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{
"id": "mp-1078637",
"created_at": "2022-09-04T14:40:36.292148Z",
"structure_string": "Bi8\n1.0\n3.404055 -5.540062 0.000000\n3.404056 5.540062 0.000000\n0.000000 0.000000 6.903931\nBi\n8\ndirect\n0.703996 0.296004 0.500000 Bi\n0.203996 0.796004 0.000000 Bi\n0.296004 0.703996 0.500000 Bi\n0.796004 0.203996 0.000000 Bi\n0.333113 0.333113 0.833033 Bi\n0.666887 0.666887 0.166967 Bi\n0.166887 0.166887 0.333033 Bi\n0.833113 0.833113 0.666967 Bi\n",
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{
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{
"id": "mp-1076820",
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"structure_string": "Mg1 Co1 O3\n1.0\n3.697531 0.000000 0.000000\n0.000000 3.697531 0.000000\n0.000000 0.000000 3.697531\nMg Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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"updated_at": "2021-11-28T01:34:32.749000Z",
"spacegroup": 221
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{
"id": "mp-1070755",
"created_at": "2022-09-04T14:45:16.586535Z",
"structure_string": "Y2 Ga1 Ni2\n1.0\n-2.054278 2.759427 4.173815\n2.054278 -2.759427 4.173815\n2.054278 2.759427 -4.173815\nY Ga Ni\n2 1 2\ndirect\n0.705594 0.205594 0.500000 Y\n0.294406 0.794406 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.281828 0.500000 0.781828 Ni\n0.718172 0.500000 0.218172 Ni\n",
"nsites": 5,
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"formula_full": "Y2 Ga1 Ni2",
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"spacegroup": 71
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{
"id": "mp-1187157",
"created_at": "2022-09-04T14:46:18.001242Z",
"structure_string": "Sr2 Cl6\n1.0\n3.169923 -5.490468 0.000000\n3.169923 5.490468 0.000000\n0.000000 0.000000 5.721023\nSr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.173038 0.346077 0.250000 Cl\n0.653923 0.826962 0.250000 Cl\n0.173038 0.826962 0.250000 Cl\n0.826962 0.653923 0.750000 Cl\n0.346077 0.173038 0.750000 Cl\n0.826962 0.173038 0.750000 Cl\n",
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"elements": [
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"spacegroup": 194
},
{
"id": "mp-1028339",
"created_at": "2022-09-04T14:42:02.097539Z",
"structure_string": "Ca1 Mg14 Co1\n1.0\n6.444009 0.107580 0.000000\n-3.128838 5.419305 0.000000\n0.000000 0.000000 10.173587\nCa Mg Co\n1 14 1\ndirect\n0.141963 0.320981 0.125000 Ca\n0.170660 0.335329 0.625000 Mg\n0.162224 0.831112 0.625000 Mg\n0.633234 0.303703 0.125000 Mg\n0.663516 0.336790 0.625000 Mg\n0.633234 0.829530 0.125000 Mg\n0.663516 0.826725 0.625000 Mg\n0.336947 0.160012 0.372718 Mg\n0.336947 0.160012 0.877282 Mg\n0.336947 0.676936 0.372718 Mg\n0.336947 0.676936 0.877282 Mg\n0.833295 0.166648 0.388964 Mg\n0.833295 0.166648 0.861036 Mg\n0.862375 0.681188 0.345868 Mg\n0.862375 0.681188 0.904132 Mg\n0.192527 0.846263 0.125000 Co\n",
"nsites": 16,
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"elements": [
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"Mg",
"Co"
],
"chemical_system": "Ca-Co-Mg",
"density": 2.0335362531215204,
"density_atomic": 0.044604655789439195,
"volume": 358.70694923708464,
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"formula_full": "Ca1 Mg14 Co1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:28.846000Z",
"spacegroup": 38
},
{
"id": "mp-1236275",
"created_at": "2022-09-04T14:47:45.139992Z",
