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{
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{
"id": "mp-1104761",
"created_at": "2022-09-04T14:45:30.846409Z",
"structure_string": "Na3 Np1 O10\n1.0\n5.428568 0.000000 0.000000\n0.020525 5.974194 0.000000\n2.096590 2.228747 6.832040\nNa Np O\n3 1 10\ndirect\n0.500000 0.500000 0.000000 Na\n0.706626 0.155763 0.647086 Na\n0.293374 0.844237 0.352914 Na\n0.000000 0.000000 0.000000 Np\n0.279696 0.023344 0.763840 O\n0.720304 0.976656 0.236160 O\n0.207359 0.158907 0.110193 O\n0.792641 0.841093 0.889807 O\n0.860619 0.283643 0.869551 O\n0.139381 0.716357 0.130449 O\n0.290314 0.319129 0.440998 O\n0.709686 0.680871 0.559002 O\n0.525843 0.365325 0.352050 O\n0.474157 0.634675 0.647950 O\n",
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"spacegroup": 2
},
{
"id": "mp-1208343",
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"structure_string": "Ta6 Be15 Ni8\n1.0\n0.000000 5.339782 5.339782\n5.339782 0.000000 5.339782\n5.339782 5.339782 0.000000\nTa Be Ni\n6 15 8\ndirect\n0.703951 0.296049 0.296049 Ta\n0.296049 0.703951 0.703951 Ta\n0.296049 0.703951 0.296049 Ta\n0.703951 0.296049 0.703951 Ta\n0.296049 0.296049 0.703951 Ta\n0.703951 0.703951 0.296049 Ta\n0.326886 0.326886 0.326886 Be\n0.673114 0.673114 0.673114 Be\n0.326886 0.326886 0.019341 Be\n0.326886 0.019341 0.326886 Be\n0.673114 0.673114 0.980659 Be\n0.673114 0.980659 0.673114 Be\n0.019341 0.326886 0.326886 Be\n0.980659 0.673114 0.673114 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.000000 0.500000 Be\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Be\n0.122694 0.122694 0.122694 Ni\n0.877306 0.877307 0.877306 Ni\n0.122694 0.122694 0.631919 Ni\n0.122694 0.631919 0.122693 Ni\n0.877306 0.877307 0.368081 Ni\n0.877306 0.368081 0.877306 Ni\n0.631919 0.122694 0.122694 Ni\n0.368081 0.877306 0.877306 Ni\n",
"nsites": 29,
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"elements": [
"Ta",
"Be",
"Ni"
],
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"density": 9.21812146155241,
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"volume_molar": 6.323441152697636,
"formula_full": "Ta6 Be15 Ni8",
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"formula_anonymous": "A6B8C15",
"energy": -185.32995072,
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"updated_at": "2021-11-28T01:37:05.612000Z",
"spacegroup": 225
},
{
"id": "mp-1518537",
"created_at": "2022-09-04T14:45:30.859315Z",
"structure_string": "Sr1 Eu1 Nb1 W1 O6\n1.0\n-0.000000 -4.123586 -4.123586\n4.123586 0.000000 -4.123586\n4.123586 -4.123586 -0.000000\nSr Eu Nb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 W\n0.756868 0.243132 0.243132 O\n0.243132 0.756868 0.756868 O\n0.756868 0.243132 0.756868 O\n0.243132 0.756868 0.243132 O\n0.756868 0.756868 0.243132 O\n0.243132 0.243132 0.756868 O\n",
"nsites": 10,
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"elements": [
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"W",
"O"
],
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"density": 7.250654080794206,
"density_atomic": 0.07130908024584623,
"volume": 140.23459516689675,
"volume_molar": 8.44512471516668,
"formula_full": "Sr1 Eu1 Nb1 W1 O6",
"formula_reduced": "SrEuNbWO6",
"formula_anonymous": "ABCDE6",
"energy": -93.18124501,
