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{
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"structure_string": "Zn35 Cu17\n1.0\n7.685582 0.000000 0.000000\n2.543089 7.255150 0.000000\n0.016346 0.008922 12.623700\nZn Cu\n35 17\ndirect\n0.215987 0.000119 0.999434 Zn\n0.716947 0.499427 0.500363 Zn\n0.499957 0.283966 0.500503 Zn\n0.002578 0.782416 0.997540 Zn\n0.894644 0.105284 0.889839 Zn\n0.395408 0.604953 0.390843 Zn\n0.394855 0.605240 0.609828 Zn\n0.895784 0.108378 0.108914 Zn\n0.344734 0.273329 0.999273 Zn\n0.844634 0.773603 0.500363 Zn\n0.486341 0.862406 0.861499 Zn\n0.986544 0.362433 0.362391 Zn\n0.986592 0.362139 0.638026 Zn\n0.481436 0.863221 0.137061 Zn\n0.226296 0.155513 0.500277 Zn\n0.725426 0.654019 0.997695 Zn\n0.637708 0.013493 0.638058 Zn\n0.141203 0.510635 0.137676 Zn\n0.138149 0.512945 0.861287 Zn\n0.636091 0.015669 0.364067 Zn\n0.962615 0.037548 0.689366 Zn\n0.462449 0.537984 0.189667 Zn\n0.827873 0.450408 0.823723 Zn\n0.327557 0.951050 0.324387 Zn\n0.548763 0.172486 0.823693 Zn\n0.053364 0.670192 0.326656 Zn\n0.462421 0.537472 0.810304 Zn\n0.964184 0.039663 0.311918 Zn\n0.048979 0.672507 0.675698 Zn\n0.546424 0.175720 0.175719 Zn\n0.327648 0.951311 0.675746 Zn\n0.827782 0.447611 0.175785 Zn\n0.820142 0.819914 0.179696 Zn\n0.640336 0.359308 0.999731 Zn\n0.140519 0.859502 0.500335 Zn\n0.678794 0.678713 0.678280 Cu\n0.178904 0.178371 0.178440 Cu\n0.178646 0.178900 0.821746 Cu\n0.678736 0.678397 0.321973 Cu\n0.356852 0.643394 0.000112 Cu\n0.856445 0.143427 0.500019 Cu\n0.820977 0.821413 0.821900 Cu\n0.321129 0.321256 0.321751 Cu\n0.321179 0.321243 0.678364 Cu\n0.655368 0.001342 0.000191 Cu\n0.155621 0.501106 0.500401 Cu\n0.998629 0.345259 0.999873 Cu\n0.498436 0.844585 0.499889 Cu\n0.672256 0.327715 0.672010 Cu\n0.170830 0.827670 0.172099 Cu\n0.172696 0.827500 0.827692 Cu\n0.672136 0.327844 0.327899 Cu\n",
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{
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"created_at": "2022-09-04T14:39:24.524977Z",
"structure_string": "Nd34 Au72\n1.0\n16.125134 0.000000 0.000000\n0.000000 16.125134 0.000000\n0.000000 0.000000 9.465407\nNd Au\n34 72\ndirect\n0.246651 0.500000 0.117113 Nd\n0.670205 0.829795 0.386759 Nd\n0.158802 0.000000 0.413041 Nd\n0.000000 0.500000 0.703776 Nd\n0.670205 0.170205 0.386759 Nd\n0.746651 0.000000 0.882887 Nd\n0.500000 0.658802 0.413041 Nd\n0.841198 0.000000 0.413041 Nd\n0.500000 0.753349 0.882887 Nd\n0.500000 0.000000 0.296224 Nd\n0.000000 0.500000 0.212732 Nd\n0.000000 0.746651 0.117113 Nd\n0.829795 0.670205 0.613241 Nd\n0.000000 0.253349 0.117113 Nd\n0.329795 0.170205 0.386759 Nd\n0.329795 0.829795 0.386759 Nd\n0.000000 0.000000 0.000000 Nd\n0.753349 0.500000 0.117113 Nd\n0.829795 0.329795 0.613241 Nd\n0.500000 0.246651 0.882887 Nd\n0.750000 0.750000 0.000000 Nd\n0.658802 0.500000 0.586959 Nd\n0.500000 0.341198 0.413041 Nd\n0.170205 