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{
"id": "mp-19079",
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"structure_string": "Co2 O2\n1.0\n-1.751293 2.465328 -0.013723\n2.620097 0.003635 -1.485324\n-3.555239 -2.486024 -3.072763\nCo O\n2 2\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.247062 0.498565 0.749660 O\n0.752938 0.501435 0.250340 O\n",
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{
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{
"id": "mp-862743",
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"updated_at": "2021-11-28T01:35:59.851000Z",
"spacegroup": 225
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{
"id": "mp-1520564",
"created_at": "2022-09-04T14:42:45.417351Z",
"structure_string": "Ba2 Ca1 Se1 O6\n1.0\n0.000000 -4.156224 -4.156224\n4.156224 0.000000 -4.156224\n4.156224 -4.156224 0.000000\nBa Ca Se O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n0.722248 0.277752 0.277752 O\n0.277752 0.722248 0.722248 O\n0.722248 0.277752 0.722248 O\n0.277752 0.722248 0.277752 O\n0.722248 0.722248 0.277752 O\n0.277752 0.277752 0.722248 O\n",
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"formula_full": "Ba2 Ca1 Se1 O6",
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{
"id": "mp-1522988",
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"structure_string": "Na2 Bi1 W1 O6\n1.0\n0.000000 -4.151712 -4.151712\n4.151712 0.000000 -4.151712\n4.151712 -4.151712 0.000000\nNa Bi W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 W\n0.733675 0.266325 0.266325 O\n0.266325 0.733675 0.733675 O\n0.733675 0.266325 0.733675 O\n0.266325 0.733675 0.266325 O\n0.733675 0.733675 0.266325 O\n0.266325 0.266325 0.733675 O\n",
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"volume": 143.12373251054112,
"volume_molar": 8.619112632750667,
"formula_full": "Na2 Bi1 W1 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1111127",
"created_at": "2022-09-04T14:42:45.475304Z",
"structure_string": "K2 Na1 Ga1 Cl6\n1.0\n0.000000 5.131181 5.131181\n5.131181 0.000000 5.131181\n5.131181 5.131181 0.000000\nK Na Ga Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.767004 0.232996 0.232996 Cl\n0.232996 0.232996 0.767004 Cl\n0.232996 0.767004 0.767004 Cl\n0.232996 0.767004 0.232996 Cl\n0.767004 0.232996 0.767004 Cl\n0.767004 0.767004 0.232996 Cl\n",
"nsites": 10,
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"Ga",
"Cl"
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"density": 2.3576356075298244,
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"volume": 270.19791848743796,
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"formula_full": "K2 Na1 Ga1 Cl6",
"formula_reduced": "K2NaGaCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.99680026,
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"updated_at": "2021-11-28T01:35:55.341000Z",
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{
"id": "mp-1186004",
"created_at": "2022-09-04T14:42:47.061229Z",
"structure_string": "Mn1 Ga1 Pd2\n1.0\n0.000000 3.103153 3.103153\n3.103153 0.000000 3.103153\n3.103153 3.103153 0.000000\nMn Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"density": 9.377447837985137,
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"volume": 59.763986952897916,
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"formula_full": "Mn1 Ga1 Pd2",
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{
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"created_at": "2022-09-04T14:42:47.682759Z",
"structure_string": "Nb2 Cr1 Os1\n1.0\n0.000000 3.154219 3.154219\n3.154219 0.000000 3.154219\n3.154219 3.154219 0.000000\nNb Cr Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750000 Nb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:36:09.583000Z",
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{
"id": "mp-1205934",
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"structure_string": "Ba2 Yb1 Mo1 O6\n1.0\n0.000000 4.231627 4.231627\n4.231627 0.000000 4.231627\n4.231627 4.231627 0.000000\nBa Yb Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mo\n0.769117 0.230883 0.230883 O\n0.230883 0.769117 0.769117 O\n0.230883 0.769117 0.230883 O\n0.769117 0.230883 0.769117 O\n0.230883 0.230883 0.769117 O\n0.769117 0.769117 0.230883 O\n",
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"volume": 151.54867168254773,
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"formula_full": "Ba2 Yb1 Mo1 O6",
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{
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"structure_string": "Sr2 As1 Au1\n1.0\n0.000000 3.836787 3.836787\n3.836787 0.000000 3.836787\n3.836787 3.836787 0.000000\nSr As Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Pr1 Nd1 Hg2\n1.0\n0.000000 3.859240 3.859240\n3.859240 0.000000 3.859240\n3.859240 3.859240 0.000000\nPr Nd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"structure_string": "Nb1 Ga1 Ru2\n1.0\n0.000000 3.108556 3.108556\n3.108556 0.000000 3.108556\n3.108556 3.108556 0.000000\nNb Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
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"formula_full": "Nb1 Ga1 Ru2",
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"energy": -33.64350425,
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]
}