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{
"id": "mp-1018811",
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{
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"spacegroup": 225
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{
"id": "mp-1094345",
"created_at": "2022-09-04T14:39:11.641268Z",
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"formula_full": "Mg3 Ti3",
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"energy": -27.41135151,
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"spacegroup": 38
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{
"id": "mp-27035",
"created_at": "2022-09-04T14:39:29.053487Z",
"structure_string": "Li1 Cr1 P2 O7\n1.0\n4.070656 3.270597 0.000000\n-4.070656 3.270597 0.000000\n0.000000 1.051988 4.379268\nLi Cr P O\n1 1 2 7\ndirect\n0.749385 0.250615 0.000000 Li\n0.121366 0.878634 0.000000 Cr\n0.668482 0.747220 0.590379 P\n0.252780 0.331518 0.409621 P\n0.461665 0.873433 0.742967 O\n0.816288 0.928949 0.284695 O\n0.849510 0.653472 0.803347 O\n0.531229 0.468771 0.500000 O\n0.071051 0.183712 0.715305 O\n0.126567 0.538335 0.257033 O\n0.346528 0.150490 0.196653 O\n",
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"volume": 116.60655271445471,
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"formula_full": "Li1 Cr1 P2 O7",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 5
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{
"id": "mp-1221689",
"created_at": "2022-09-04T14:44:05.227835Z",
"structure_string": "Mn1 Co1 Sn4\n1.0\n-3.279606 3.279606 2.710333\n3.279606 -3.279606 2.710333\n3.279606 3.279606 -2.710333\nMn Co Sn\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.913993 0.413993 0.827985 Sn\n0.586007 0.086007 0.172015 Sn\n0.086007 0.913993 0.500000 Sn\n0.413993 0.586007 0.500000 Sn\n",
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"density": 8.383501306066117,
"density_atomic": 0.05145472501345933,
"volume": 116.60736693142452,
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"formula_full": "Mn1 Co1 Sn4",
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"formula_anonymous": "ABC4",
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{
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"structure_string": "Sm3 Hg1\n1.0\n-2.402948 2.402948 5.048807\n2.402948 -2.402948 5.048807\n2.402948 2.402948 -5.048807\nSm Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Hg\n",
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"density": 9.27981503210887,
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"volume": 116.61045934503996,
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"formula_full": "Sm3 Hg1",
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"updated_at": "2021-11-28T01:37:47.019000Z",
"spacegroup": 139
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{
"id": "mp-1018897",
"created_at": "2022-09-04T14:42:00.234499Z",
"structure_string": "Pr2 Co2 P2\n1.0\n3.894728 0.000000 0.000000\n0.000000 3.894728 0.000000\n0.000000 0.000000 7.687600\nPr Co P\n2 2 2\ndirect\n0.000000 0.500000 0.301224 Pr\n0.500000 0.000000 0.698776 Pr\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.844338 P\n0.500000 0.000000 0.155662 P\n",
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"volume": 116.61248325687141,
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"formula_full": "Pr2 Co2 P2",
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"formula_anonymous": "ABC",
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"spacegroup": 129
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{
"id": "mp-1079825",
"created_at": "2022-09-04T14:44:06.147073Z",
"structure_string": "Ca1 Ti2 O6\n1.0\n2.598349 -4.500472 0.000000\n2.598349 4.500472 0.000000\n0.000000 0.000000 4.986358\nCa Ti O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.500000 Ti\n0.666667 0.333333 0.500000 Ti\n0.362534 0.362534 0.711265 O\n0.637466 0.000000 0.711265 O\n0.000000 0.637466 0.711265 O\n0.637466 0.637466 0.288735 O\n0.000000 0.362534 0.288735 O\n0.362534 0.000000 0.288735 O\n",
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"density": 3.300724432341477,
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"volume": 116.61891565209486,
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"formula_full": "Ca1 Ti2 O6",
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{
"id": "mp-1025294",
"created_at": "2022-09-04T14:46:18.888424Z",
"structure_string": "Cd1 As1 Pd5\n1.0\n4.033346 0.000000 0.000000\n0.000000 4.033346 0.000000\n0.000000 0.000000 7.168837\nCd As Pd\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.709537 Pd\n0.000000 0.500000 0.709537 Pd\n0.500000 0.000000 0.290463 Pd\n0.000000 0.500000 0.290463 Pd\n",
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{
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{
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"structure_string": "Li3 Ni2 Sb1 O6\n1.0\n0.021221 0.000000 -5.231392\n-2.467245 -4.524627 0.895556\n-2.467245 4.524627 0.895556\nLi Ni Sb O\n3 2 1 6\ndirect\n0.500000 0.828656 0.171344 Li\n0.500000 0.171344 0.828656 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.666572 0.333428 Ni\n0.000000 0.333428 0.666572 Ni\n0.000000 0.000000 0.000000 Sb\n0.229010 0.759036 0.759036 O\n0.770990 0.240964 0.240964 O\n0.232787 0.078968 0.398696 O\n0.232787 0.398696 0.078968 O\n0.767213 0.921032 0.601304 O\n0.767213 0.601304 0.921032 O\n",
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"formula_full": "Li3 Ni2 Sb1 O6",
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{
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]
}