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{
"id": "mp-27762",
"created_at": "2022-09-04T14:43:03.440253Z",
"structure_string": "U2 Br2 N2\n1.0\n3.840053 0.000000 0.000000\n0.000000 3.840053 0.000000\n0.000000 0.000000 8.705434\nU Br N\n2 2 2\ndirect\n0.500000 0.000000 0.133855 U\n0.000000 0.500000 0.866145 U\n0.500000 0.000000 0.662537 Br\n0.000000 0.500000 0.337463 Br\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
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{
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{
"id": "mp-1245449",
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"formula_full": "Mn4 Sb2 N2",
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{
"id": "mp-6949",
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"structure_string": "In2 F6\n1.0\n5.140130 -2.753341 0.000000\n5.140130 2.753341 0.000000\n3.665287 0.000000 4.535140\nIn F\n2 6\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.750000 0.367536 0.132464 F\n0.132464 0.750000 0.367536 F\n0.632464 0.867536 0.250000 F\n0.867536 0.250000 0.632464 F\n0.250000 0.632464 0.867536 F\n0.367536 0.132464 0.750000 F\n",
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"formula_full": "In2 F6",
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{
"id": "mp-997086",
"created_at": "2022-09-04T14:39:58.065861Z",
"structure_string": "Sr2 Ag2 O4\n1.0\n4.823504 3.648736 0.000000\n-4.823504 3.648736 0.000000\n0.000000 0.051814 3.646822\nSr Ag O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.280964 0.719036 0.500000 O\n0.719036 0.280964 0.500000 O\n0.249333 0.249333 0.790567 O\n0.750667 0.750667 0.209433 O\n",
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"density": 5.885536131502287,
"density_atomic": 0.062321850557124005,
"volume": 128.36589299714754,
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"formula_full": "Sr2 Ag2 O4",
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{
"id": "mp-7936",
"created_at": "2022-09-04T14:43:19.880468Z",
"structure_string": "Li2 Nb2 S4\n1.0\n1.691734 -2.930169 0.000000\n1.691734 2.930169 0.000000\n0.000000 0.000000 12.947695\nLi Nb S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.127920 S\n0.333333 0.666667 0.372080 S\n0.666667 0.333333 0.627920 S\n0.666667 0.333333 0.872080 S\n",
"nsites": 8,
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"density": 4.242441211783299,
"density_atomic": 0.06232220115289814,
"volume": 128.36517087022014,
"volume_molar": 9.662914095773969,
"formula_full": "Li2 Nb2 S4",
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"updated_at": "2021-11-28T01:36:10.408000Z",
"spacegroup": 194
},
{
"id": "mp-1094101",
"created_at": "2022-09-04T14:48:07.892593Z",
"structure_string": "Nd3 Pb1 N1\n1.0\n5.044390 0.000000 0.000000\n0.000000 5.044390 0.000000\n0.000000 0.000000 5.044390\nNd Pb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 N\n",
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"density": 8.459723800814066,
"density_atomic": 0.038953280312202035,
"volume": 128.3588945507565,
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"formula_full": "Nd3 Pb1 N1",
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"spacegroup": 221
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{
"id": "mp-1078580",
"created_at": "2022-09-04T14:45:58.703883Z",
"structure_string": "Sr2 Ti1 Mo1 O6\n1.0\n-2.837068 2.837068 3.986811\n2.837068 -2.837068 3.986811\n2.837068 2.837068 -3.986811\nSr Ti Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Mo\n0.764323 0.720766 0.485089 O\n0.235677 0.279234 0.514911 O\n0.279234 0.764323 0.043557 O\n0.720766 0.235677 0.956443 O\n0.252588 0.252588 0.000000 O\n0.747412 0.747412 0.000000 O\n",
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"volume": 128.35864672462304,
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:47:18.971314Z",
"structure_string": "Te1 H6 O6\n1.0\n0.000000 3.893369 4.453338\n3.701474 0.000000 4.453338\n3.701474 3.893369 0.000000\nTe H O\n1 6 6\ndirect\n0.024106 0.975894 0.975894 Te\n0.141343 0.372230 0.858657 H\n0.212789 0.787211 0.420194 H\n0.548506 0.451494 0.232977 H\n0.767023 0.232977 0.451494 H\n0.627770 0.858657 0.372230 H\n0.579806 0.420194 0.787211 H\n0.273096 0.726904 0.726904 O\n0.226265 0.208440 0.773735 O\n0.265976 0.734024 0.238251 O\n0.738167 0.261833 0.261833 O\n0.791560 0.773735 0.208440 O\n0.761749 0.238251 0.734024 O\n",
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{
"id": "mp-1247557",
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"structure_string": "Mg4 Nb2 N6\n1.0\n5.397805 0.000239 0.000428\n-2.692982 4.678049 0.000428\n-0.908883 -1.572013 5.082664\nMg Nb N\n4 2 6\ndirect\n0.836882 0.163118 0.500000 Mg\n0.163118 0.836882 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.331857 0.668143 0.000000 Nb\n0.668143 0.331857 0.000000 Nb\n0.424752 0.078381 0.234888 N\n0.921619 0.575248 0.765112 N\n0.575248 0.921619 0.765112 N\n0.078381 0.424752 0.234888 N\n0.733795 0.733795 0.240022 N\n0.266205 0.266205 0.759978 N\n",
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{
"id": "mp-1064427",
"created_at": "2022-09-04T14:39:38.358165Z",
"structure_string": "Gd2 Br2\n1.0\n1.913270 -3.313880 0.000000\n1.913270 3.313880 0.000000\n0.000000 0.000000 10.121573\nGd Br\n2 2\ndirect\n0.666667 0.333333 0.858243 Gd\n0.333333 0.666667 0.141757 Gd\n0.666667 0.333333 0.335926 Br\n0.333333 0.666667 0.664074 Br\n",
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{
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"created_at": "2022-09-04T14:47:21.559857Z",
"structure_string": "Sm3 I1\n1.0\n-2.432221 2.432221 5.423760\n2.432221 -2.432221 5.423760\n2.432221 2.432221 -5.423760\nSm I\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 I\n",
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]
}