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{
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{
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{
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{
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{
"id": "mp-1097502",
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"structure_string": "Ti1 Al1 Tc2\n1.0\n-4.685216 5.391864 7.625583\n4.685216 -5.391864 7.625583\n4.685216 5.391864 -7.625583\nTi Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.267729 0.267729 Tc\n0.000000 0.732271 0.732271 Tc\n",
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{
"id": "mp-1097546",
"created_at": "2022-09-04T14:48:20.888395Z",
"structure_string": "Y2 Mg1 Os1\n1.0\n-5.869270 6.165241 7.704236\n5.869270 -6.165241 7.704236\n5.869270 6.165241 -7.704236\nY Mg Os\n2 1 1\ndirect\n0.000000 0.295004 0.295004 Y\n0.000000 0.704996 0.704996 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Os\n",
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{
"id": "mp-707454",
"created_at": "2022-09-04T14:42:24.231872Z",
"structure_string": "Li8 H96 N32\n1.0\n-7.527402 7.527402 7.527402\n7.527402 -7.527402 7.527402\n7.527402 7.527402 -7.527402\nLi H N\n8 96 32\ndirect\n0.500000 0.000000 0.756033 Li\n0.756033 0.500000 0.000000 Li\n0.000000 0.756033 0.500000 Li\n0.743967 0.743967 0.743967 Li\n0.256033 0.500000 0.000000 Li\n0.500000 0.000000 0.256033 Li\n0.000000 0.256033 0.500000 Li\n0.243967 0.243967 0.243967 Li\n0.460483 0.048888 0.563970 H\n0.515082 0.451112 0.911595 H\n0.039517 0.603487 0.588405 H\n0.984918 0.896513 0.936030 H\n0.063970 0.548888 0.960483 H\n0.411595 0.951112 0.015082 H\n0.088405 0.103487 0.539517 H\n0.436030 0.396513 0.484918 H\n0.563970 0.460483 0.048888 H\n0.911595 0.515082 0.451112 H\n0.588405 0.039517 0.603487 H\n0.936030 0.984918 0.896513 H\n0.960483 0.063970 0.548888 H\n0.015082 0.411595 0.951112 H\n0.539517 0.088405 0.103487 H\n0.484918 0.436030 0.396513 H\n0.048888 0.563970 0.460483 H\n0.451112 0.911595 0.515082 H\n0.603487 0.588405 0.039517 H\n0.896513 0.936030 0.984918 H\n0.548888 0.960483 0.063970 H\n0.951112 0.015082 0.411595 H\n0.103487 0.539517 0.088405 H\n0.396513 0.484918 0.436030 H\n0.424793 0.168743 0.777656 H\n0.608913 0.331257 0.756050 H\n0.075207 0.852863 0.743950 H\n0.891087 0.647137 0.722344 H\n0.277656 0.668743 0.924793 H\n0.256050 0.831257 0.108913 H\n0.243950 0.352863 0.575207 H\n0.222344 0.147137 0.391087 H\n0.777656 0.424793 0.168743 H\n0.756050 0.608913 0.331257 H\n0.743950 0.075207 0.852863 H\n0.722344 0.891087 0.647137 H\n0.924793 0.277656 0.668743 H\n0.108913 0.256050 0.831257 H\n0.575207 0.243950 0.352863 H\n0.391087 0.222344 0.147137 H\n0.168743 0.777656 0.424793 H\n0.331257 0.756050 0.608913 H\n0.852863 0.743950 0.075207 H\n0.647137 0.722344 0.891087 H\n0.668743 0.924793 0.277656 H\n0.831257 0.108913 0.256050 H\n0.352863 0.575207 0.243950 H\n0.147137 0.391087 0.222344 H\n0.535404 0.219165 0.918460 H\n0.699295 0.280835 0.816238 H\n0.964596 0.883057 0.683762 H\n0.800705 0.616943 0.581540 H\n0.418460 0.719165 0.035404 H\n0.316238 0.780835 0.199295 H\n0.183762 0.383057 0.464596 H\n0.081540 0.116943 0.300705 H\n0.918460 0.535404 0.219165 H\n0.816238 0.699295 