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{
"id": "mp-642644",
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{
"id": "mp-779837",
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{
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{
"id": "mp-1100160",
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"structure_string": "Mg6 Cd1 B1\n1.0\n3.111761 -5.212656 0.000000\n3.111761 5.212656 0.000000\n0.000000 0.000000 4.908840\nMg Cd B\n6 1 1\ndirect\n0.665924 0.833814 0.000000 Mg\n0.166186 0.334076 0.000000 Mg\n0.844543 0.671514 0.500000 Mg\n0.328486 0.155457 0.500000 Mg\n0.832866 0.167134 0.500000 Mg\n0.327703 0.672297 0.500000 Mg\n0.666307 0.333693 0.000000 Cd\n0.167991 0.832009 0.000000 B\n",
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{
"id": "mvc-14772",
"created_at": "2022-09-04T14:43:24.195825Z",
"structure_string": "V4 Zn2 S8\n1.0\n6.179852 -0.004072 3.563450\n2.050896 5.834251 3.572518\n0.004786 0.013925 7.118419\nV Zn S\n4 2 8\ndirect\n0.499636 0.499334 0.494343 V\n0.494248 0.495669 0.016211 V\n0.006414 0.499208 0.494733 V\n0.499630 0.005048 0.495609 V\n0.876600 0.876296 0.870732 Zn\n0.125041 0.130124 0.119821 Zn\n0.738971 0.736343 0.742840 S\n0.259820 0.258486 0.721963 S\n0.255113 0.730707 0.259029 S\n0.726429 0.255807 0.261014 S\n0.737896 0.280662 0.743192 S\n0.281997 0.736142 0.742762 S\n0.256831 0.255850 0.261005 S\n0.741377 0.740320 0.276747 S\n",
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{
"id": "mp-710380",
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"structure_string": "Al8 Si16 H8 C48 N8 Cl24\n1.0\n9.520081 0.000000 0.000000\n0.000000 16.672593 0.000000\n0.000000 0.000000 17.840705\nAl Si H C N Cl\n8 16 8 48 8 24\ndirect\n0.029338 0.903772 0.865596 Al\n0.470662 0.096228 0.365596 Al\n0.529338 0.596228 0.134404 Al\n0.970662 0.403772 0.634404 Al\n0.970662 0.096228 0.134404 Al\n0.529338 0.903772 0.634404 Al\n0.470662 0.403772 0.865596 Al\n0.029338 0.596228 0.365596 Al\n0.162059 0.815892 0.117955 Si\n0.337941 0.184108 0.617955 Si\n0.662059 0.684108 0.882045 Si\n0.837941 0.315892 0.382045 Si\n0.837941 0.184108 0.882045 Si\n0.662059 0.815892 0.382045 Si\n0.337941 0.315892 0.117955 Si\n0.162059 0.684108 0.617955 Si\n0.359288 0.932597 0.902559 Si\n0.140712 0.067403 0.402559 Si\n0.859288 0.567403 0.097441 Si\n0.640712 0.432597 0.597441 Si\n0.640712 0.067403 0.097441 Si\n0.859288 0.932597 0.597441 Si\n0.140712 0.432597 0.902559 Si\n0.359288 0.567403 0.402559 Si\n0.166271 0.981902 0.959782 H\n0.333729 0.018098 0.459782 H\n0.666271 0.518098 0.040218 H\n0.833729 0.481902 0.540218 H\n0.833729 0.018098 0.040218 H\n0.666271 0.981902 0.540218 H\n0.333729 0.481902 0.959782 H\n0.166271 0.518098 0.459782 H\n0.004454 0.777054 0.179345 C\n0.495546 0.222946 0.679345 C\n0.504454 0.722946 0.820655 C\n0.995546 0.277054 0.320655 C\n0.995546 0.222946 0.820655 C\n0.504454 0.777054 0.320655 C\n0.495546 0.277054 0.179345 C\n0.004454 0.722946 0.679345 C\n0.016791 0.729623 0.116222 C\n0.483209 0.270377 0.616222 C\n0.516791 0.770377 0.883778 C\n0.983209 0.229623 0.383778 C\n0.983209 0.270377 0.883778 C\n0.516791 0.729623 0.383778 C\n0.483209 0.229623 0.116222 C\n0.016791 0.770377 0.616222 C\n0.485224 0.967078 0.977409 C\n0.014776 0.032922 0.477409 C\n0.985224 0.532922 0.022591 C\n0.514776 0.467078 0.522591 C\n0.514776 0.032922 0.022591 C\n0.985224 0.967078 0.522591 