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{
"id": "mp-1111833",
"created_at": "2022-09-04T14:39:15.790716Z",
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{
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{
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"structure_string": "La1 Sb1\n1.0\n0.000000 3.279540 3.279540\n3.279540 0.000000 3.279540\n3.279540 3.279540 0.000000\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n",
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"updated_at": "2021-11-28T01:38:27.695000Z",
"spacegroup": 225
},
{
"id": "mp-1219046",
"created_at": "2022-09-04T14:40:53.666073Z",
"structure_string": "Sn4 Sb2 S4 I6\n1.0\n2.163719 -7.469086 0.000000\n2.163719 7.469086 0.000000\n0.000000 0.000000 17.461303\nSn Sb S I\n4 2 4 6\ndirect\n0.870720 0.129280 0.493796 Sn\n0.140246 0.859754 0.524104 Sn\n0.859754 0.140246 0.024104 Sn\n0.129280 0.870720 0.993796 Sn\n0.209569 0.790431 0.290295 Sb\n0.790431 0.209569 0.790295 Sb\n0.272548 0.727452 0.419223 S\n0.729271 0.270729 0.578826 S\n0.270729 0.729271 0.078826 S\n0.727452 0.272548 0.919223 S\n0.845470 0.154530 0.249337 I\n0.154530 0.845470 0.749337 I\n0.573582 0.426418 0.349858 I\n0.442973 0.557027 0.610470 I\n0.557027 0.442973 0.110470 I\n0.426418 0.573582 0.849858 I\n",
"nsites": 16,
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"volume": 564.3843504904992,
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"formula_full": "Sn4 Sb2 S4 I6",
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"formula_anonymous": "AB2C2D3",
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"spacegroup": 36
},
{
"id": "mp-1185170",
"created_at": "2022-09-04T14:47:14.247711Z",
"structure_string": "La3 Lu1\n1.0\n-2.597593 2.597593 5.227869\n2.597593 -2.597593 5.227869\n2.597593 2.597593 -5.227869\nLa Lu\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Lu\n",
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{
"id": "mp-1112017",
"created_at": "2022-09-04T14:42:10.619400Z",
"structure_string": "K2 In1 Sb1 Cl6\n1.0\n0.000000 5.608170 5.608170\n5.608170 0.000000 5.608170\n5.608170 5.608170 0.000000\nK In Sb 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 In\n0.000000 0.000000 0.000000 Sb\n0.762270 0.237730 0.237730 Cl\n0.237730 0.237730 0.762270 Cl\n0.237730 0.762270 0.762270 Cl\n0.237730 0.762270 0.237730 Cl\n0.762270 0.237730 0.762270 Cl\n0.762270 0.762270 0.237730 Cl\n",
"nsites": 10,
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"volume": 352.77151105371706,
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"formula_full": "K2 In1 Sb1 Cl6",
"formula_reduced": "K2InSbCl6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-23048",
"created_at": "2022-09-04T14:46:42.112302Z",
"structure_string": "Cs2 Mn2 Br6\n1.0\n3.929389 -6.805902 0.000000\n3.929389 6.805902 0.000000\n0.000000 0.000000 6.596405\nCs Mn Br\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Cs\n0.333333 0.666667 0.750000 Cs\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.157286 0.842714 0.250000 Br\n0.842714 0.685427 0.750000 Br\n0.157286 0.314573 0.250000 Br\n0.842714 0.157286 0.750000 Br\n0.314573 0.157286 0.750000 Br\n0.685427 0.842714 0.250000 Br\n",
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"formula_full": "Cs2 Mn2 Br6",
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{
"id": "mp-1101917",
"created_at": "2022-09-04T14:40:35.125583Z",
"structure_string": "Sn1 Bi4 Te7\n1.0\n2.230275 -3.862949 0.000000\n2.230275 3.862949 0.000000\n0.000000 0.000000 24.572134\nSn Bi Te\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.161521 Bi\n0.333333 0.666667 0.838479 Bi\n0.666667 0.333333 0.417957 Bi\n0.333333 0.666667 0.582043 Bi\n0.000000 0.000000 0.500000 Te\n0.666667 0.333333 0.923284 Te\n0.333333 0.666667 0.076716 Te\n0.000000 0.000000 0.768817 Te\n0.000000 0.000000 0.231183 Te\n0.666667 0.333333 0.651922 Te\n0.333333 0.666667 0.348078 Te\n",
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{
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{
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{
"id": "mp-1209111",
"created_at": "2022-09-04T14:47:13.582448Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n7.827550 0.000000 0.000000\n0.000000 7.827550 0.000000\n0.000000 0.000000 5.759052\nRb Sr Cl\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.673749 0.173749 0.500000 Cl\n0.326251 0.826251 0.500000 Cl\n0.173749 0.326251 0.500000 Cl\n0.826251 0.673749 0.500000 Cl\n",
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{
"id": "mp-1114041",
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"structure_string": "K1 Rb2 Er1 Cl6\n1.0\n0.000000 5.608681 5.608681\n5.608681 0.000000 5.608681\n5.608681 5.608681 0.000000\nK Rb Er Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.767242 0.232758 0.232758 Cl\n0.232758 0.232758 0.767242 Cl\n0.232758 0.767242 0.767242 Cl\n0.232758 0.767242 0.232758 Cl\n0.767242 0.232758 0.767242 Cl\n0.767242 0.767242 0.232758 Cl\n",
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]
}