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{
"id": "mp-768848",
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"structure_string": "Tb4 W6 O24\n1.0\n5.767917 3.892475 0.000000\n-5.767917 3.892475 0.000000\n0.000000 3.858387 10.778730\nTb W O\n4 6 24\ndirect\n0.711173 0.958780 0.094113 Tb\n0.958780 0.711173 0.594113 Tb\n0.041220 0.288827 0.405887 Tb\n0.288827 0.041220 0.905887 Tb\n0.540747 0.754346 0.451837 W\n0.754346 0.540747 0.951837 W\n0.131879 0.868121 0.250000 W\n0.868121 0.131879 0.750000 W\n0.245654 0.459253 0.048163 W\n0.459253 0.245654 0.548163 W\n0.547728 0.906061 0.300648 O\n0.868364 0.789532 0.222316 O\n0.080510 0.660629 0.393182 O\n0.768855 0.332951 0.062836 O\n0.817031 0.921161 0.463500 O\n0.528032 0.606164 0.074629 O\n0.906061 0.547728 0.800648 O\n0.393835 0.471968 0.425371 O\n0.078839 0.182969 0.036500 O\n0.667049 0.231145 0.437164 O\n0.339371 0.919490 0.106818 O\n0.789532 0.868364 0.722316 O\n0.210468 0.131636 0.277684 O\n0.660629 0.080510 0.893182 O\n0.332951 0.768855 0.562836 O\n0.921161 0.817031 0.963500 O\n0.606164 0.528032 0.574629 O\n0.093939 0.452272 0.199352 O\n0.471968 0.393835 0.925371 O\n0.182969 0.078839 0.536500 O\n0.231145 0.667049 0.937164 O\n0.919490 0.339371 0.606818 O\n0.131636 0.210468 0.777684 O\n0.452272 0.093939 0.699352 O\n",
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"spacegroup": 15
},
{
"id": "mp-1029479",
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"Ca",
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],
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"formula_full": "Ca1 In2 N2",
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"updated_at": "2021-11-28T01:37:32.480000Z",
"spacegroup": 166
},
{
"id": "mp-1206477",
"created_at": "2022-09-04T14:46:19.390072Z",
"structure_string": "Hf6 Al2 Ni1\n1.0\n0.000000 0.000000 -3.292662\n-3.925817 -6.799714 0.000000\n-3.925817 6.799714 0.000000\nHf Al Ni\n6 2 1\ndirect\n0.500000 0.743468 0.743468 Hf\n0.500000 0.000000 0.256532 Hf\n0.500000 0.256532 0.000000 Hf\n0.000000 0.397710 0.397710 Hf\n0.000000 0.000000 0.602290 Hf\n0.000000 0.602290 0.000000 Hf\n0.500000 0.666667 0.333333 Al\n0.500000 0.333333 0.666667 Al\n0.000000 0.000000 0.000000 Ni\n",
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"formula_full": "Hf6 Al2 Ni1",
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"formula_anonymous": "AB2C6",
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},
{
"id": "mp-1250007",
"created_at": "2022-09-04T14:46:19.125556Z",
"structure_string": "Si8 Se16\n1.0\n6.849796 0.000000 -1.438401\n0.000000 17.532943 0.000000\n-0.250978 0.000000 6.350144\nSi Se\n8 16\ndirect\n0.117497 0.064679 0.119739 Si\n0.882503 0.564679 0.380261 Si\n0.882503 0.935321 0.880261 Si\n0.117497 0.435321 0.619739 Si\n0.350343 0.194773 0.346923 Si\n0.649657 0.694773 0.153077 Si\n0.649657 0.805227 0.653077 Si\n0.350343 0.305227 0.846923 Si\n0.014286 0.180729 0.224837 Se\n0.985714 0.680729 0.275163 Se\n0.985714 0.819271 0.775163 Se\n0.014286 0.319271 0.724837 Se\n0.476759 0.302072 0.220068 Se\n0.523241 0.802072 0.279932 Se\n0.523241 0.697928 0.779932 Se\n0.476759 0.197928 0.720068 Se\n0.453777 0.078521 0.247354 Se\n0.546223 0.578521 0.252646 Se\n0.546223 0.921479 0.752646 Se\n0.453777 0.421479 0.747354 Se\n0.003038 0.456443 0.252393 Se\n0.996962 0.956443 0.247607 Se\n0.996962 0.543557 0.747607 Se\n0.003038 0.043557 0.752393 Se\n",