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"updated_at": "2021-11-28T01:37:00.653000Z",
"spacegroup": 216
},
{
"id": "mp-1370790",
"created_at": "2022-09-04T14:45:30.873271Z",
"structure_string": "V4 Cr4 O12\n1.0\n-5.097243 0.000000 0.000000\n2.547957 4.873778 0.000000\n-0.009004 -2.681351 -8.446245\nV Cr O\n4 4 12\ndirect\n0.722512 0.874741 0.572987 V\n0.524749 0.876571 0.173321 V\n0.025721 0.376571 0.677141 V\n0.276660 0.126248 0.426157 V\n0.226914 0.375796 0.076104 Cr\n0.975224 0.627516 0.323384 Cr\n0.476401 0.124997 0.827102 Cr\n0.773147 0.622174 0.924170 Cr\n0.775920 0.525988 0.724447 O\n0.276110 0.026334 0.223330 O\n0.821030 0.874067 0.374079 O\n0.677680 0.623957 0.124164 O\n0.223175 0.775036 0.973602 O\n0.723903 0.281407 0.471793 O\n0.275600 0.720292 0.525177 O\n0.778997 0.226056 0.025518 O\n0.325056 0.374397 0.877689 O\n0.178992 0.124797 0.627539 O\n0.721327 0.971893 0.775744 O\n0.220882 0.471163 0.276550 O\n",
"nsites": 20,
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"elements": [
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"Cr",
"O"
],
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"density": 4.7778949139992335,
"density_atomic": 0.0953158750890606,
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"formula_full": "V4 Cr4 O12",
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"updated_at": "2021-11-28T01:37:02.659000Z",
"spacegroup": 1
},
{
"id": "mp-1096521",
"created_at": "2022-09-04T14:45:31.086424Z",
"structure_string": "Al2 Fe1 Cu1\n1.0\n-5.021100 5.127251 7.246727\n5.021100 -5.127251 7.246727\n5.021100 5.127251 -7.246727\nAl Fe Cu\n2 1 1\ndirect\n0.000000 0.249962 0.249962 Al\n0.000000 0.750038 0.750038 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
"Al",
"Fe",
"Cu"
],
"chemical_system": "Al-Cu-Fe",
"density": 0.38574278928761,
"density_atomic": 0.00536012169443866,
"volume": 746.2517136784711,
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"formula_full": "Al2 Fe1 Cu1",
"formula_reduced": "Al2FeCu",
"formula_anonymous": "ABC2",
"energy": -11.82454944,
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"updated_at": "2021-11-28T01:37:06.077000Z",
"spacegroup": 71
},
{
"id": "mp-30149",
"created_at": "2022-09-04T14:45:30.796883Z",
"structure_string": "K24 Tl8 Sb12\n1.0\n8.685794 5.065862 0.000000\n-8.685794 5.065862 0.000000\n0.000000 4.871792 19.442953\nK Tl Sb\n24 8 12\ndirect\n0.485529 0.336266 0.945805 K\n0.663734 0.514471 0.554195 K\n0.514471 0.663734 0.054195 K\n0.336266 0.485529 0.445805 K\n0.216727 0.672049 0.946415 K\n0.327951 0.783273 0.553585 K\n0.783273 0.327951 0.053585 K\n0.672049 0.216727 0.446415 K\n0.587706 0.075693 0.822404 K\n0.924307 0.412294 0.677596 K\n0.412294 0.924307 0.177596 K\n0.075693 0.587706 0.322404 K\n0.243613 0.413057 0.822489 K\n0.586943 0.756387 0.677511 K\n0.756387 0.586943 0.177511 K\n0.413057 0.243613 0.322489 K\n0.125434 0.938081 0.054318 K\n0.061919 0.874566 0.445682 K\n0.874566 0.061919 0.945682 K\n0.938081 0.125434 0.554318 K\n0.976388 0.023612 0.750000 K\n0.023612 0.976388 0.250000 K\n0.200134 0.799866 0.750000 K\n0.799866 0.200134 0.250000 K\n0.875275 0.705380 0.929205 Tl\n0.294620 0.124725 0.570795 Tl\n0.124725 0.294620 0.070795 Tl\n0.705380 0.875275 0.429205 Tl\n0.732145 0.561016 0.772271 Tl\n0.438984 0.267855 0.727729 Tl\n0.267855 0.438984 0.227729 Tl\n0.561016 0.732145 0.272271 Tl\n0.604900 0.727520 0.861917 Sb\n0.272480 0.395100 0.638083 Sb\n0.395100 0.272480 0.138083 Sb\n0.727520 0.604900 0.361917 Sb\n0.967161 0.789690 0.630552 Sb\n0.210310 0.032839 0.869448 Sb\n0.032839 0.210310 0.369448 Sb\n0.789690 0.967161 0.130552 Sb\n0.887170 0.428356 0.864918 Sb\n0.571644 0.112830 0.635082 Sb\n0.112830 0.571644 0.135082 Sb\n0.428356 0.887170 0.364918 Sb\n",
