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{
"id": "mp-1104144",
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"structure_string": "Li4 Sm4 Ge6\n1.0\n2.198123 -9.298287 0.000000\n2.198123 9.298287 0.000000\n0.000000 0.000000 6.924205\nLi Sm Ge\n4 4 6\ndirect\n0.808758 0.191242 0.436910 Li\n0.191242 0.808758 0.563090 Li\n0.808758 0.191242 0.063090 Li\n0.191242 0.808758 0.936910 Li\n0.552137 0.447863 0.750000 Sm\n0.447863 0.552137 0.250000 Sm\n0.343089 0.656911 0.750000 Sm\n0.656911 0.343089 0.250000 Sm\n0.937716 0.062284 0.932933 Ge\n0.062284 0.937716 0.067067 Ge\n0.937716 0.062284 0.567067 Ge\n0.062284 0.937716 0.432933 Ge\n0.720358 0.279642 0.750000 Ge\n0.279642 0.720358 0.250000 Ge\n",
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{
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"formula_full": "Eu4 Zn4 P6",
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"spacegroup": 12
},
{
"id": "mp-1104146",
"created_at": "2022-09-04T14:46:07.599809Z",
"structure_string": "Er1 Al8 Cr4\n1.0\n0.000000 0.000000 5.062873\n-4.443619 4.443619 2.531437\n-4.443619 -4.443619 2.531437\nEr Al Cr\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.335294 0.664706 Al\n0.000000 0.664706 0.335294 Al\n0.664706 0.335294 0.335294 Al\n0.335294 0.664706 0.664706 Al\n0.500000 0.778137 0.221863 Al\n0.500000 0.221863 0.778137 Al\n0.721863 0.778137 0.778137 Al\n0.278137 0.221863 0.221863 Al\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n",
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"density": 4.909149350066964,
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"formula_full": "Er1 Al8 Cr4",
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{
"id": "mp-1104149",
"created_at": "2022-09-04T14:39:22.837029Z",
"structure_string": "K2 Pt2 N2 Cl6 O2\n1.0\n2.196690 -9.856661 0.000000\n2.196690 9.856661 0.000000\n0.000000 0.000000 8.306773\nK Pt N Cl O\n2 2 2 6 2\ndirect\n0.041869 0.958131 0.047690 K\n0.958131 0.041869 0.547690 K\n0.336811 0.663189 0.235974 Pt\n0.663189 0.336811 0.735974 Pt\n0.247171 0.752829 0.229619 N\n0.752829 0.247171 0.729619 N\n0.460042 0.539958 0.252212 Cl\n0.539958 0.460042 0.752212 Cl\n0.350238 0.649762 0.958559 Cl\n0.649762 0.350238 0.458559 Cl\n0.339306 0.660694 0.517040 Cl\n0.660694 0.339306 0.017040 Cl\n0.079780 0.920220 0.375406 O\n0.920220 0.079780 0.875406 O\n",
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"formula_full": "K2 Pt2 N2 Cl6 O2",
"formula_reduced": "KPtNCl3O",
"formula_anonymous": "ABCDE3",
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{
"id": "mp-1104150",
"created_at": "2022-09-04T14:40:28.573624Z",
"structure_string": "Tm10 Ru4\n1.0\n0.000000 6.240791 0.000000\n0.908451 0.000000 -7.184547\n-7.762983 -3.120396 0.000000\nTm Ru\n10 4\ndirect\n0.790918 0.084042 0.813352 Tm\n0.977566 0.415958 0.186648 Tm\n0.209082 0.915958 0.186648 Tm\n0.022434 0.584042 0.813352 Tm\n0.205598 0.184481 0.565035 Tm\n0.640563 0.315519 0.434965 Tm\n0.794402 0.815519 0.434965 Tm\n0.359437 0.684481 0.565035 Tm\n0.418182 0.250000 0.000000 Tm\n0.581818 0.750000 0.000000 Tm\n0.602783 0.423668 0.780395 Ru\n0.822387 0.076332 0.219605 Ru\n0.397217 0.576332 0.219605 Ru\n0.177613 0.923668 0.780395 Ru\n",
