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{
"id": "mp-540786",
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{
"id": "mp-9387",
"created_at": "2022-09-04T14:41:17.748908Z",
"structure_string": "Tb2 Cu2 Ge2\n1.0\n2.134014 -3.696221 0.000000\n2.134014 3.696221 0.000000\n0.000000 0.000000 7.311934\nTb Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.752049 Tb\n0.000000 0.000000 0.252049 Tb\n0.666667 0.333333 0.529567 Cu\n0.333333 0.666667 0.029567 Cu\n0.333333 0.666667 0.478883 Ge\n0.666667 0.333333 0.978883 Ge\n",
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{
"id": "mp-795772",
"created_at": "2022-09-04T14:41:17.753626Z",
"structure_string": "Rb10 Co4 O8\n1.0\n7.061377 0.000000 0.000000\n-2.949610 -8.844277 0.000000\n0.056163 4.803350 -8.456350\nRb Co O\n10 4 8\ndirect\n0.096690 0.388196 0.221681 Rb\n0.903310 0.611804 0.778319 Rb\n0.097787 0.993334 0.222245 Rb\n0.902213 0.006666 0.777755 Rb\n0.270097 0.098140 0.975642 Rb\n0.729903 0.901860 0.024358 Rb\n0.618853 0.629375 0.363396 Rb\n0.381147 0.370625 0.636604 Rb\n0.378252 0.933957 0.615993 Rb\n0.621748 0.066043 0.384007 Rb\n0.400016 0.634685 0.973949 Co\n0.599984 0.365315 0.026051 Co\n0.015395 0.636433 0.577486 Co\n0.984605 0.363567 0.422514 Co\n0.310816 0.823052 0.954690 O\n0.689184 0.176948 0.045310 O\n0.770946 0.165889 0.520901 O\n0.229054 0.834111 0.479099 O\n0.682489 0.546311 0.047373 O\n0.317511 0.453689 0.952627 O\n0.189211 0.573717 0.314455 O\n0.810789 0.426283 0.685545 O\n",
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{
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{
"id": "mp-1185738",
"created_at": "2022-09-04T14:41:16.326726Z",
"structure_string": "Mg17 Al11 Au1\n1.0\n7.439851 -4.326403 3.026345\n-0.016989 8.634620 3.042395\n-7.388481 -4.277054 2.970226\nMg Al Au\n17 11 1\ndirect\n0.345093 0.002283 0.999999 Mg\n0.313159 0.605418 0.999999 Mg\n0.605842 0.318098 0.000000 Mg\n0.002310 0.342640 0.000000 Mg\n0.001594 0.999272 0.000001 Mg\n0.683597 0.682782 0.281856 Mg\n0.996791 0.602257 0.310328 Mg\n0.601939 0.000282 0.316787 Mg\n0.000016 0.998838 0.342680 Mg\n0.396736 0.711703 0.396305 Mg\n0.713872 0.397094 0.397433 Mg\n0.316439 0.999660 0.602567 Mg\n0.000432 0.315399 0.603696 Mg\n0.657336 0.656158 0.657319 Mg\n0.285152 0.683496 0.683214 Mg\n0.686461 0.291928 0.689671 Mg\n0.401741 0.400927 0.718144 Mg\n0.632580 0.814396 0.000000 Al\n0.366898 0.366517 0.181788 Al\n0.182521 0.817512 0.184762 Al\n0.818980 0.184600 0.186018 Al\n0.182439 0.365765 0.365471 Al\n0.366615 0.180212 0.365209 Al\n0.001406 0.815005 0.634792 Al\n0.816969 0.000293 0.634531 Al\n0.632962 0.998582 0.813982 Al\n0.997758 0.632751 0.815238 Al\n0.185110 0.184729 0.818211 Al\n0.807254 0.631406 0.000000 Au\n",
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{
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"structure_string": "Sc1 Zn1 Hg2\n1.0\n-5.591471 6.034579 8.616294\n5.591471 -6.034579 8.616294\n5.591471 6.034579 -8.616294\nSc Zn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256556 0.256556 Hg\n0.000000 0.743444 0.743444 Hg\n",
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{
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"structure_string": "La1 Ni5 H6\n1.0\n2.650680 -4.591113 0.000000\n2.650680 4.591113 0.000000\n0.000000 0.000000 4.201294\nLa Ni H\n1 5 6\ndirect\n0.666667 0.333333 0.896149 La\n0.646460 0.823230 0.499486 Ni\n0.176770 0.823230 0.499486 Ni\n0.176770 0.353540 0.499486 Ni\n0.000000 0.000000 0.049444 Ni\n0.333333 0.666667 0.016263 Ni\n0.674789 0.837395 0.886943 H\n0.162605 0.837395 0.886943 H\n0.162605 0.325211 0.886943 H\n0.312623 0.156312 0.361532 H\n0.843688 0.156312 0.361532 H\n0.843688 0.687377 0.361532 H\n",
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{
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{
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"id": "mp-1219854",
"created_at": "2022-09-04T14:41:16.349822Z",
"structure_string": "Pu1 U1 Sn6\n1.0\n4.615602 0.000000 0.000000\n0.000000 4.615602 0.000000\n0.000000 0.000000 9.246402\nPu U Sn\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Pu\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.248436 Sn\n0.500000 0.000000 0.751564 Sn\n0.000000 0.500000 0.248436 Sn\n0.000000 0.500000 0.751564 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pu",
"U",
"Sn"
],
"chemical_system": "Pu-Sn-U",
"density": 10.06767112375547,
"density_atomic": 0.04061257348766297,
"volume": 196.98333085023998,
"volume_molar": 14.828266821922444,
"formula_full": "Pu1 U1 Sn6",
"formula_reduced": "PuUSn6",
"formula_anonymous": "ABC6",
"energy": -49.61773244,
"energy_per_atom": -6.202216555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.61773244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2603396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.347000Z",
"spacegroup": 123
},
{
"id": "mp-862485",
"created_at": "2022-09-04T14:41:20.771396Z",
"structure_string": "Ga1 Cu1 Rh2\n1.0\n0.000000 3.005962 3.005962\n3.005962 0.000000 3.005962\n3.005962 3.005962 0.000000\nGa Cu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Rh"
],
"chemical_system": "Cu-Ga-Rh",
"density": 10.365036072951652,
"density_atomic": 0.07363419397825102,
"volume": 54.32258824183587,
"volume_molar": 8.178456820996415,
"formula_full": "Ga1 Cu1 Rh2",
"formula_reduced": "GaCuRh2",
"formula_anonymous": "ABC2",
"energy": -23.34806678,
"energy_per_atom": -5.837016695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.34806678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.120000Z",
"spacegroup": 225
}
]
}