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{
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"results": [
{
"id": "mp-1100812",
"created_at": "2022-09-04T14:43:57.112159Z",
"structure_string": "Zr8 Fe2 Bi2 Pb8 O30\n1.0\n14.659715 5.103648 0.000000\n-14.659715 5.103648 0.000000\n0.000000 3.374172 4.892031\nZr Fe Bi Pb O\n8 2 2 8 30\ndirect\n0.374936 0.476481 0.670814 Zr\n0.273985 0.574414 0.165379 Zr\n0.977336 0.875158 0.671398 Zr\n0.875158 0.977336 0.171398 Zr\n0.574414 0.273985 0.665379 Zr\n0.476481 0.374936 0.170814 Zr\n0.075413 0.773627 0.166099 Zr\n0.773627 0.075413 0.666099 Zr\n0.174017 0.674735 0.684125 Fe\n0.674735 0.174017 0.184125 Fe\n0.389910 0.888214 0.040825 Bi\n0.888214 0.389910 0.540825 Bi\n0.000051 0.310967 0.982751 Pb\n0.606081 0.705307 0.984287 Pb\n0.495868 0.805132 0.480770 Pb\n0.204164 0.104566 0.986198 Pb\n0.104566 0.204164 0.486198 Pb\n0.805132 0.495868 0.980770 Pb\n0.705307 0.606081 0.484287 Pb\n0.310967 0.000051 0.482751 Pb\n0.365672 0.574927 0.377551 O\n0.809584 0.025904 0.381286 O\n0.373661 0.569094 0.878653 O\n0.966627 0.972600 0.376782 O\n0.041744 0.325383 0.381366 O\n0.411133 0.425870 0.376198 O\n0.822845 0.011216 0.878788 O\n0.972600 0.966627 0.876782 O\n0.569094 0.373661 0.378653 O\n0.123713 0.244077 0.876900 O\n0.644363 0.723260 0.377062 O\n0.011216 0.822845 0.378788 O\n0.425870 0.411133 0.876198 O\n0.574927 0.365672 0.877551 O\n0.178150 0.779769 0.367364 O\n0.723260 0.644363 0.877062 O\n0.244077 0.123713 0.376900 O\n0.613419 0.225641 0.365477 O\n0.025904 0.809584 0.881286 O\n0.179348 0.768549 0.871075 O\n0.768549 0.179348 0.371075 O\n0.325383 0.041744 0.881366 O\n0.848695 0.518437 0.386940 O\n0.214592 0.634836 0.365696 O\n0.634836 0.214592 0.865696 O\n0.779769 0.178150 0.867364 O\n0.929945 0.451583 0.853713 O\n0.451583 0.929945 0.353713 O\n0.225641 0.613419 0.865477 O\n0.518437 0.848695 0.886940 O\n",
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],
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"density": 7.705882423165869,
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"formula_full": "Zr8 Fe2 Bi2 Pb8 O30",
"formula_reduced": "Zr4FeBiPb4O15",
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"updated_at": "2021-11-28T01:36:21.186000Z",
"spacegroup": 9
},
{
"id": "mp-643907",
"created_at": "2022-09-04T14:40:57.127433Z",
"structure_string": "Zr8 Fe4 H20\n1.0\n6.920193 0.000000 0.000000\n0.000000 6.920193 0.000000\n0.000000 0.000000 5.652834\nZr Fe H\n8 4 20\ndirect\n0.161731 0.838269 0.250000 Zr\n0.161731 0.161731 0.750000 Zr\n0.838269 0.838269 0.750000 Zr\n0.838269 0.161731 0.250000 Zr\n0.338269 0.661731 0.750000 Zr\n0.338269 0.338269 0.250000 Zr\n0.661731 0.661731 0.250000 Zr\n0.661731 0.338269 0.750000 Zr\n0.000000 0.500000 0.487690 Fe\n0.000000 0.500000 0.987690 Fe\n0.500000 0.000000 0.512310 Fe\n0.500000 0.000000 0.012310 Fe\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.786649 0.417244 0.427084 H\n0.786649 0.582756 0.927084 H\n0.213351 0.417244 0.927084 H\n0.213351 0.582756 0.427084 H\n0.917244 0.286649 0.927084 H\n0.917244 0.713351 0.427084 H\n0.082756 0.286649 0.427084 H\n0.082756 0.713351 0.927084 H\n0.713351 0.082756 0.572916 H\n0.713351 0.917244 0.072916 H\n0.286649 0.082756 0.072916 H\n0.286649 0.917244 0.572916 H\n0.582756 0.213351 0.072916 H\n0.582756 0.786649 0.572916 H\n0.417244 0.213351 0.572916 H\n0.417244 0.786649 0.072916 H\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Fe-H-Zr",
"density": 5.970447968970015,
"density_atomic": 0.11820812601617056,
"volume": 270.70896966611656,
"volume_molar": 5.094523501012263,
"formula_full": "Zr8 Fe4 H20",
"formula_reduced": "Zr2FeH5",
"formula_anonymous": "AB2C5",