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"elements": [
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"density": 9.988027457546888,
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"formula_full": "Tm10 Ru4",
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"formula_anonymous": "A2B5",
"energy": -87.58131202,
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{
"id": "mp-1104152",
"created_at": "2022-09-04T14:46:37.230420Z",
"structure_string": "Tb4 Fe2 C8\n1.0\n0.000000 0.000000 5.049995\n3.746359 4.850430 2.524997\n-3.746359 4.850430 2.524997\nTb Fe C\n4 2 8\ndirect\n0.644365 0.197773 0.513498 Tb\n0.355635 0.802227 0.486502 Tb\n0.144365 0.513498 0.197773 Tb\n0.855635 0.486502 0.802227 Tb\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.872188 0.791570 0.464055 C\n0.127812 0.208430 0.535945 C\n0.372188 0.464055 0.791570 C\n0.627812 0.535945 0.208430 C\n0.922388 0.913332 0.241893 C\n0.077612 0.086668 0.758107 C\n0.422388 0.241893 0.913332 C\n0.577612 0.758107 0.086668 C\n",
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"elements": [
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],
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"formula_full": "Tb4 Fe2 C8",
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"spacegroup": 72
},
{
"id": "mp-1104155",
"created_at": "2022-09-04T14:45:11.516798Z",
"structure_string": "Y3 Ga8 Ag3\n1.0\n4.348866 0.000000 0.000000\n2.174433 -6.489204 4.807159\n2.174433 -6.489204 -4.807159\nY Ga Ag\n3 8 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.299794 0.700206 0.700206 Y\n0.700206 0.299794 0.299794 Y\n0.341231 0.289677 0.027861 Ga\n0.658769 0.710323 0.972139 Ga\n0.341231 0.027861 0.289677 Ga\n0.658769 0.972139 0.710323 Ga\n0.142354 0.577329 0.137964 Ga\n0.857646 0.422671 0.862036 Ga\n0.142354 0.137964 0.577329 Ga\n0.857646 0.862036 0.422671 Ga\n0.500000 0.309156 0.690844 Ag\n0.500000 0.690844 0.309156 Ag\n0.000000 0.500000 0.500000 Ag\n",
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],
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"density": 7.026599570850552,
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"formula_full": "Y3 Ga8 Ag3",
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"spacegroup": 71
},
{
"id": "mp-1104157",
"created_at": "2022-09-04T14:40:41.327637Z",
"structure_string": "Cu2 Ag1 Se2 O10\n1.0\n3.080622 4.671368 0.000000\n-3.080622 4.671368 0.000000\n0.000000 4.198894 7.046379\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.082398 0.082398 0.706545 Se\n0.917602 0.917602 0.293455 Se\n0.178550 0.178550 0.830727 O\n0.821450 0.821450 0.169273 O\n0.216704 0.216704 0.477146 O\n0.783296 0.783296 0.522854 O\n0.729104 0.187101 0.759909 O\n0.187101 0.729104 0.759909 O\n0.270896 0.812899 0.240091 O\n0.812899 0.270896 0.240091 O\n0.678076 0.678076 0.950895 O\n0.321924 0.321924 0.049105 O\n",
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"formula_full": "Cu2 Ag1 Se2 O10",
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{
"id": "mp-1104158",
"created_at": "2022-09-04T14:48:05.855255Z",
