968 Se\n0.242991 0.993097 0.000000 Se\n0.757009 0.006903 0.000000 Se\n0.993097 0.242991 0.000000 Se\n0.006903 0.757009 0.000000 Se\n",
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"formula_full": "Ag1 Bi3 Se6",
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{
"id": "mp-1096521",
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"structure_string": "Al2 Fe1 Cu1\n1.0\n-5.021100 5.127251 7.246727\n5.021100 -5.127251 7.246727\n5.021100 5.127251 -7.246727\nAl Fe Cu\n2 1 1\ndirect\n0.000000 0.249962 0.249962 Al\n0.000000 0.750038 0.750038 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Cu\n",
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"volume": 746.2517136784711,
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"formula_full": "Al2 Fe1 Cu1",
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{
"id": "mp-1093741",
"created_at": "2022-09-04T14:46:56.023759Z",
"structure_string": "Na1 Li2 Au1\n1.0\n-5.585741 5.653515 7.988559\n5.585741 -5.653515 7.988559\n5.585741 5.653515 -7.988559\nNa Li Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.277965 0.277965 Li\n0.000000 0.722035 0.722035 Li\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Na1 Li2 Au1",
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"updated_at": "2021-11-28T01:37:46.143000Z",
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}
]
}