0.670205 0.613241 Nd\n0.500000 0.500000 0.000000 Nd\n0.000000 0.158802 0.586959 Nd\n0.170205 0.329795 0.613241 Nd\n0.750000 0.250000 0.000000 Nd\n0.500000 0.000000 0.787268 Nd\n0.341198 0.500000 0.586959 Nd\n0.250000 0.750000 0.000000 Nd\n0.250000 0.250000 0.000000 Nd\n0.000000 0.841198 0.586959 Nd\n0.253349 0.000000 0.882887 Nd\n0.103695 0.396305 0.968595 Au\n0.799182 0.862271 0.632519 Au\n0.403844 0.338216 0.125776 Au\n0.096156 0.838216 0.874224 Au\n0.299182 0.637729 0.367481 Au\n0.308326 0.000000 0.225349 Au\n0.000000 0.691674 0.774651 Au\n0.000000 0.649062 0.464940 Au\n0.500000 0.808326 0.225349 Au\n0.838216 0.096156 0.125776 Au\n0.338216 0.596156 0.874224 Au\n0.200818 0.862271 0.632519 Au\n0.338216 0.403844 0.874224 Au\n0.403844 0.661784 0.125776 Au\n0.103695 0.603695 0.968595 Au\n0.088297 0.000000 0.710662 Au\n0.000000 0.350938 0.464940 Au\n0.596156 0.661784 0.125776 Au\n0.661784 0.403844 0.874224 Au\n0.661784 0.596156 0.874224 Au\n0.903844 0.838216 0.874224 Au\n0.000000 0.308326 0.774651 Au\n0.903844 0.161784 0.874224 Au\n0.911703 0.000000 0.710662 Au\n0.137729 0.200818 0.367481 Au\n0.896305 0.603695 0.968595 Au\n0.161784 0.903844 0.125776 Au\n0.862271 0.799182 0.367481 Au\n0.700818 0.637729 0.367481 Au\n0.596156 0.338216 0.125776 Au\n0.691674 0.000000 0.225349 Au\n0.500000 0.411703 0.710662 Au\n0.200818 0.137729 0.632519 Au\n0.838216 0.903844 0.125776 Au\n0.299182 0.362271 0.367481 Au\n0.500000 0.191674 0.225349 Au\n0.603695 0.103695 0.031405 Au\n0.637729 0.700818 0.632519 Au\n0.411703 0.500000 0.289338 Au\n0.637729 0.299182 0.632519 Au\n0.096156 0.161784 0.874224 Au\n0.799182 0.137729 0.632519 Au\n0.362795 0.137205 0.744193 Au\n0.808326 0.500000 0.774651 Au\n0.896305 0.396305 0.968595 Au\n0.000000 0.911703 0.289338 Au\n0.603695 0.896305 0.031405 Au\n0.500000 0.850938 0.535060 Au\n0.362795 0.862795 0.744193 Au\n0.350938 0.000000 0.535060 Au\n0.362271 0.700818 0.632519 Au\n0.149062 0.500000 0.464940 Au\n0.588297 0.500000 0.289338 Au\n0.862271 0.200818 0.367481 Au\n0.500000 0.588297 0.710662 Au\n0.850938 0.500000 0.464940 Au\n0.137205 0.637205 0.255807 Au\n0.649062 0.000000 0.535060 Au\n0.637205 0.862795 0.744193 Au\n0.396305 0.896305 0.031405 Au\n0.137729 0.799182 0.367481 Au\n0.862795 0.362795 0.255807 Au\n0.191674 0.500000 0.774651 Au\n0.161784 0.096156 0.125776 Au\n0.637205 0.137205 0.744193 Au\n0.000000 0.088297 0.289338 Au\n0.137205 0.362795 0.255807 Au\n0.362271 0.299182 0.632519 Au\n0.862795 0.637205 0.255807 Au\n0.396305 0.103695 0.031405 Au\n0.500000 0.149062 0.535060 Au\n0.700818 0.362271 0.367481 Au\n",
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{