"structure_string": "Pr9 Rh6\n1.0\n6.213265 -4.473960 0.000000\n6.213265 4.473960 0.000000\n2.991718 0.000000 7.047737\nPr Rh\n9 6\ndirect\n0.000000 0.000000 0.000000 Pr\n0.796615 0.796615 0.796615 Pr\n0.203385 0.203385 0.203385 Pr\n0.165269 0.392971 0.664013 Pr\n0.664013 0.165269 0.392971 Pr\n0.392971 0.664013 0.165269 Pr\n0.834731 0.607029 0.335987 Pr\n0.335987 0.834731 0.607029 Pr\n0.607029 0.335987 0.834731 Pr\n0.956441 0.163392 0.589525 Rh\n0.589525 0.956441 0.163392 Rh\n0.163392 0.589525 0.956441 Rh\n0.043559 0.836608 0.410475 Rh\n0.410475 0.043559 0.836608 Rh\n0.836608 0.410475 0.043559 Rh\n",
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{
"id": "mp-1104159",
"created_at": "2022-09-04T14:43:13.586198Z",
"structure_string": "Sm10 Ru4\n1.0\n3.255571 8.076801 0.000000\n-3.255571 8.076801 0.000000\n0.000000 0.856341 7.319567\nSm Ru\n10 4\ndirect\n0.020754 0.792718 0.915712 Sm\n0.207282 0.979246 0.584288 Sm\n0.979246 0.207282 0.084288 Sm\n0.792718 0.020754 0.415712 Sm\n0.358434 0.207130 0.814242 Sm\n0.792870 0.641566 0.685758 Sm\n0.641566 0.792870 0.185758 Sm\n0.207130 0.358434 0.314242 Sm\n0.577401 0.422599 0.750000 Sm\n0.422599 0.577401 0.250000 Sm\n0.175847 0.603339 0.574356 Ru\n0.396661 0.824153 0.925644 Ru\n0.824153 0.396661 0.425644 Ru\n0.603339 0.175847 0.074356 Ru\n",
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{
"id": "mp-1104160",
"created_at": "2022-09-04T14:42:18.758289Z",
"structure_string": "Pr10 Ir4\n1.0\n3.380132 8.418677 0.000000\n-3.380132 8.418677 0.000000\n0.000000 0.890203 7.322303\nPr Ir\n10 4\ndirect\n0.018053 0.797107 0.919832 Pr\n0.202893 0.981947 0.580168 Pr\n0.981947 0.202893 0.080168 Pr\n0.797107 0.018053 0.419832 Pr\n0.349580 0.215193 0.815845 Pr\n0.784807 0.650420 0.684155 Pr\n0.650420 0.784807 0.184155 Pr\n0.215193 0.349580 0.315845 Pr\n0.567842 0.432158 0.750000 Pr\n0.432158 0.567842 0.250000 Pr\n0.179073 0.598442 0.573933 Ir\n0.401558 0.820927 0.926067 Ir\n0.820927 0.401558 0.426067 Ir\n0.598442 0.179073 0.073933 Ir\n",
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{
"id": "mp-1104161",
"created_at": "2022-09-04T14:40:54.285811Z",
"structure_string": "Dy3 Zn11\n1.0\n-2.219452 4.414093 6.471535\n2.219452 -4.414093 6.471535\n2.219452 4.414093 -6.471535\nDy Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Dy\n0.293780 0.293780 0.000000 Dy\n0.706220 0.706220 0.000000 Dy\n0.500000 0.000000 0.500000 Zn\n0.682048 0.500000 0.182048 Zn\n0.317952 0.500000 0.817952 Zn\n0.699455 0.340518 0.358937 Zn\n0.300545 0.659482 0.641063 Zn\n0.981582 0.340518 0.641063 Zn\n0.018418 0.659482 0.358937 Zn\n0.417973 0.137942 0.280031 Zn\n0.582027 0.862058 0.719969 Zn\n0.857911 0.137942 0.719969 Zn\n0.142089 0.862058 0.280031 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Dy",
"Zn"
],
"chemical_system": "Dy-Zn",
"density": 7.903172770195151,
"density_atomic": 0.0552043758485521,
"volume": 253.60308462516912,
"volume_molar": 10.908810519878289,
"formula_full": "Dy3 Zn11",
"formula_reduced": "Dy3Zn11",
"formula_anonymous": "A3B11",
"energy": -32.41997544,
"energy_per_atom": -2.3157125314285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.41997544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.494000Z",
"spacegroup": 71
}
]
}