"energy": -186.56003999,
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"updated_at": "2021-11-28T01:35:01.039000Z",
"spacegroup": 130
},
{
"id": "mp-17435",
"created_at": "2022-09-04T14:39:57.993196Z",
"structure_string": "Zr8 Fe8 Si14\n1.0\n-6.540509 6.540509 2.522583\n6.540509 -6.540509 2.522583\n6.540509 6.540509 -2.522583\nZr Fe Si\n8 8 14\ndirect\n0.696459 0.500000 0.196459 Zr\n0.500000 0.696459 0.196459 Zr\n0.500000 0.303541 0.803541 Zr\n0.303541 0.500000 0.803541 Zr\n0.861937 0.861937 0.723875 Zr\n0.138063 0.861937 0.000000 Zr\n0.861937 0.138063 0.000000 Zr\n0.138063 0.138063 0.276125 Zr\n0.102155 0.897845 0.500000 Fe\n0.897845 0.397845 0.795690 Fe\n0.602155 0.102155 0.204310 Fe\n0.102155 0.602155 0.204310 Fe\n0.602155 0.397845 0.500000 Fe\n0.397845 0.897845 0.795690 Fe\n0.897845 0.102155 0.500000 Fe\n0.397845 0.602155 0.500000 Fe\n0.749918 0.749918 0.000000 Si\n0.250082 0.250082 0.000000 Si\n0.091226 0.500000 0.591226 Si\n0.500000 0.091226 0.591226 Si\n0.500000 0.908774 0.408774 Si\n0.908774 0.500000 0.408774 Si\n0.699553 0.000000 0.699553 Si\n0.000000 0.699553 0.699553 Si\n0.710468 0.710468 0.420936 Si\n0.289532 0.710468 0.000000 Si\n0.300447 0.000000 0.300447 Si\n0.710468 0.289532 0.000000 Si\n0.289532 0.289532 0.579064 Si\n0.000000 0.300447 0.300447 Si\n",
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"elements": [
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],
"chemical_system": "Fe-Si-Zr",
"density": 6.038801598732182,
"density_atomic": 0.06950126407822982,
"volume": 431.64682539057634,
"volume_molar": 8.664793137030642,
"formula_full": "Zr8 Fe8 Si14",
"formula_reduced": "Zr4Fe4Si7",
"formula_anonymous": "A4B4C7",
"energy": -233.49384446,
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"updated_at": "2021-11-28T01:34:51.545000Z",
"spacegroup": 139
},
{
"id": "mp-1245440",
"created_at": "2022-09-04T14:43:45.512906Z",
"structure_string": "Zr8 Ga4 N12\n1.0\n6.167301 0.303963 -0.210255\n-9.475790 4.909663 0.000000\n-0.714177 -1.378381 10.225555\nZr Ga N\n8 4 12\ndirect\n0.523277 0.142902 0.796279 Zr\n0.476723 0.619626 0.703721 Zr\n0.476723 0.857098 0.203721 Zr\n0.523277 0.380374 0.296279 Zr\n0.798087 0.023250 0.561167 Zr\n0.201913 0.225163 0.938833 Zr\n0.201913 0.976750 0.438833 Zr\n0.798087 0.774837 0.061167 Zr\n0.920596 0.565419 0.617656 Ga\n0.079404 0.644824 0.882344 Ga\n0.079404 0.434581 0.382344 Ga\n0.920596 0.355176 0.117656 Ga\n0.000000 0.750620 0.750000 N\n0.000000 0.249380 0.250000 N\n0.775570 0.212105 0.607071 N\n0.224430 0.436535 0.892929 N\n0.224430 0.787895 0.392929 N\n0.775570 0.563465 0.107071 N\n0.373124 0.097424 0.994669 N\n0.626876 0.724300 0.505331 N\n0.626876 0.902576 0.005331 N\n0.373124 0.275700 0.494669 N\n0.000000 0.028501 0.750000 N\n0.000000 0.971499 0.250000 N\n",
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"elements": [
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],
"chemical_system": "Ga-N-Zr",
"density": 5.8227263627743024,
"density_atomic": 0.07151530642981548,
"volume": 335.59249338536216,
"volume_molar": 8.420771804858415,
"formula_full": "Zr8 Ga4 N12",
"formula_reduced": "Zr2GaN3",
"formula_anonymous": "AB2C3",
"energy": -207.34805683,
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"updated_at": "2021-11-28T01:36:20.060000Z",
"spacegroup": 15
},
{
"id": "mp-1195791",
"created_at": "2022-09-04T14:41:18.999717Z",
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"updated_at": "2021-11-28T01:35:42.200000Z",
"spacegroup": 61
},
{
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{
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{
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]
}