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{
"id": "mp-1222765",
"created_at": "2022-09-04T14:48:24.927745Z",
"structure_string": "La1 Zn3 Ni2\n1.0\n2.628756 -4.553139 0.000000\n2.628756 4.553139 0.000000\n0.000000 0.000000 4.113232\nLa Zn Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
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{
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{
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"volume": 131.77474603168116,
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"formula_full": "Nd2 Si2 Ge2",
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"spacegroup": 74
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{
"id": "mp-1215896",
"created_at": "2022-09-04T14:48:29.484491Z",
"structure_string": "Y1 Pa1 O4\n1.0\n3.815154 0.000000 0.000000\n0.000000 3.815154 0.000000\n0.000000 0.000000 5.405096\nY Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.739356 O\n0.000000 0.500000 0.260644 O\n0.500000 0.000000 0.260644 O\n0.000000 0.500000 0.739356 O\n",
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"formula_full": "Y1 Pa1 O4",
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"updated_at": "2021-11-28T01:39:22.155000Z",
"spacegroup": 123
},
{
"id": "mp-569626",
"created_at": "2022-09-04T14:48:28.585134Z",
"structure_string": "Mg2 Cl4\n1.0\n2.123746 -3.917877 0.000000\n2.123746 3.917877 0.000000\n0.000000 0.000000 9.554263\nMg Cl\n2 4\ndirect\n0.020244 0.055318 0.250000 Mg\n0.055318 0.020244 0.750000 Mg\n0.357079 0.729677 0.250000 Cl\n0.070841 0.070841 0.500000 Cl\n0.070841 0.070841 0.000000 Cl\n0.729677 0.357079 0.750000 Cl\n",
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"volume": 158.99393532594956,
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"formula_full": "Mg2 Cl4",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:39:42.998000Z",
"spacegroup": 40
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{
"id": "mp-9939",
"created_at": "2022-09-04T14:48:27.378862Z",
"structure_string": "Hf4 Ge2\n1.0\n-3.320305 3.320305 2.648973\n3.320305 -3.320305 2.648973\n3.320305 3.320305 -2.648973\nHf Ge\n4 2\ndirect\n0.155020 0.344980 0.500000 Hf\n0.344980 0.844980 0.189960 Hf\n0.844980 0.655020 0.500000 Hf\n0.655020 0.155020 0.810040 Hf\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n",
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"density": 12.214342731881771,
"density_atomic": 0.05136387359598798,
"volume": 116.81361976696124,
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"formula_full": "Hf4 Ge2",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:39:23.223000Z",
"spacegroup": 140
},
{
"id": "mp-1226814",
"created_at": "2022-09-04T14:48:29.044685Z",
"structure_string": "Ce2 Fe1 Si3\n1.0\n2.021004 -3.500482 0.000000\n2.021004 3.500482 0.000000\n0.000000 0.000000 8.121905\nCe Fe Si\n2 1 3\ndirect\n0.666667 0.333333 0.238647 Ce\n0.666667 0.333333 0.761353 Ce\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.000000 Si\n0.333333 0.666667 0.500000 Si\n",
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"density": 6.073795684313872,
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"volume": 114.91664093234289,
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"formula_full": "Ce2 Fe1 Si3",
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"formula_anonymous": "AB2C3",
"energy": -39.82484932,
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{
"id": "mp-1077267",
"created_at": "2022-09-04T14:48:29.634043Z",
"structure_string": "Er2 Si4\n1.0\n-1.967918 1.967918 7.359558\n1.967918 -1.967918 7.359558\n1.967918 1.967918 -7.359558\nEr Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.167953 0.667953 0.500000 Si\n0.582047 0.582047 0.000000 Si\n0.332047 0.832047 0.500000 Si\n0.417953 0.417953 0.000000 Si\n",
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"volume": 114.0054780032562,
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"formula_full": "Er2 Si4",
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"spacegroup": 141
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{
"id": "mp-1221654",
"created_at": "2022-09-04T14:48:28.428986Z",
"structure_string": "Mn2 Fe2 B2\n1.0\n0.000000 3.577054 3.598857\n2.103217 0.000000 3.598857\n2.103217 3.577054 0.000000\nMn Fe B\n2 2 2\ndirect\n0.837122 0.162878 0.837122 Mn\n0.162878 0.837122 0.162878 Mn\n0.666719 0.666719 0.333281 Fe\n0.333281 0.333281 0.666719 Fe\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 B\n",
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"updated_at": "2021-11-28T01:39:46.871000Z",
"spacegroup": 69
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{
"id": "mp-1094901",
"created_at": "2022-09-04T14:48:26.000908Z",
"structure_string": "Mg2 Cd4\n1.0\n1.595293 5.831798 0.000000\n-1.595293 5.831798 0.000000\n0.000000 2.028446 7.101148\nMg Cd\n2 4\ndirect\n0.526938 0.526938 0.196431 Mg\n0.473062 0.473062 0.803569 Mg\n0.808782 0.808782 0.137167 Cd\n0.136946 0.136946 0.471645 Cd\n0.863054 0.863054 0.528355 Cd\n0.191218 0.191218 0.862833 Cd\n",
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{
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"formula_anonymous": "ABC2D2",
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{
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"volume": 97.57295465522135,
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"formula_full": "Y1 Si2 Rh3",
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"energy": -45.53726691,
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]
}