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{
"id": "mp-1096320",
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"structure_string": "Y2 Mg1 Ir1\n1.0\n-5.765222 6.212548 8.647013\n5.765222 -6.212548 8.647013\n5.765222 6.212548 -8.647013\nY Mg Ir\n2 1 1\ndirect\n0.000000 0.288947 0.288947 Y\n0.000000 0.711053 0.711053 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n",
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{
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{
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"formula_full": "Ta2",
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"updated_at": "2021-11-28T01:39:57.531000Z",
"spacegroup": 65
},
{
"id": "mp-1093555",
"created_at": "2022-09-04T14:47:01.653866Z",
"structure_string": "Na1 Sc1 Tl2\n1.0\n-6.039010 6.603276 9.372910\n6.039010 -6.603276 9.372910\n6.039010 6.603276 -9.372910\nNa Sc Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.254956 0.254956 Tl\n0.000000 0.745044 0.745044 Tl\n",
"nsites": 4,
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"density_atomic": 0.002675471655352933,
"volume": 1495.0634935701992,
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"formula_full": "Na1 Sc1 Tl2",
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"updated_at": "2021-11-28T01:37:47.215000Z",
"spacegroup": 71
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{
"id": "mp-1096237",
"created_at": "2022-09-04T14:48:11.317116Z",
"structure_string": "Li1 In2 Cu1\n1.0\n-5.313415 5.605246 7.900803\n5.313415 -5.605246 7.900803\n5.313415 5.605246 -7.900803\nLi In Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.262011 0.262011 In\n0.000000 0.737989 0.737989 In\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"density": 0.5294789964654909,
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"volume": 941.2384053229824,
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"formula_full": "Li1 In2 Cu1",
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"updated_at": "2021-11-28T01:38:33.200000Z",
"spacegroup": 71
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{
"id": "mp-1093585",
"created_at": "2022-09-04T14:39:20.021609Z",
"structure_string": "Li1 Cu2 Ni1\n1.0\n-4.690090 4.808131 6.697527\n4.690090 -4.808131 6.697527\n4.690090 4.808131 -6.697527\nLi Cu Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.739353 0.000000 0.739353 Cu\n0.260647 0.000000 0.260647 Cu\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 4,
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"density": 0.5297346411259392,
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"volume": 604.1321286540033,
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"formula_full": "Li1 Cu2 Ni1",
"formula_reduced": "LiCu2Ni",
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"updated_at": "2021-11-28T01:34:41.129000Z",
"spacegroup": 71
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{
"id": "mp-1097397",
"created_at": "2022-09-04T14:48:18.956392Z",
"structure_string": "Ba2 Cu1 Pd1\n1.0\n-6.023690 6.387618 9.052729\n6.023690 -6.387618 9.052729\n6.023690 6.387618 -9.052729\nBa Cu Pd\n2 1 1\ndirect\n0.000000 0.262964 0.262964 Ba\n0.000000 0.737036 0.737036 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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],
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"volume": 1393.2885255360022,
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"formula_full": "Ba2 Cu1 Pd1",
"formula_reduced": "Ba2CuPd",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:29.186000Z",
"spacegroup": 71
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{
"id": "mp-1208426",
"created_at": "2022-09-04T14:47:15.480779Z",
"structure_string": "Tm2 Ga12\n1.0\n14.418349 0.000000 0.000000\n0.000000 14.418349 0.000000\n0.000000 0.000000 17.702735\nTm Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.872872 0.000000 0.351074 Ga\n0.127128 0.000000 0.351074 Ga\n0.000000 0.872872 0.351074 Ga\n0.000000 0.127128 0.648926 Ga\n0.127128 0.000000 0.648926 Ga\n0.000000 0.127128 0.351074 Ga\n0.000000 0.872872 0.648926 Ga\n0.872872 0.000000 0.648926 Ga\n0.000000 0.500000 0.158387 Ga\n0.500000 0.000000 0.158387 Ga\n0.500000 0.000000 0.841613 Ga\n0.000000 0.500000 0.841613 Ga\n",
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"volume": 3680.2001214135453,
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"formula_full": "Tm2 Ga12",
"formula_reduced": "TmGa6",
"formula_anonymous": "AB6",
"energy": -22.84157621,
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{
"id": "mp-1097228",
"created_at": "2022-09-04T14:41:46.352240Z",
"structure_string": "Li1 Al2 Au1\n1.0\n-5.212003 5.268369 7.352838\n5.212003 -5.268369 7.352838\n5.212003 5.268369 -7.352838\nLi Al Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735807 0.000000 0.735807 Al\n0.264193 0.000000 0.264193 Al\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"volume": 807.5991097604817,
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"formula_full": "Li1 Al2 Au1",
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{
"id": "mp-1093914",
"created_at": "2022-09-04T14:42:57.364371Z",
"structure_string": "Mn1 Be2 Ru1\n1.0\n-4.508224 4.637089 6.512334\n4.508224 -4.637089 6.512334\n4.508224 4.637089 -6.512334\nMn Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.266998 0.266998 Be\n0.000000 0.733002 0.733002 Be\n0.000000 0.500000 0.500000 Ru\n",
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"formula_full": "Mn1 Be2 Ru1",
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{
"id": "mp-1097301",
"created_at": "2022-09-04T14:41:09.071789Z",
"structure_string": "Ti2 Fe1 Mo1\n1.0\n-4.445577 5.518866 7.891643\n4.445577 -5.518866 7.891643\n4.445577 5.518866 -7.891643\nTi Fe Mo\n2 1 1\ndirect\n0.000000 0.245528 0.245528 Ti\n0.000000 0.754472 0.754472 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Mo\n",
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"formula_full": "Ti2 Fe1 Mo1",
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{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 1425.322173730532,
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"formula_full": "Na2 Hg1 Bi1",
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"updated_at": "2021-11-28T01:38:41.495000Z",
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}
]
}