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{
"id": "mp-1245135",
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"structure_string": "Ti39 O65\n1.0\n11.469602 -0.044877 0.302907\n-0.039638 10.683087 -0.298029\n0.327287 -0.300628 10.053196\nTi O\n39 65\ndirect\n0.646138 0.600038 0.365405 Ti\n0.464076 0.632096 0.615851 Ti\n0.611389 0.809621 0.923935 Ti\n0.660132 0.132178 0.690198 Ti\n0.951236 0.555078 0.200225 Ti\n0.048979 0.685763 0.851113 Ti\n0.491535 0.324146 0.187839 Ti\n0.671444 0.135207 0.984352 Ti\n0.605322 0.848577 0.579801 Ti\n0.107643 0.245585 0.938453 Ti\n0.841628 0.363948 0.418508 Ti\n0.952479 0.222801 0.587616 Ti\n0.272765 0.775732 0.611677 Ti\n0.845851 0.931214 0.952465 Ti\n0.839188 0.780487 0.392482 Ti\n0.057725 0.448343 0.555194 Ti\n0.493995 0.118745 0.463815 Ti\n0.621923 0.445194 0.894117 Ti\n0.695297 0.599379 0.654057 Ti\n0.092920 0.797741 0.409120 Ti\n0.825230 0.897503 0.676254 Ti\n0.457324 0.799934 0.357555 Ti\n0.149558 0.033480 0.145873 Ti\n0.256621 0.266829 0.416768 Ti\n0.782632 0.064558 0.448876 Ti\n0.773768 0.637163 0.048485 Ti\n0.239814 0.512326 0.068930 Ti\n0.849736 0.367106 0.864753 Ti\n0.126486 0.976715 0.900212 Ti\n0.674609 0.929399 0.216927 Ti\n0.312168 0.564108 0.393109 Ti\n0.450777 0.365317 0.642574 Ti\n0.302869 0.758338 0.916937 Ti\n0.475699 0.616535 0.139506 Ti\n0.260870 0.007882 0.386853 Ti\n0.410070 0.017423 0.017550 Ti\n0.050603 0.970027 0.660136 Ti\n0.886845 0.214810 0.150862 Ti\n0.380298 0.245901 0.935735 Ti\n0.913391 0.047869 0.590071 O\n0.166511 0.638995 0.953528 O\n0.828017 0.930871 0.312340 O\n0.250958 0.901612 0.034693 O\n0.634722 0.068563 0.359271 O\n0.781034 0.232400 0.558996 O\n0.179992 0.823279 0.789884 O\n0.186005 0.926095 0.543887 O\n0.481561 0.616644 0.417419 O\n0.189516 0.674670 0.478746 O\n0.430963 0.816767 0.563697 O\n0.782731 0.054026 0.108771 O\n0.045233 0.186687 0.105547 O\n0.935490 0.636492 0.005273 O\n0.748984 0.820978 0.070395 O\n0.106943 0.516578 0.170975 O\n0.625987 0.246162 0.136418 O\n0.543853 0.491178 0.722082 O\n0.340805 0.703762 0.268759 O\n0.234774 0.359267 0.977535 O\n0.074988 0.115273 0.792446 O\n0.109314 0.264237 0.535879 O\n0.575645 0.987495 0.067390 O\n0.367649 0.476785 0.553207 O\n0.559029 0.245772 0.581118 O\n0.352004 0.476081 0.206937 O\n0.767441 0.797081 0.836664 O\n0.010479 0.951827 0.035636 O\n0.503565 0.119831 0.890350 O\n0.947613 0.364970 0.697754 O\n0.766691 0.504530 0.773428 O\n0.432929 0.279830 0.366058 O\n0.193038 0.435914 0.417525 O\n0.057162 0.582718 0.705767 O\n0.399062 0.191630 0.118452 O\n0.247355 0.110246 0.959347 O\n0.751498 0.032111 0.818911 O\n0.965244 0.832253 0.528362 O\n0.579184 0.502078 0.219061 O\n0.715678 0.492132 0.481005 O\n0.581512 0.731365 0.729631 O\n0.446955 0.857314 0.908073 O\n0.338882 0.675749 0.744441 O\n0.134254 0.916595 0.285447 O\n0.544750 0.019148 0.610418 O\n0.751689 0.461094 0.008994 O\n0.001006 0.367841 0.936874 O\n0.969629 0.872794 0.800888 O\n0.541620 0.774045 0.180812 O\n0.784101 0.641656 0.244269 O\n0.367944 0.624822 0.005929 O\n0.639772 0.803695 0.387315 O\n0.986235 0.708165 0.301976 O\n0.358719 0.289792 0.759458 O\n0.321269 0.136050 0.517313 O\n0.605589 0.632652 0.977401 O\n0.830219 0.223410 0.975811 O\n0.207661 0.152930 0.287998 O\n0.766163 0.740317 0.574896 O\n0.484558 0.386234 0.991182 O\n0.676166 0.280432 0.831767 O\n0.877003 0.387516 0.221719 O\n0.879476 0.186271 0.339454 O\n0.952210 0.495897 0.437170 O\n0.416793 0.975105 0.338807 O\n",
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"updated_at": "2021-11-28T01:34:57.799000Z",
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},
{
"id": "mp-1076888",
"created_at": "2022-09-04T14:40:55.444413Z",
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{
"id": "mp-1245337",
"created_at": "2022-09-04T14:41:04.302515Z",