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"structure_string": "Mg54 Ag17\n1.0\n-7.083616 7.120972 7.346265\n7.083616 -7.120972 7.346265\n7.083616 7.120972 -7.346265\nMg Ag\n54 17\ndirect\n0.393740 0.126575 0.520315 Mg\n0.606260 0.126575 0.732835 Mg\n0.393740 0.873425 0.267165 Mg\n0.606260 0.873425 0.479685 Mg\n0.108148 0.325017 0.433165 Mg\n0.891852 0.325017 0.216869 Mg\n0.108148 0.674983 0.783131 Mg\n0.891852 0.674983 0.566835 Mg\n0.084955 0.901537 0.183417 Mg\n0.915045 0.098463 0.816583 Mg\n0.281880 0.098463 0.183417 Mg\n0.718120 0.901537 0.816583 Mg\n0.924164 0.603247 0.320917 Mg\n0.075836 0.396753 0.679083 Mg\n0.717670 0.396753 0.320917 Mg\n0.282330 0.603247 0.679083 Mg\n0.831344 0.220380 0.389037 Mg\n0.615407 0.500000 0.115407 Mg\n0.384593 0.500000 0.884593 Mg\n0.418309 0.419920 0.621049 Mg\n0.581691 0.202740 0.001611 Mg\n0.201129 0.580080 0.998389 Mg\n0.798871 0.797260 0.378951 Mg\n0.581691 0.580080 0.378951 Mg\n0.418309 0.797260 0.998389 Mg\n0.798871 0.419920 0.001611 Mg\n0.201129 0.202740 0.621049 Mg\n0.707390 0.628292 0.693769 Mg\n0.292610 0.986379 0.920902 Mg\n0.065477 0.371708 0.079098 Mg\n0.934523 0.013621 0.306231 Mg\n0.292610 0.371708 0.306231 Mg\n0.707390 0.013621 0.079098 Mg\n0.934523 0.628292 0.920902 Mg\n0.065477 0.986379 0.693769 Mg\n0.467436 0.667388 0.562978 Mg\n0.532564 0.095542 0.199952 Mg\n0.895590 0.332612 0.800048 Mg\n0.104410 0.904458 0.437022 Mg\n0.532564 0.332612 0.437022 Mg\n0.467436 0.904458 0.800048 Mg\n0.104410 0.667388 0.199952 Mg\n0.895590 0.095542 0.562978 Mg\n0.000000 0.885972 0.885972 Mg\n0.000000 0.114028 0.114028 Mg\n0.354638 0.854638 0.500000 Mg\n0.645362 0.145362 0.500000 Mg\n0.664400 0.562244 0.897844 Mg\n0.335600 0.233443 0.897844 Mg\n0.335600 0.437756 0.102156 Mg\n0.664400 0.766557 0.102156 Mg\n0.831344 0.442307 0.610963 Mg\n0.168656 0.779620 0.610963 Mg\n0.168656 0.557693 0.389037 Mg\n0.207531 0.167903 0.375434 Ag\n0.792469 0.167903 0.960371 Ag\n0.207531 0.832097 0.039629 Ag\n0.792469 0.832097 0.624566 Ag\n0.877348 0.709878 0.167470 Ag\n0.122652 0.290122 0.832530 Ag\n0.457592 0.290122 0.167470 Ag\n0.542408 0.709878 0.832530 Ag\n0.666687 0.965859 0.299172 Ag\n0.333313 0.632486 0.299172 Ag\n0.333313 0.034141 0.700828 Ag\n0.666687 0.367514 0.700828 Ag\n0.168719 0.168719 0.000000 Ag\n0.831281 0.831281 0.000000 Ag\n0.500000 0.689110 0.189110 Ag\n0.500000 0.310890 0.810890 Ag\n0.000000 0.500000 0.500000 Ag\n",
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"elements": [
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],
"chemical_system": "Ag-Mg",
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"volume_molar": 12.572262025579255,
"formula_full": "Mg54 Ag17",
"formula_reduced": "Mg54Ag17",
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"energy": -138.90339515,
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"formation_energy": null,
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"energy_uncorrected": -138.90339515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2799781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.729000Z",
"spacegroup": 71
},
{
"id": "mp-1207654",
"created_at": "2022-09-04T14:39:36.829507Z",