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"Tl",
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],
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"volume": 1711.0200628663733,
"volume_molar": 23.418190140375795,
"formula_full": "K24 Tl8 Sb12",
"formula_reduced": "K6Tl2Sb3",
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"spacegroup": 15
},
{
"id": "mp-1212343",
"created_at": "2022-09-04T14:45:30.809591Z",
"structure_string": "Li66 Cu63 Si42\n1.0\n0.000000 0.000000 -13.572671\n-7.014121 -12.148813 -0.000000\n-7.014121 12.148813 0.000000\nLi Cu Si\n66 63 42\ndirect\n0.187105 0.850764 0.960287 Li\n0.853772 0.109524 0.149236 Li\n0.520438 0.039713 0.890476 Li\n0.256628 0.516324 0.626438 Li\n0.923295 0.110114 0.483676 Li\n0.589961 0.373562 0.889886 Li\n0.108057 0.702591 0.738335 Li\n0.774724 0.035745 0.297409 Li\n0.441390 0.261665 0.964255 Li\n0.374306 0.915131 0.961704 Li\n0.040973 0.046573 0.084869 Li\n0.707639 0.038296 0.953427 Li\n0.824748 0.595989 0.075124 Li\n0.491415 0.479134 0.404011 Li\n0.158081 0.924876 0.520866 Li\n0.830024 0.252480 0.402658 Li\n0.496691 0.150179 0.747520 Li\n0.163357 0.597342 0.849821 Li\n0.104509 0.924582 0.187328 Li\n0.771176 0.262746 0.075418 Li\n0.437842 0.812672 0.737254 Li\n0.504043 0.842021 0.077595 Li\n0.170710 0.235574 0.157979 Li\n0.837376 0.922405 0.764426 Li\n0.891743 0.382944 0.629173 Li\n0.558410 0.246229 0.617056 Li\n0.225076 0.370827 0.753771 Li\n0.762738 0.567452 0.739164 Li\n0.429405 0.171712 0.432548 Li\n0.096071 0.260836 0.828288 Li\n0.491558 0.919555 0.629978 Li\n0.158225 0.710424 0.080445 Li\n0.824891 0.370022 0.289576 Li\n0.440620 0.919918 0.300732 Li\n0.107287 0.380813 0.080082 Li\n0.773953 0.699268 0.619187 Li\n0.761823 0.902837 0.415185 Li\n0.428490 0.512348 0.097163 Li\n0.095156 0.584815 0.487652 Li\n0.437120 0.570941 0.623755 Li\n0.103787 0.052815 0.429059 Li\n0.770453 0.376245 0.947185 Li\n0.826018 0.718123 0.960520 Li\n0.492685 0.242398 0.281877 Li\n0.159351 0.039480 0.757602 Li\n0.703545 0.906339 0.072493 Li\n0.370212 0.166155 0.093661 Li\n0.036878 0.927507 0.833845 Li\n0.562414 0.836218 0.408457 Li\n0.229081 0.572239 0.163782 Li\n0.895747 0.591543 0.427761 Li\n0.490124 0.605063 0.969104 Li\n0.156791 0.364042 0.394937 Li\n0.823457 0.030896 0.635958 Li\n0.561781 0.499891 0.736994 Li\n0.228448 0.237103 0.500109 Li\n0.895114 0.263006 0.762897 Li\n0.742857 0.181960 0.560327 Li\n0.409524 0.378368 0.818040 Li\n0.076190 0.439673 0.621632 Li\n0.891789 0.721629 0.303436 Li\n0.558456 0.581807 0.278371 Li\n0.225122 0.696564 0.418193 Li\n0.745900 0.518065 0.220535 Li\n0.412567 0.702470 0.481935 Li\n0.079233 0.779465 0.297530 Li\n0.946728 0.925167 0.306870 Cu\n0.613395 0.381702 0.074833 Cu\n0.280061 0.693130 0.618298 Cu\n0.745375 0.814536 0.855045 Cu\n0.412042 0.040509 0.185464 Cu\n0.078708 0.144955 0.959491 Cu\n0.856125 0.477198 0.846454 Cu\n0.522792 0.369256 0.522802 Cu\n0.189458 0.153546 0.630744 Cu\n0.804527 0.471533 0.511006 Cu\n0.471194 0.039474 