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{
"id": "mp-1185831",
"created_at": "2022-09-04T14:41:17.151413Z",
"structure_string": "Mg5 Pb1\n1.0\n1.669231 5.898929 0.000000\n-1.669231 5.898929 0.000000\n0.000000 2.040920 7.391988\nMg Pb\n5 1\ndirect\n0.997295 0.997295 0.995204 Mg\n0.280719 0.280719 0.939563 Mg\n0.668129 0.668129 0.670808 Mg\n0.942376 0.942376 0.614237 Mg\n0.334037 0.334037 0.334791 Mg\n0.610780 0.610780 0.278731 Pb\n",
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{
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{
"id": "mp-1071595",
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"structure_string": "Pr2 Sn2 Au2\n1.0\n2.373525 -4.111066 0.000000\n2.373525 4.111066 0.000000\n0.000000 0.000000 8.049791\nPr Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
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"formula_full": "Pr2 Sn2 Au2",
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{
"id": "mp-1039631",
"created_at": "2022-09-04T14:41:58.160212Z",
"structure_string": "Ce4 Mg2\n1.0\n5.869973 -2.891374 0.000000\n5.869973 2.891374 0.000000\n4.445768 0.000000 4.801226\nCe Mg\n4 2\ndirect\n0.000000 0.696956 0.303044 Ce\n0.696956 0.303044 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.303044 0.000000 0.696956 Ce\n0.829489 0.829489 0.829489 Mg\n0.170511 0.170511 0.170511 Mg\n",
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"density": 6.205783756799632,
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"volume": 162.9755742523504,
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"formula_full": "Ce4 Mg2",
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"spacegroup": 155
},
{
"id": "mp-1607",
"created_at": "2022-09-04T14:42:00.327956Z",
"structure_string": "Yb1 Cu5\n1.0\n2.484211 -4.302780 0.000000\n2.484211 4.302780 0.000000\n0.000000 0.000000 4.084341\nYb Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n",
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"spacegroup": 191
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{
"id": "mp-21899",
"created_at": "2022-09-04T14:41:57.618032Z",
"structure_string": "U1 Zn1 Ni4\n1.0\n0.000000 3.422642 3.422642\n3.422642 0.000000 3.422642\n3.422642 3.422642 0.000000\nU Zn Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 Zn\n0.376200 0.871400 0.376200 Ni\n0.376200 0.376200 0.871400 Ni\n0.871400 0.376200 0.376200 Ni\n0.376200 0.376200 0.376200 Ni\n",
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"Zn",
"Ni"
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"formula_full": "U1 Zn1 Ni4",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:35:33.654000Z",
"spacegroup": 216
},
{
"id": "mp-27726",
"created_at": "2022-09-04T14:41:59.119833Z",
"structure_string": "S2 O4\n1.0\n3.249491 -3.493716 0.000000\n3.249491 3.493716 0.000000\n0.000000 0.000000 6.691266\nS O\n2 4\ndirect\n0.359902 0.640098 0.500000 S\n0.859902 0.140098 0.000000 S\n0.606453 0.671545 0.373521 O\n0.328455 0.393547 0.626479 O\n0.106453 0.171545 0.126479 O\n0.828455 0.893547 0.873521 O\n",
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"spacegroup": 41
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{
"id": "mp-1220340",
"created_at": "2022-09-04T14:41:57.037230Z",
"structure_string": "Nd2 Ge3 Pd1\n1.0\n4.195079 0.000000 0.000000\n0.000000 4.348099 0.000000\n0.000000 0.000000 7.381423\nNd Ge Pd\n2 3 1\ndirect\n0.000000 0.500000 0.996938 Nd\n0.000000 0.000000 0.501232 Nd\n0.500000 0.000000 0.835499 Ge\n0.500000 0.000000 0.173233 Ge\n0.500000 0.500000 0.662231 Ge\n0.500000 0.500000 0.330867 Pd\n",
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"volume": 134.64172318013823,
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"formula_full": "Nd2 Ge3 Pd1",
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"energy": -33.49127025,
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{
"id": "mp-568592",
"created_at": "2022-09-04T14:41:58.267258Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n9.723311 -1.822915 0.000000\n9.723311 1.822915 0.000000\n9.381552 0.000000 3.138831\nZr N Cl\n2 2 2\ndirect\n0.787870 0.787870 0.787870 Zr\n0.212130 0.212130 0.212130 Zr\n0.863251 0.863251 0.863251 N\n0.136749 0.136749 0.136749 N\n0.391922 0.391922 0.391922 Cl\n0.608078 0.608078 0.608078 Cl\n",
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{
"id": "mp-1077346",
"created_at": "2022-09-04T14:41:58.380672Z",
"structure_string": "Hg4 N2\n1.0\n0.000000 5.146761 5.146761\n5.146761 0.000000 5.146761\n5.146761 5.146761 0.000000\nHg N\n4 2\ndirect\n0.125000 0.125000 0.625000 Hg\n0.125000 0.625000 0.125000 Hg\n0.625000 0.125000 0.125000 Hg\n0.125000 0.125000 0.125000 Hg\n0.250000 0.250000 0.250000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1576",
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"structure_string": "Tm2 Ni4\n1.0\n0.000000 3.554442 3.554442\n3.554442 0.000000 3.554442\n3.554442 3.554442 0.000000\nTm Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Tm\n0.125000 0.125000 0.625000 Ni\n0.125000 0.625000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.125000 0.125000 Ni\n",
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{
"id": "mp-1018769",
"created_at": "2022-09-04T14:42:02.364811Z",
"structure_string": "Li3 Nd1 Sb2\n1.0\n2.307702 -3.997058 0.000000\n2.307702 3.997058 0.000000\n0.000000 0.000000 7.341129\nLi Nd Sb\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.352236 Li\n0.333333 0.666667 0.647764 Li\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.745624 Sb\n0.333333 0.666667 0.254376 Sb\n",
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"volume": 135.4294229480274,
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"formula_full": "Li3 Nd1 Sb2",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:38.217000Z",
"spacegroup": 164
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]
}