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{
"id": "mp-1202284",
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"structure_string": "Dy8 Ge24 Pd4\n1.0\n4.067586 -4.112908 0.000000\n4.067586 4.112908 0.000000\n0.000000 0.000000 21.674389\nDy Ge Pd\n8 24 4\ndirect\n0.375744 0.873013 0.581217 Dy\n0.126987 0.624256 0.418783 Dy\n0.626987 0.124256 0.081217 Dy\n0.875744 0.373013 0.918783 Dy\n0.624256 0.126987 0.418783 Dy\n0.873013 0.375744 0.581217 Dy\n0.373013 0.875744 0.918783 Dy\n0.124256 0.626987 0.081217 Dy\n0.651072 0.096683 0.692855 Ge\n0.903317 0.348928 0.307145 Ge\n0.403317 0.848928 0.192855 Ge\n0.151072 0.596683 0.807145 Ge\n0.348928 0.903317 0.307145 Ge\n0.096683 0.651072 0.692855 Ge\n0.596683 0.151072 0.807145 Ge\n0.848928 0.403317 0.192855 Ge\n0.381340 0.381340 0.956544 Ge\n0.618660 0.618660 0.043456 Ge\n0.118660 0.118660 0.456544 Ge\n0.881340 0.881340 0.543456 Ge\n0.367497 0.367497 0.528205 Ge\n0.632503 0.632503 0.471795 Ge\n0.132503 0.132503 0.028205 Ge\n0.867497 0.867497 0.971795 Ge\n0.152381 0.152381 0.808055 Ge\n0.847619 0.847619 0.191945 Ge\n0.347619 0.347619 0.308055 Ge\n0.652381 0.652381 0.691945 Ge\n0.095085 0.095085 0.693053 Ge\n0.904915 0.904915 0.306947 Ge\n0.404915 0.404915 0.193053 Ge\n0.595085 0.595085 0.806947 Ge\n0.372711 0.372711 0.641695 Pd\n0.627289 0.627289 0.358305 Pd\n0.127289 0.127289 0.141695 Pd\n0.872711 0.872711 0.858305 Pd\n",
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{
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{
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"created_at": "2022-09-04T14:42:58.720202Z",
"structure_string": "Ce4 Zn8 Ru2\n1.0\n7.193594 0.000000 0.000000\n0.000000 7.193594 0.000000\n0.000000 0.000000 5.194491\nCe Zn Ru\n4 8 2\ndirect\n0.000000 0.500000 0.776090 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.223910 Ce\n0.500000 0.500000 0.000000 Ce\n0.185085 0.685085 0.289960 Zn\n0.814915 0.685085 0.289960 Zn\n0.814915 0.314915 0.289960 Zn\n0.314915 0.185085 0.710040 Zn\n0.185085 0.314915 0.289960 Zn\n0.685085 0.185085 0.710040 Zn\n0.685085 0.814915 0.710040 Zn\n0.314915 0.814915 0.710040 Zn\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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{
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"structure_string": "Eu14 Au6\n1.0\n5.414794 -9.378698 0.000000\n5.414794 9.378698 0.000000\n0.000000 0.000000 6.810955\nEu Au\n14 6\ndirect\n0.666667 0.333333 0.538497 Eu\n0.333333 0.666667 0.038497 Eu\n0.874619 0.749237 0.748378 Eu\n0.250763 0.125381 0.748378 Eu\n0.874619 0.125381 0.748378 Eu\n0.125381 0.250763 0.248378 Eu\n0.749237 0.874619 0.248378 Eu\n0.125381 0.874619 0.248378 Eu\n0.460133 0.920265 0.544212 Eu\n0.079735 0.539867 0.544212 Eu\n0.460133 0.539867 0.544212 Eu\n0.539867 0.079735 0.044212 Eu\n0.920265 0.460133 0.044212 Eu\n0.539867 0.460133 0.044212 Eu\n0.188894 0.377788 0.808728 Au\n0.622212 0.811106 0.808728 Au\n0.188894 0.811106 0.808728 Au\n0.811106 0.622212 0.308728 Au\n0.377788 0.188894 0.308728 Au\n0.811106 0.188894 0.308728 Au\n",
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{
"id": "mp-1218111",
"created_at": "2022-09-04T14:45:39.263582Z",
"structure_string": "Ta4 Fe5 Te12\n1.0\n3.654266 0.000000 0.000000\n0.000000 7.596920 0.000000\n0.000000 0.599194 19.082367\nTa Fe Te\n4 5 12\ndirect\n0.500000 0.180274 0.647336 Ta\n0.500000 0.680418 0.147844 Ta\n0.000000 0.316072 0.852038 Ta\n0.000000 0.818741 0.352045 Ta\n0.000000 0.067968 0.544084 Fe\n0.000000 0.568749 0.041837 Fe\n0.500000 0.431354 0.958632 Fe\n0.500000 0.931936 0.455747 Fe\n0.500000 0.756029 0.000248 Fe\n0.000000 0.396277 0.578202 Te\n0.000000 0.916982 0.083910 Te\n0.500000 0.101838 0.922493 Te\n0.500000 0.604043 0.421635 Te\n0.500000 0.848771 0.589077 Te\n0.500000 0.346853 0.092083 Te\n0.000000 0.655560 0.900664 Te\n0.000000 0.150489 0.410659 Te\n0.500000 0.460718 0.748560 Te\n0.500000 0.963749 0.249541 Te\n0.000000 0.037997 0.750470 Te\n0.000000 0.536133 0.250544 Te\n",