0.528467 Cu\n0.137860 0.488994 0.960526 Cu\n0.655220 0.716150 0.071846 Cu\n0.321887 0.355696 0.283850 Cu\n0.988553 0.928154 0.644304 Cu\n0.699311 0.363679 0.575368 Cu\n0.365978 0.211689 0.636321 Cu\n0.032644 0.424632 0.788311 Cu\n0.573280 0.874287 0.911682 Cu\n0.239947 0.037395 0.125713 Cu\n0.906613 0.088318 0.962605 Cu\n0.992588 0.608846 0.964237 Cu\n0.659255 0.355391 0.391155 Cu\n0.325921 0.035763 0.644609 Cu\n0.950226 0.583870 0.623108 Cu\n0.616893 0.039238 0.416131 Cu\n0.283559 0.376892 0.960762 Cu\n0.350044 0.869249 0.458420 Cu\n0.016711 0.589171 0.130751 Cu\n0.683377 0.541580 0.410829 Cu\n0.691899 0.706554 0.247375 Cu\n0.358566 0.540821 0.293446 Cu\n0.025232 0.752625 0.459179 Cu\n0.922514 0.757623 0.799232 Cu\n0.589181 0.041610 0.242377 Cu\n0.255847 0.200768 0.958390 Cu\n0.466196 0.706537 0.848055 Cu\n0.132863 0.141518 0.293463 Cu\n0.799529 0.151945 0.858482 Cu\n0.986310 0.248124 0.281976 Cu\n0.652977 0.033851 0.751876 Cu\n0.319643 0.718024 0.966149 Cu\n0.520986 0.713521 0.194349 Cu\n0.187653 0.480828 0.286479 Cu\n0.854319 0.805651 0.519172 Cu\n0.679807 0.538735 0.905688 Cu\n0.346474 0.366953 0.461265 Cu\n0.013140 0.094312 0.633047 Cu\n0.798126 0.818938 0.191210 Cu\n0.464793 0.372272 0.181062 Cu\n0.131459 0.808790 0.627728 Cu\n0.352103 0.538319 0.794238 Cu\n0.018770 0.255918 0.461681 Cu\n0.685436 0.205762 0.744082 Cu\n0.678210 0.865333 0.575455 Cu\n0.344877 0.710122 0.134667 Cu\n0.011543 0.424545 0.289878 Cu\n0.609920 0.692382 0.725153 Cu\n0.276587 0.032771 0.307618 Cu\n0.943253 0.274847 0.967229 Cu\n0.915774 0.920161 0.124575 Cu\n0.582441 0.204414 0.079839 Cu\n0.249107 0.875425 0.795586 Cu\n0.632674 0.703059 0.901585 Si\n0.299341 0.198525 0.296941 Si\n0.966007 0.098415 0.801475 Si\n0.254854 0.847486 0.297291 Si\n0.921521 0.449805 0.152514 Si\n0.588187 0.702709 0.550195 Si\n0.960305 0.758075 0.136919 Si\n0.626972 0.378845 0.241925 Si\n0.293638 0.863081 0.621155 Si\n0.879672 0.922581 0.961599 Si\n0.546339 0.039017 0.077419 Si\n0.213005 0.038401 0.960983 Si\n0.631684 0.874600 0.244821 Si\n0.298351 0.370221 0.125400 Si\n0.965017 0.755179 0.629779 Si\n0.012273 0.784891 0.963625 Si\n0.678940 0.178733 0.215109 Si\n0.345606 0.036375 0.821267 Si\n0.635677 0.524865 0.568715 Si\n0.302344 0.043851 0.475135 Si\n0.969010 0.431285 0.956149 Si\n0.299991 0.706241 0.792857 Si\n0.966658 0.086616 0.293759 Si\n0.633324 0.207143 0.913384 Si\n0.306872 0.878714 0.131291 Si\n0.973539 0.252577 0.121286 Si\n0.640205 0.868709 0.747423 Si\n0.965849 0.921362 0.469185 Si\n0.632516 0.547823 0.078638 Si\n0.299182 0.530815 0.452177 Si\n0.713548 0.370680 0.744685 Si\n0.380215 0.374006 0.629320 Si\n0.046881 0.255315 0.625994 Si\n0.963952 0.583816 0.788650 Si\n0.630619 0.204835 0.416184 Si\n0.297285 0.211350 0.795165 Si\n0.717515 0.704495 0.409253 Si\n0.384182 0.704758 0.295505 Si\n0.050848 0.590747 0.295242 Si\n0.969615 0.418859 0.456165 Si\n0.636282 0.037306 0.581141 Si\n0.302948 0.543835 0.962694 Si\n",
"nsites": 171,
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"elements": [
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"Cu",
"Si"
],
"chemical_system": "Cu-Li-Si",
"density": 4.049581022556662,
"density_atomic": 0.07392540149819063,
"volume": 2313.1426618519663,
"volume_molar": 8.146240179902705,
"formula_full": "Li66 Cu63 Si42",
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