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{
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{
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{
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{
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{
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"structure_string": "W34 O68\n1.0\n11.499779 -0.169075 0.281001\n-0.183978 11.717175 -0.030366\n0.308841 -0.016166 12.058984\nW O\n34 68\ndirect\n0.692222 0.924680 0.555777 W\n0.716041 0.058381 0.972142 W\n0.236177 0.732090 0.474566 W\n0.023949 0.689770 0.241840 W\n0.383305 0.162121 0.298649 W\n0.865423 0.961603 0.713057 W\n0.007298 0.077100 0.998723 W\n0.015088 0.306001 0.530403 W\n0.781036 0.804482 0.065624 W\n0.113108 0.046562 0.745681 W\n0.761708 0.475521 0.032715 W\n0.113775 0.961689 0.299621 W\n0.699903 0.181830 0.572843 W\n0.190427 0.295501 0.683687 W\n0.330622 0.561385 0.946719 W\n0.515255 0.395574 0.256856 W\n0.763425 0.250217 0.135147 W\n0.654125 0.272447 0.882773 W\n0.785384 0.456271 0.711297 W\n0.887583 0.694090 0.587710 W\n0.072486 0.515238 0.705898 W\n0.573171 0.870718 0.829955 W\n0.557386 0.966912 0.162966 W\n0.646046 0.495750 0.507543 W\n0.338442 0.533918 0.635760 W\n0.214021 0.468100 0.349782 W\n0.338174 0.007055 0.591083 W\n0.437586 0.681736 0.225370 W\n0.048851 0.206126 0.239495 W\n0.252513 0.766705 0.817170 W\n0.457713 0.191582 0.034467 W\n0.039639 0.673178 0.968082 W\n0.431616 0.307647 0.484420 W\n0.054714 0.417746 0.067221 W\n0.233178 0.923029 0.718952 O\n0.742947 0.433777 0.870751 O\n0.208242 0.101349 0.272792 O\n0.471003 0.482975 0.525033 O\n0.938602 0.394936 0.656868 O\n0.850215 0.158343 0.014870 O\n0.054818 0.432463 0.446898 O\n0.043606 0.705126 0.552979 O\n0.640347 0.527265 0.671349 O\n0.394705 0.631019 0.070353 O\n0.884812 0.203926 0.235055 O\n0.078827 0.587139 0.122527 O\n0.740052 0.660551 0.008231 O\n0.115789 0.377650 0.799811 O\n0.374738 0.727285 0.361294 O\n0.931031 0.746109 0.106746 O\n0.624071 0.480392 0.115246 O\n0.012114 0.969087 0.630413 O\n0.853700 0.223621 0.538773 O\n0.556797 0.109337 0.909775 O\n0.114147 0.835010 0.206731 O\n0.942429 0.507131 0.974659 O\n0.636842 0.270575 0.225269 O\n0.153313 0.647934 0.340322 O\n0.109002 0.650428 0.808495 O\n0.404369 0.065661 0.127023 O\n0.857269 0.794381 0.710778 O\n0.350783 0.350130 0.635654 O\n0.385166 0.127581 0.476868 O\n0.377405 0.531227 0.797377 O\n0.813352 0.553323 0.532337 O\n0.446375 0.830828 0.165631 O\n0.268360 0.136101 0.686654 O\n0.718131 0.973971 0.818905 O\n0.354431 0.864926 0.530402 O\n0.291832 0.306492 0.390660 O\n0.211148 0.452417 0.994040 O\n0.583652 0.666937 0.246950 O\n0.863530 0.948934 0.003866 O\n0.041319 0.049916 0.156653 O\n0.281088 0.691323 0.652809 O\n0.264837 0.560067 0.492484 O\n0.404357 0.286348 0.170610 O\n0.054518 0.211572 0.395760 O\n0.183353 0.889114 0.411353 O\n0.905041 0.658671 0.334141 O\n0.701264 0.282945 0.716525 O\n0.865374 0.394452 0.133632 O\n0.146154 0.067258 0.915692 O\n0.974344 0.976263 0.360189 O\n0.054123 0.235279 0.058386 O\n0.062648 0.184339 0.648567 O\n0.902463 0.595740 0.719446 O\n0.593205 0.067135 0.627903 O\n0.138995 0.820776 0.929773 O\n0.498580 0.326702 0.952816 O\n0.631060 0.469101 0.350192 O\n0.951661 0.065633 0.828202 O\n0.728896 0.046908 0.461301 O\n0.386244 0.515226 0.263699 O\n0.707132 0.868617 0.190408 O\n0.115088 0.364145 0.220896 O\n0.523189 0.057633 0.293913 O\n0.626163 0.893698 0.995755 O\n0.603751 0.839458 0.669539 O\n0.417093 0.830468 0.845149 O\n0.793259 0.791039 0.508874 O\n0.607344 0.307543 0.514151 O\n",
"nsites": 102,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "O-W",
"density": 7.505981127090898,
"density_atomic": 0.06282754755613779,
"volume": 1623.4916683459717,
"volume_molar": 9.585191519084978,
"formula_full": "W34 O68",
"formula_reduced": "WO2",
"formula_anonymous": "AB2",
"energy": -930.71688236,
"energy_per_atom": -9.124675317254901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -733.10888236,
"band_gap": 0.8961999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.658000Z",
"spacegroup": 1
},
{
"id": "mp-1094982",
"created_at": "2022-09-04T14:41:55.717272Z",
"structure_string": "Li1 Mg1\n1.0\n1.545754 -2.677325 0.000000\n1.545754 2.677325 0.000000\n0.000000 0.000000 5.103529\nLi Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2282915693390943,
"density_atomic": 0.04734650660844622,
"volume": 42.24176487908438,
"volume_molar": 12.719292702633524,
"formula_full": "Li1 Mg1",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -3.57000754,
"energy_per_atom": -1.78500377,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -3.57000754,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.174000Z",
"spacegroup": 187
}
]
}