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"formula_full": "Ta4 Fe5 Te12",
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{
"id": "mp-1193872",
"created_at": "2022-09-04T14:44:58.340885Z",
"structure_string": "Pr12 Ge8 Ru8\n1.0\n5.808236 0.000000 0.000000\n0.000000 8.060076 0.000000\n0.000000 0.000000 13.755387\nPr Ge Ru\n12 8 8\ndirect\n0.147249 0.896684 0.598290 Pr\n0.852751 0.103316 0.098290 Pr\n0.147249 0.603316 0.401710 Pr\n0.852751 0.396684 0.901710 Pr\n0.852751 0.103316 0.401710 Pr\n0.147249 0.896684 0.901710 Pr\n0.852751 0.396684 0.598290 Pr\n0.147249 0.603316 0.098290 Pr\n0.368433 0.253026 0.750000 Pr\n0.631567 0.746974 0.250000 Pr\n0.368433 0.246974 0.250000 Pr\n0.631567 0.753026 0.750000 Pr\n0.857079 0.102563 0.750000 Ge\n0.142921 0.897437 0.250000 Ge\n0.857079 0.397437 0.250000 Ge\n0.142921 0.602563 0.750000 Ge\n0.385468 0.250000 0.500000 Ge\n0.614532 0.750000 0.000000 Ge\n0.614532 0.750000 0.500000 Ge\n0.385468 0.250000 0.000000 Ge\n0.642702 0.031107 0.589957 Ru\n0.357298 0.968893 0.089957 Ru\n0.642702 0.468893 0.410043 Ru\n0.357298 0.531107 0.910043 Ru\n0.357298 0.968893 0.410043 Ru\n0.642702 0.031107 0.910043 Ru\n0.357298 0.531107 0.589957 Ru\n0.642702 0.468893 0.089957 Ru\n",
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{
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{
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{
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{
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{
"id": "mp-1079342",
"created_at": "2022-09-04T14:39:13.836997Z",
"structure_string": "Ce3 Zn3 Ni3\n1.0\n3.541935 -6.134811 0.000000\n3.541935 6.134811 0.000000\n0.000000 0.000000 3.812306\nCe Zn Ni\n3 3 3\ndirect\n0.000000 0.415780 0.500000 Ce\n0.584220 0.584220 0.500000 Ce\n0.415780 0.000000 0.500000 Ce\n0.000000 0.761209 0.000000 Zn\n0.238791 0.238791 0.000000 Zn\n0.761209 0.000000 0.000000 Zn\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Ni"
],
"chemical_system": "Ce-Ni-Zn",
"density": 7.944633873804385,
"density_atomic": 0.054322905018629866,
"volume": 165.67597032805,
"volume_molar": 11.085822376278893,
"formula_full": "Ce3 Zn3 Ni3",
"formula_reduced": "CeZnNi",
"formula_anonymous": "ABC",
"energy": -42.56562037,
"energy_per_atom": -4.729513374444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.56562037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3414821,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.535000Z",
"spacegroup": 189
},
{
"id": "mp-1219237",
"created_at": "2022-09-04T14:41:49.455489Z",
"structure_string": "Si4 Mo1 W1\n1.0\n3.226499 0.000000 0.000000\n0.000000 3.226499 0.000000\n0.000000 0.000000 7.872817\nSi Mo W\n4 1 1\ndirect\n0.500000 0.500000 0.164616 Si\n0.000000 0.000000 0.665676 Si\n0.000000 0.000000 0.334324 Si\n0.500000 0.500000 0.835384 Si\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Si",
"Mo",
"W"
],
"chemical_system": "Mo-Si-W",
"density": 7.944692276920149,
"density_atomic": 0.0732079126440729,
"volume": 81.95835372565803,
"volume_molar": 8.226079043229717,
"formula_full": "Si4 Mo1 W1",
"formula_reduced": "Si4MoW",
"formula_anonymous": "ABC4",
"energy": -47.76637353,
"energy_per_atom": -7.961062255000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.05037353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.038000Z",
"spacegroup": 123
}
]
}