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{
"id": "mp-625996",
"created_at": "2022-09-04T14:46:15.131471Z",
"structure_string": "Na2 H2 O2\n1.0\n3.643134 0.000000 0.000000\n0.000000 3.380496 0.000000\n0.000000 0.998945 5.560175\nNa H O\n2 2 2\ndirect\n0.000000 0.083532 0.691016 Na\n0.500000 0.897812 0.265930 Na\n0.000000 0.454521 0.111116 H\n0.500000 0.476887 0.621759 H\n0.000000 0.380576 0.285267 O\n0.500000 0.649366 0.742239 O\n",
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{
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{
"id": "mp-1094694",
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"structure_string": "Mg2 Cd4\n1.0\n2.626726 4.784368 0.000000\n-2.626726 4.784368 0.000000\n0.000000 3.460233 5.255242\nMg Cd\n2 4\ndirect\n0.083790 0.916210 0.250000 Mg\n0.916210 0.083790 0.750000 Mg\n0.247683 0.419891 0.743686 Cd\n0.580109 0.752317 0.756314 Cd\n0.419891 0.247683 0.243686 Cd\n0.752317 0.580109 0.256314 Cd\n",
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"formula_full": "Mg2 Cd4",
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{
"id": "mp-1094572",
"created_at": "2022-09-04T14:46:19.520464Z",
"structure_string": "Mg4 Sb2\n1.0\n2.891875 -4.606335 0.000000\n2.891875 4.606335 0.000000\n0.000000 0.000000 5.434042\nMg Sb\n4 2\ndirect\n0.023925 0.347936 0.750000 Mg\n0.347936 0.023925 0.750000 Mg\n0.652064 0.976075 0.250000 Mg\n0.976075 0.652064 0.250000 Mg\n0.705159 0.705159 0.750000 Sb\n0.294841 0.294841 0.250000 Sb\n",
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"volume": 144.77314952504486,
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"formula_full": "Mg4 Sb2",
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{
"id": "mp-756702",
"created_at": "2022-09-04T14:46:20.111316Z",
"structure_string": "Pr2 Br2 O2\n1.0\n10.317292 -2.036982 0.000000\n10.317292 2.036982 0.000000\n9.915123 0.000000 3.505160\nPr Br O\n2 2 2\ndirect\n0.215628 0.215628 0.215628 Pr\n0.784372 0.784372 0.784372 Pr\n0.386754 0.386754 0.386754 Br\n0.613246 0.613246 0.613246 Br\n0.137594 0.137594 0.137594 O\n0.862406 0.862406 0.862406 O\n",
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"formula_full": "Pr2 Br2 O2",
"formula_reduced": "PrBrO",
"formula_anonymous": "ABC",
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"spacegroup": 166
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{
"id": "mp-644271",
"created_at": "2022-09-04T14:46:17.785295Z",
"structure_string": "Li2 H2 S2\n1.0\n2.761793 -2.816207 0.000000\n2.761793 2.816207 0.000000\n0.000000 0.000000 6.174690\nLi H S\n2 2 2\ndirect\n0.501579 0.501579 0.000000 Li\n0.501579 0.501579 0.500000 Li\n0.133294 0.983815 0.750000 H\n0.983815 0.133294 0.250000 H\n0.998790 0.474944 0.250000 S\n0.474944 0.998790 0.750000 S\n",
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"density": 1.3835331107281414,
"density_atomic": 0.06246696382664269,
"volume": 96.05077039843177,
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"formula_full": "Li2 H2 S2",
"formula_reduced": "LiHS",
"formula_anonymous": "ABC",
"energy": -24.48778882,
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"updated_at": "2021-11-28T01:37:28.253000Z",
"spacegroup": 40
},
{
"id": "mp-1185860",
"created_at": "2022-09-04T14:46:25.625271Z",
"structure_string": "Mg1 Cu5\n1.0\n-3.938863 2.274102 0.000000\n0.000000 -4.548208 0.000000\n-1.312955 2.274102 4.276390\nMg Cu\n1 5\ndirect\n0.833332 0.499999 0.500000 Mg\n0.656688 0.323354 0.000000 Cu\n0.333332 0.676645 0.000000 Cu\n0.009978 0.999999 0.000000 Cu\n0.501937 0.831395 0.494188 Cu\n0.164727 0.168604 0.505814 Cu\n",
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"volume": 76.61053561488804,
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"formula_full": "Mg1 Cu5",
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"spacegroup": 155
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{
"id": "mp-1219900",
"created_at": "2022-09-04T14:46:12.793093Z",
"structure_string": "Pr2 U1 P3\n1.0\n-2.049524 2.907047 6.207737\n2.049524 -2.907047 6.207737\n2.049524 2.907047 -6.207737\nPr U P\n2 1 3\ndirect\n0.668256 0.668256 0.000000 Pr\n0.331744 0.331744 0.000000 Pr\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 P\n0.154005 0.654005 0.500000 P\n0.845995 0.345995 0.500000 P\n",
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"U",
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"volume": 147.9443424927839,
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"formula_full": "Pr2 U1 P3",
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{
"id": "mp-1210773",
"created_at": "2022-09-04T14:46:12.787894Z",
"structure_string": "Mn2 Ga2 Ni2\n1.0\n-2.064371 -3.575594 0.000000\n-2.064371 3.575594 0.000000\n0.000000 0.000000 -5.166194\nMn Ga Ni\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n",
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"volume": 76.26699862890999,
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{
"id": "mp-9898",
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"structure_string": "Ba2 Cu2 As2\n1.0\n2.188456 -3.790517 0.000000\n2.188456 3.790517 0.000000\n0.000000 0.000000 9.277041\nBa Cu As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750000 As\n",
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{
"id": "mp-1182317",
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"structure_string": "Au1 Br3 N2\n1.0\n4.046741 3.951725 0.000000\n-4.046741 3.951725 0.000000\n0.000000 3.413526 5.551159\nAu Br N\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Br\n0.222538 0.222538 0.165571 Br\n0.777462 0.777462 0.834429 Br\n0.228457 0.228457 0.655931 N\n0.771543 0.771543 0.344069 N\n",
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{
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"formula_full": "Zr2 I2 N2",
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]
}