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{
"id": "mp-1174391",
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{
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"formula_full": "La2 Mn3 Fe1 Si4",
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"formula_anonymous": "AB2C3D4",
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"updated_at": "2021-11-28T01:37:24.273000Z",
"spacegroup": 115
},
{
"id": "mp-1208157",
"created_at": "2022-09-04T14:46:17.700351Z",
"structure_string": "U10 Sn8\n1.0\n4.677064 -8.100912 0.000000\n4.677064 8.100912 0.000000\n0.000000 0.000000 6.189824\nU Sn\n10 8\ndirect\n0.333333 0.666667 0.000000 U\n0.666667 0.333333 0.000000 U\n0.666667 0.333333 0.500000 U\n0.333333 0.666667 0.500000 U\n0.289164 0.000000 0.250000 U\n0.710836 0.000000 0.750000 U\n0.000000 0.289164 0.250000 U\n0.000000 0.710836 0.750000 U\n0.710836 0.710836 0.250000 U\n0.289164 0.289164 0.750000 U\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.626229 0.000000 0.250000 Sn\n0.373771 0.000000 0.750000 Sn\n0.000000 0.626229 0.250000 Sn\n0.000000 0.373771 0.750000 Sn\n0.373771 0.373771 0.250000 Sn\n0.626229 0.626229 0.750000 Sn\n",
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"formula_full": "U10 Sn8",
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{
"id": "mp-561185",
"created_at": "2022-09-04T14:46:17.700774Z",
"structure_string": "Cs2 Sn2 Hg3 S8\n1.0\n6.966703 0.000000 0.000000\n-2.603700 7.715061 0.000000\n-0.481325 -3.309995 8.927810\nCs Sn Hg S\n2 2 3 8\ndirect\n0.111088 0.457481 0.746173 Cs\n0.888912 0.542519 0.253827 Cs\n0.742891 0.838436 0.740910 Sn\n0.257109 0.161564 0.259090 Sn\n0.332797 0.082110 0.883309 Hg\n0.500000 0.000000 0.500000 Hg\n0.667203 0.917890 0.116691 Hg\n0.926394 0.135971 0.339546 S\n0.337077 0.354161 0.106713 S\n0.498747 0.291908 0.496414 S\n0.720465 0.134320 0.881274 S\n0.501253 0.708092 0.503586 S\n0.279535 0.865680 0.118726 S\n0.073606 0.864029 0.660454 S\n0.662923 0.645839 0.893287 S\n",
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"volume": 479.85674052241075,
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"formula_full": "Cs2 Sn2 Hg3 S8",
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"spacegroup": 2
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{
"id": "mp-1215201",
"created_at": "2022-09-04T14:46:17.885973Z",
"structure_string": "Zr1 Sc1\n1.0\n1.635056 -2.832000 0.000000\n1.635056 2.832000 0.000000\n0.000000 0.000000 5.154199\nZr Sc\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.500000 Sc\n",
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"updated_at": "2021-11-28T01:37:34.049000Z",
"spacegroup": 187
},
{
"id": "mp-1221251",
"created_at": "2022-09-04T14:46:17.705232Z",
"structure_string": "Na4 Ni1 Ag2 S8 N5 O12\n1.0\n-6.958804 6.958804 2.979050\n6.958804 -6.958804 2.979050\n6.958804 6.958804 -2.979050\nNa Ni Ag S N O\n4 1 2 8 5 12\ndirect\n0.326833 0.786009 0.113241 Na\n0.672767 0.213592 0.886759 Na\n0.786009 0.672767 0.459176 Na\n0.213592 0.326833 0.540824 Na\n0.950991 0.950991 0.000000 Ni\n0.250022 0.750022 0.500000 Ag\n0.750022 0.250022 0.500000 Ag\n0.083377 0.619773 0.702843 S\n0.916929 0.380534 0.297157 S\n0.619773 0.916929 0.536395 S\n0.380534 0.083377 0.463605 S\n0.234336 0.591259 0.825577 S\n0.765682 0.408759 0.174423 S\n0.591259 0.765682 0.356923 S\n0.408759 0.234336 0.643077 S\n0.673324 0.673324 0.000000 N\n0.031227 0.867377 0.907823 N\n0.959555 0.123404 0.092177 N\n0.867377 0.959555 0.836150 N\n0.123404 0.031227 0.163850 N\n0.251171 0.488622 0.739228 O\n0.749394 0.511944 0.260772 O\n0.488622 0.749394 0.237450 O\n0.511944 0.251171 0.762550 O\n0.471212 0.846011 0.907928 O\n0.938082 0.563284 0.092072 O\n0.846011 0.938082 0.374799 O\n0.563284 0.471212 0.625201 O\n0.528860 0.154090 0.092145 O\n0.061944 0.436714 0.907855 O\n0.154090 0.061944 0.625230 O\n0.436714 0.528860 0.374770 O\n",
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"formula_full": "Na4 Ni1 Ag2 S8 N5 O12",
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"energy": -166.45953938,
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{
"id": "mp-1216859",
"created_at": "2022-09-04T14:46:17.743173Z",
"structure_string": "Ti4 Cr4 Sb4 O24\n1.0\n4.675802 4.675805 -0.000009\n-4.675760 4.675763 0.000009\n-0.000017 0.000000 9.182798\nTi Cr Sb O\n4 4 4 24\ndirect\n0.500000 0.999991 0.495646 Ti\n0.999946 0.499987 0.495689 Ti\n0.999975 0.000027 0.995677 Ti\n0.500058 0.500007 0.995634 Ti\n0.999953 0.499989 0.167000 Cr\n0.499984 0.499996 0.667003 Cr\n0.499984 0.999978 0.167012 Cr\n0.000019 0.999999 0.666969 Cr\n0.499996 0.999998 0.833226 Sb\n0.999988 0.499996 0.833257 Sb\n0.999992 0.000012 0.333251 Sb\n0.500025 0.500003 0.333222 Sb\n0.499998 0.307479 0.164918 O\n0.000014 0.807482 0.164926 O\n0.500000 0.692529 0.164915 O\n0.000014 0.192532 0.164923 O\n0.307452 0.999996 0.664907 O\n0.807461 0.500000 0.664901 O\n0.692535 0.999998 0.664904 O\n0.192533 0.500004 0.664906 O\n0.499999 0.303401 0.499069 O\n0.000001 0.803396 0.499085 O\n0.500002 0.696597 0.499072 O\n0.000001 0.196600 0.499092 O\n0.303382 0.000002 0.999051 O\n0.803425 0.500005 0.999086 O\n0.696596 0.000003 0.999061 O\n0.196621 0.500002 0.999066 O\n0.500003 0.306040 0.838050 O\n0.000005 0.806035 0.838071 O\n0.500002 0.693955 0.838047 O\n0.000002 0.193955 0.838067 O\n0.306017 0.999999 0.338069 O\n0.806042 0.500002 0.338081 O\n0.693963 0.000001 0.338066 O\n0.194015 0.500004 0.338089 O\n",
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"formula_full": "Ti4 Cr4 Sb4 O24",
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{
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{
"id": "mp-973668",
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"structure_string": "Lu1 Si3\n1.0\n4.077339 0.000000 0.000000\n0.000000 4.077339 0.000000\n0.000000 0.000000 4.077339\nLu Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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