0.280835 H\n0.683762 0.964596 0.883057 H\n0.581540 0.800705 0.616943 H\n0.035404 0.418460 0.719165 H\n0.199295 0.316238 0.780835 H\n0.464596 0.183762 0.383057 H\n0.300705 0.081540 0.116943 H\n0.219165 0.918460 0.535404 H\n0.280835 0.816238 0.699295 H\n0.883057 0.683762 0.964596 H\n0.616943 0.581540 0.800705 H\n0.719165 0.035404 0.418460 H\n0.780835 0.199295 0.316238 H\n0.383057 0.464596 0.183762 H\n0.116943 0.300705 0.081540 H\n0.393088 0.112606 0.865696 H\n0.753090 0.387394 0.780482 H\n0.106912 0.972608 0.719518 H\n0.746910 0.527392 0.634304 H\n0.365696 0.612606 0.893088 H\n0.280482 0.887394 0.253090 H\n0.219518 0.472608 0.606912 H\n0.134304 0.027392 0.246910 H\n0.865696 0.393088 0.112606 H\n0.780482 0.753090 0.387394 H\n0.719518 0.106912 0.972608 H\n0.634304 0.746910 0.527392 H\n0.893088 0.365696 0.612606 H\n0.253090 0.280482 0.887394 H\n0.606912 0.219518 0.472608 H\n0.246910 0.134304 0.027392 H\n0.112606 0.865696 0.393088 H\n0.387394 0.780482 0.753090 H\n0.972608 0.719518 0.106912 H\n0.527392 0.634304 0.746910 H\n0.612606 0.893088 0.365696 H\n0.887394 0.253090 0.280482 H\n0.472608 0.606912 0.219518 H\n0.027392 0.246910 0.134304 H\n0.500000 0.000000 0.592522 N\n0.592522 0.500000 0.000000 N\n0.000000 0.592522 0.500000 N\n0.907478 0.907478 0.907478 N\n0.092522 0.500000 0.000000 N\n0.500000 0.000000 0.092522 N\n0.000000 0.092522 0.500000 N\n0.407478 0.407478 0.407478 N\n0.458787 0.139278 0.838719 N\n0.699441 0.360722 0.819509 N\n0.041213 0.879932 0.680491 N\n0.800559 0.620068 0.661281 N\n0.338719 0.639278 0.958787 N\n0.319509 0.860722 0.199441 N\n0.180491 0.379932 0.541213 N\n0.161281 0.120068 0.300559 N\n0.838719 0.458787 0.139278 N\n0.819509 0.699441 0.360722 N\n0.680491 0.041213 0.879932 N\n0.661281 0.800559 0.620068 N\n0.958787 0.338719 0.639278 N\n0.199441 0.319509 0.860722 N\n0.541213 0.180491 0.379932 N\n0.300559 0.161281 0.120068 N\n0.139278 0.838719 0.458787 N\n0.360722 0.819509 0.699441 N\n0.879932 0.680491 0.041213 N\n0.620068 0.661281 0.800559 N\n0.639278 0.958787 0.338719 N\n0.860722 0.199441 0.319509 N\n0.379932 0.541213 0.180491 N\n0.120068 0.300559 0.161281 N\n",
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{
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{
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{
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{
"id": "mp-1097131",
"created_at": "2022-09-04T14:44:54.369516Z",
"structure_string": "Na1 Cd2 Rh1\n1.0\n-5.667862 5.727693 7.653738\n5.667862 -5.727693 7.653738\n5.667862 5.727693 -7.653738\nNa Cd Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.268094 0.268094 Cd\n0.000000 0.731906 0.731906 Cd\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Rh"
],
"chemical_system": "Cd-Na-Rh",
"density": 0.5859676847369844,
"density_atomic": 0.004024643424900351,
"volume": 993.876867513807,
"volume_molar": 149.63165985690043,
"formula_full": "Na1 Cd2 Rh1",
"formula_reduced": "NaCd2Rh",
"formula_anonymous": "ABC2",
"energy": -5.4410846,
"energy_per_atom": -1.36027115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.4410846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9742646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.316000Z",
"spacegroup": 71
}
]
}