C\n0.014776 0.467078 0.977409 C\n0.485224 0.532922 0.477409 C\n0.474823 0.839559 0.914184 C\n0.025177 0.160441 0.414184 C\n0.974823 0.660441 0.085816 C\n0.525177 0.339559 0.585816 C\n0.525177 0.160441 0.085816 C\n0.974823 0.839559 0.585816 C\n0.025177 0.339559 0.914184 C\n0.474823 0.660441 0.414184 C\n0.067974 0.836000 0.214075 C\n0.432026 0.164000 0.714075 C\n0.567974 0.664000 0.785925 C\n0.932026 0.336000 0.285925 C\n0.932026 0.164000 0.785925 C\n0.567974 0.836000 0.285925 C\n0.432026 0.336000 0.214075 C\n0.067974 0.664000 0.714075 C\n0.521327 0.889036 0.972406 C\n0.978673 0.110964 0.472406 C\n0.021327 0.610964 0.027594 C\n0.478673 0.389036 0.527594 C\n0.478673 0.110964 0.027594 C\n0.021327 0.889036 0.527594 C\n0.978673 0.389036 0.972406 C\n0.521327 0.610964 0.472406 C\n0.187162 0.940145 0.918522 N\n0.312838 0.059855 0.418522 N\n0.687162 0.559855 0.081478 N\n0.812838 0.440145 0.581478 N\n0.812838 0.059855 0.081478 N\n0.687162 0.940145 0.581478 N\n0.312838 0.440145 0.918522 N\n0.187162 0.559855 0.418522 N\n0.849599 0.968032 0.909430 Cl\n0.650401 0.031968 0.409430 Cl\n0.349599 0.531968 0.090570 Cl\n0.150401 0.468032 0.590570 Cl\n0.150401 0.031968 0.090570 Cl\n0.349599 0.968032 0.590570 Cl\n0.650401 0.468032 0.909430 Cl\n0.849599 0.531968 0.409430 Cl\n0.004424 0.777292 0.885963 Cl\n0.495576 0.222708 0.385963 Cl\n0.504424 0.722708 0.114037 Cl\n0.995576 0.277292 0.614037 Cl\n0.995576 0.222708 0.114037 Cl\n0.504424 0.777292 0.614037 Cl\n0.495576 0.277292 0.885963 Cl\n0.004424 0.722708 0.385963 Cl\n0.062686 0.932157 0.748673 Cl\n0.437314 0.067843 0.248673 Cl\n0.562686 0.567843 0.251327 Cl\n0.937314 0.432157 0.751327 Cl\n0.937314 0.067843 0.251327 Cl\n0.562686 0.932157 0.751327 Cl\n0.437314 0.432157 0.748673 Cl\n0.062686 0.567843 0.248673 Cl\n",
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{
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{
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{
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],
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"density_atomic": 0.04460308265609876,
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"volume_molar": 13.501624554590217,
"formula_full": "Nb2 Sn2 Sb2",
"formula_reduced": "NbSnSb",
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{
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],
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"formula_full": "Eu1 Si2 Ir2",
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{
"id": "mp-1208903",
"created_at": "2022-09-04T14:43:23.802770Z",
"structure_string": "Sm2 Fe1 As2 O1\n1.0\n3.261757 0.000000 0.000000\n0.000000 3.261757 0.000000\n0.000000 0.000000 15.162618\nSm Fe As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.636946 Sm\n0.500000 0.500000 0.363053 Sm\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.162680 As\n0.500000 0.500000 0.837320 As\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"volume": 161.31598335781024,
"volume_molar": 16.191125976975847,
"formula_full": "Sm2 Fe1 As2 O1",
"formula_reduced": "Sm2FeAs2O",
"formula_anonymous": "ABC2D2",
"energy": -33.28912317,
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"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -30.34612317,
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"updated_at": "2021-11-28T01:36:16.945000Z",
"spacegroup": 123
}
]
}