"structure_string": "Li1 Pr1 Nd1 O2\n1.0\n2.368945 0.913734 5.637769\n-2.368945 0.913734 5.637769\n0.000000 -2.071590 5.680689\nLi Pr Nd O\n1 1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nd\n0.259944 0.259944 0.257225 O\n0.740056 0.740056 0.742775 O\n",
"nsites": 5,
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"elements": [
"Li",
"Pr",
"Nd",
"O"
],
"chemical_system": "Li-Nd-O-Pr",
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"volume": 79.92718359473358,
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"formula_full": "Li1 Pr1 Nd1 O2",
"formula_reduced": "LiPrNdO2",
"formula_anonymous": "ABCD2",
"energy": -30.30603907,
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"spacegroup": 12
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{
"id": "mp-1022612",
"created_at": "2022-09-04T14:48:25.279992Z",
"structure_string": "Mg12 Zn2 Sn2\n1.0\n4.978129 0.000000 0.000000\n0.000000 6.484673 0.000000\n0.000000 0.000000 10.871838\nMg Zn Sn\n12 2 2\ndirect\n0.500000 0.249982 0.583721 Mg\n0.500000 0.750018 0.583721 Mg\n0.000000 0.260682 0.415864 Mg\n0.000000 0.739318 0.415864 Mg\n0.000000 0.000000 0.670348 Mg\n0.000000 0.000000 0.163778 Mg\n0.500000 0.749982 0.083721 Mg\n0.500000 0.250018 0.083721 Mg\n0.000000 0.760682 0.915864 Mg\n0.000000 0.239318 0.915864 Mg\n0.000000 0.500000 0.170348 Mg\n0.000000 0.500000 0.663778 Mg\n0.500000 0.000000 0.833044 Zn\n0.500000 0.500000 0.333044 Zn\n0.500000 0.000000 0.333665 Sn\n0.500000 0.500000 0.833665 Sn\n",
"nsites": 16,
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"elements": [
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"Zn",
"Sn"
],
"chemical_system": "Mg-Sn-Zn",
"density": 3.122257444329811,
"density_atomic": 0.04558928519306873,
"volume": 350.95965931996227,
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"formula_full": "Mg12 Zn2 Sn2",
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"spacegroup": 38
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{
"id": "mp-1026519",
"created_at": "2022-09-04T14:39:16.060471Z",
"structure_string": "Mg14 Bi1 B1\n1.0\n6.387487 -0.098184 0.000000\n-3.278773 5.679001 0.000000\n0.000000 0.000000 9.983084\nMg Bi B\n14 1 1\ndirect\n0.173987 0.336993 0.625000 Mg\n0.176831 0.838415 0.625000 Mg\n0.705047 0.347672 0.125000 Mg\n0.667590 0.327701 0.625000 Mg\n0.705047 0.857373 0.125000 Mg\n0.667590 0.839889 0.625000 Mg\n0.327321 0.182276 0.359137 Mg\n0.327321 0.182276 0.890863 Mg\n0.327321 0.645046 0.359137 Mg\n0.327321 0.645046 0.890863 Mg\n0.846676 0.173338 0.363900 Mg\n0.846676 0.173338 0.886100 Mg\n0.829618 0.664809 0.382248 Mg\n0.829618 0.664809 0.867752 Mg\n0.172613 0.836306 0.125000 Bi\n0.069424 0.284712 0.125000 B\n",
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{
"id": "mp-1066162",
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"structure_string": "Ir2 N2\n1.0\n1.548064 -2.681325 0.000000\n1.548064 2.681325 0.000000\n0.000000 0.000000 5.187796\nIr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
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{
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"structure_string": "Ti1 Al1 Rh2\n1.0\n0.000000 3.064159 3.064159\n3.064159 0.000000 3.064159\n3.064159 3.064159 0.000000\nTi Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"created_at": "2022-09-04T14:42:58.508570Z",
"structure_string": "Hf3 Hg1\n1.0\n-2.167602 2.167602 4.578323\n2.167602 -2.167602 4.578323\n2.167602 2.167602 -4.578323\nHf Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Hf\n0.250000 0.750000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Hg\n",
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]
}