"structure_string": "Zr54 Os17\n1.0\n-7.042714 7.136642 7.394174\n7.042714 -7.136642 7.394174\n7.042714 7.136642 -7.394174\nZr Os\n54 17\ndirect\n0.292070 0.487739 0.421168 Zr\n0.707930 0.512261 0.578832 Zr\n0.066572 0.870903 0.578832 Zr\n0.933428 0.512261 0.804331 Zr\n0.933428 0.129097 0.421168 Zr\n0.066572 0.487739 0.195669 Zr\n0.707930 0.129097 0.195669 Zr\n0.292070 0.870903 0.804331 Zr\n0.107996 0.180096 0.288092 Zr\n0.892004 0.819904 0.711908 Zr\n0.107996 0.819904 0.927900 Zr\n0.892004 0.180096 0.072100 Zr\n0.169963 0.279793 0.109830 Zr\n0.830037 0.720207 0.890170 Zr\n0.169963 0.060132 0.890170 Zr\n0.830037 0.939868 0.109830 Zr\n0.288318 0.101539 0.186779 Zr\n0.711682 0.898461 0.813221 Zr\n0.914760 0.101539 0.813221 Zr\n0.085240 0.898461 0.186779 Zr\n0.355731 0.355731 0.000000 Zr\n0.644269 0.644269 0.000000 Zr\n0.334925 0.734620 0.399695 Zr\n0.665075 0.265380 0.600305 Zr\n0.334925 0.935230 0.600305 Zr\n0.665075 0.064770 0.399695 Zr\n0.391185 0.000000 0.391185 Zr\n0.608815 0.000000 0.608815 Zr\n0.000000 0.390396 0.390396 Zr\n0.000000 0.609604 0.609604 Zr\n0.423644 0.298973 0.507295 Zr\n0.576356 0.701027 0.492705 Zr\n0.791678 0.916349 0.492705 Zr\n0.208322 0.701027 0.124671 Zr\n0.208322 0.083651 0.507295 Zr\n0.791678 0.298973 0.875329 Zr\n0.576356 0.083651 0.875329 Zr\n0.423644 0.916349 0.124671 Zr\n0.468203 0.403645 0.299951 Zr\n0.531797 0.596355 0.700049 Zr\n0.103694 0.168252 0.700049 Zr\n0.896306 0.596355 0.064558 Zr\n0.896306 0.831748 0.299951 Zr\n0.103694 0.403645 0.935442 Zr\n0.531797 0.831748 0.935442 Zr\n0.468203 0.168252 0.064558 Zr\n0.725293 0.405499 0.319793 Zr\n0.274707 0.594501 0.680207 Zr\n0.085706 0.405499 0.680207 Zr\n0.914294 0.594501 0.319793 Zr\n0.391372 0.373921 0.765293 Zr\n0.608628 0.626079 0.234707 Zr\n0.391372 0.626079 0.017451 Zr\n0.608628 0.373921 0.982549 Zr\n0.549841 0.217206 0.332636 Os\n0.450159 0.782794 0.667364 Os\n0.884570 0.217206 0.667364 Os\n0.115430 0.782794 0.332636 Os\n0.164997 0.664997 0.500000 Os\n0.835003 0.335003 0.500000 Os\n0.213204 0.327131 0.540334 Os\n0.786796 0.672869 0.459666 Os\n0.213204 0.672869 0.886073 Os\n0.786796 0.327131 0.113927 Os\n0.337233 0.539152 0.201919 Os\n0.662767 0.460848 0.798081 Os\n0.337233 0.135314 0.798081 Os\n0.662767 0.864686 0.201919 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.192398 0.692398 Os\n0.500000 0.807602 0.307602 Os\n",
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],
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"density": 9.114984913738754,
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"volume": 1486.5640343811058,
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"formula_full": "Zr54 Os17",
"formula_reduced": "Zr54Os17",
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"energy": -670.44483802,
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"updated_at": "2021-11-28T01:34:30.026000Z",
"spacegroup": 71
}
]
}