"structure_string": "Si40 Ni16 N64\n1.0\n10.652337 0.000000 0.000000\n-0.000000 9.822873 0.000000\n0.000000 0.000000 13.601039\nSi Ni N\n40 16 64\ndirect\n0.390112 0.241073 0.833628 Si\n0.890112 0.258927 0.166372 Si\n0.609888 0.741073 0.666372 Si\n0.109888 0.758927 0.333628 Si\n0.609888 0.758927 0.166372 Si\n0.109888 0.741073 0.833628 Si\n0.390112 0.258927 0.333628 Si\n0.890112 0.241073 0.666372 Si\n0.151674 0.239425 0.715906 Si\n0.651674 0.260575 0.284094 Si\n0.848326 0.739425 0.784094 Si\n0.348326 0.760575 0.215906 Si\n0.848326 0.760575 0.284094 Si\n0.348326 0.739425 0.715906 Si\n0.151674 0.260575 0.215906 Si\n0.651674 0.239425 0.784094 Si\n0.254520 0.986797 0.826122 Si\n0.754520 0.513203 0.173878 Si\n0.745480 0.486797 0.673878 Si\n0.245480 0.013203 0.326122 Si\n0.745480 0.013203 0.173878 Si\n0.245480 0.486797 0.826122 Si\n0.254520 0.513203 0.326122 Si\n0.754520 0.986797 0.673878 Si\n0.976676 0.011842 0.799241 Si\n0.476676 0.488158 0.200759 Si\n0.023324 0.511842 0.700759 Si\n0.523324 0.988158 0.299241 Si\n0.023324 0.988158 0.200759 Si\n0.523324 0.511842 0.799241 Si\n0.976676 0.488158 0.299241 Si\n0.476676 0.011842 0.700759 Si\n0.800139 0.136908 0.975521 Si\n0.300139 0.363092 0.024479 Si\n0.199861 0.636908 0.524479 Si\n0.699861 0.863092 0.475521 Si\n0.199861 0.863092 0.024479 Si\n0.699861 0.636908 0.975521 Si\n0.800139 0.363092 0.475521 Si\n0.300139 0.136908 0.524479 Si\n0.051276 0.153265 0.017499 Ni\n0.551276 0.346735 0.982501 Ni\n0.948724 0.653265 0.482501 Ni\n0.448724 0.846735 0.517499 Ni\n0.948724 0.846735 0.982501 Ni\n0.448724 0.653265 0.017499 Ni\n0.051276 0.346735 0.517499 Ni\n0.551276 0.153265 0.482501 Ni\n0.276541 0.112539 0.026895 Ni\n0.776541 0.387461 0.973105 Ni\n0.723459 0.612539 0.473105 Ni\n0.223459 0.887461 0.526895 Ni\n0.723459 0.887461 0.973105 Ni\n0.223459 0.612539 0.026895 Ni\n0.276541 0.387461 0.526895 Ni\n0.776541 0.112539 0.473105 Ni\n0.892985 0.258120 0.037703 N\n0.392985 0.241880 0.962297 N\n0.107015 0.758120 0.462297 N\n0.607015 0.741880 0.537703 N\n0.107015 0.741880 0.962297 N\n0.607015 0.758120 0.037703 N\n0.892985 0.241880 0.537703 N\n0.392985 0.258120 0.462297 N\n0.925555 0.047722 0.920219 N\n0.425555 0.452278 0.079781 N\n0.074445 0.547722 0.579781 N\n0.574445 0.952278 0.420219 N\n0.074445 0.952278 0.079781 N\n0.574445 0.547722 0.920219 N\n0.925555 0.452278 0.420219 N\n0.425555 0.047722 0.579781 N\n0.696798 0.241428 0.907979 N\n0.196798 0.258572 0.092021 N\n0.303202 0.741428 0.592021 N\n0.803202 0.758572 0.407979 N\n0.303202 0.758572 0.092021 N\n0.803202 0.741428 0.907979 N\n0.696798 0.258572 0.407979 N\n0.196798 0.241428 0.592021 N\n0.287477 0.964001 0.947889 N\n0.787477 0.535999 0.052111 N\n0.712523 0.464001 0.552111 N\n0.212523 0.035999 0.447889 N\n0.712523 0.035999 0.052111 N\n0.212523 0.464001 0.947889 N\n0.287477 0.535999 0.447889 N\n0.787477 0.964001 0.552111 N\n0.009290 0.154255 0.725386 N\n0.509290 0.345745 0.274614 N\n0.990710 0.654255 0.774614 N\n0.490710 0.845745 0.225386 N\n0.990710 0.845745 0.274614 N\n0.490710 0.654255 0.725386 N\n0.009290 0.345745 0.225386 N\n0.509290 0.154255 0.774614 N\n0.364036 0.907793 0.752498 N\n0.864036 0.592207 0.247502 N\n0.635964 0.407793 0.747502 N\n0.135964 0.092207 0.252498 N\n0.635964 0.092207 0.247502 N\n0.135964 0.407793 0.752498 N\n0.364036 0.592207 0.252498 N\n0.864036 0.907793 0.747502 N\n0.254675 0.159126 0.794267 N\n0.754675 0.340874 0.205733 N\n0.745325 0.659126 0.705733 N\n0.245325 0.840874 0.294267 N\n0.745325 0.840874 0.205733 N\n0.245325 0.659126 0.794267 N\n0.254675 0.340874 0.294267 N\n0.754675 0.159126 0.705733 N\n0.111356 0.912650 0.800226 N\n0.611356 0.587350 0.199774 N\n0.888644 0.412650 0.699774 N\n0.388644 0.087350 0.300226 N\n0.888644 0.087350 0.199774 N\n0.388644 0.412650 0.800226 N\n0.111356 0.587350 0.300226 N\n0.611356 0.912650 0.699774 N\n",
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"volume": 1423.1658450362243,
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"formula_full": "Si40 Ni16 N64",
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},
{
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"energy_uncorrected": -914.50989872,
"band_gap": 0.0144000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0870544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.406000Z",
"spacegroup": 1
}
]
}