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"elements": [
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"density": 3.267144379407381,
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"formula_full": "Si8 Se16",
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"spacegroup": 14
},
{
"id": "mp-1245108",
"created_at": "2022-09-04T14:46:19.126803Z",
"structure_string": "Fe100\n1.0\n10.405638 0.047555 -0.110238\n0.044125 10.706984 0.183230\n-0.107483 0.189424 10.453722\nFe\n100\ndirect\n0.567781 0.461286 0.603950 Fe\n0.821536 0.247467 0.372452 Fe\n0.852598 0.822227 0.738120 Fe\n0.169268 0.655136 0.960521 Fe\n0.784930 0.192604 0.583042 Fe\n0.701780 0.767452 0.121921 Fe\n0.389336 0.447863 0.737528 Fe\n0.005843 0.480840 0.776838 Fe\n0.970474 0.350322 0.544878 Fe\n0.035037 0.285871 0.961872 Fe\n0.213263 0.422299 0.896792 Fe\n0.146441 0.100203 0.085120 Fe\n0.905459 0.248661 0.767064 Fe\n0.033310 0.071997 0.873410 Fe\n0.127892 0.618850 0.239258 Fe\n0.410993 0.542599 0.946840 Fe\n0.416493 0.171781 0.483713 Fe\n0.088448 0.832294 0.827977 Fe\n0.805615 0.173946 0.959576 Fe\n0.567580 0.990300 0.217917 Fe\n0.596353 0.660055 0.505777 Fe\n0.389127 0.976653 0.617121 Fe\n0.276858 0.500190 0.120583 Fe\n0.500982 0.210051 0.277421 Fe\n0.186191 0.005161 0.475483 Fe\n0.645086 0.033834 0.873418 Fe\n0.387549 0.785466 0.483820 Fe\n0.603507 0.286860 0.477774 Fe\n0.822959 0.042891 0.761049 Fe\n0.907512 0.902240 0.200198 Fe\n0.934780 0.114367 0.148778 Fe\n0.332930 0.357608 0.296611 Fe\n0.042868 0.209335 0.352023 Fe\n0.446553 0.314061 0.908417 Fe\n0.247490 0.815110 0.310962 Fe\n0.737443 0.867605 0.333521 Fe\n0.372380 0.387024 0.506270 Fe\n0.874585 0.323121 0.125569 Fe\n0.687779 0.389853 0.249257 Fe\n0.965943 0.574161 0.469061 Fe\n0.025641 0.812735 0.397888 Fe\n0.245494 0.950157 0.957674 Fe\n0.420546 0.988258 0.385122 Fe\n0.572483 0.872629 0.728206 Fe\n0.006203 0.124577 0.595512 Fe\n0.539216 0.596430 0.147528 Fe\n0.911262 0.667947 0.921723 Fe\n0.913873 0.904358 0.966488 Fe\n0.350036 0.603144 0.322633 Fe\n0.601792 0.455946 0.820371 Fe\n0.322446 0.245040 0.101241 Fe\n0.260865 0.147406 0.303573 Fe\n0.643417 0.243231 0.785679 Fe\n0.833799 0.426036 0.904930 Fe\n0.658683 0.347635 0.020263 Fe\n0.244861 0.630193 0.749796 Fe\n0.929325 0.449523 0.293318 Fe\n0.148794 0.436288 0.386344 Fe\n0.100570 0.988602 0.270445 Fe\n0.772862 0.393886 0.681428 Fe\n0.676656 0.604173 0.938632 Fe\n0.508084 0.784658 0.280209 Fe\n0.712127 0.819149 0.900556 Fe\n0.712321 0.172015 0.189515 Fe\n0.333476 0.735460 0.106445 Fe\n0.022230 0.506259 0.053572 Fe\n0.720359 0.621200 0.312070 Fe\n0.375923 0.590346 0.565148 Fe\n0.526917 0.478913 0.364838 Fe\n0.586679 0.881815 0.503075 Fe\n0.657545 0.080897 0.404023 Fe\n0.017084 0.682020 0.661106 Fe\n0.811117 0.739990 0.515962 Fe\n0.347591 0.822825 0.815258 Fe\n0.581629 0.089170 0.632887 Fe\n0.213431 0.818142 0.619670 Fe\n0.732134 0.984371 0.076596 Fe\n0.507430 0.729220 0.959269 Fe\n0.762209 0.614188 0.707250 Fe\n0.124025 0.268484 0.735300 Fe\n0.330285 0.971784 0.172717 Fe\n0.199718 0.235484 0.520046 Fe\n0.902859 0.028452 0.392534 Fe\n0.480330 0.394615 0.130763 Fe\n0.199724 0.032241 0.723477 Fe\n0.489599 0.920636 0.011505 Fe\n0.779448 0.964555 0.566165 Fe\n0.916461 0.687598 0.214644 Fe\n0.531234 0.147723 0.038824 Fe\n0.178563 0.650727 0.476062 Fe\n0.101594 0.825169 0.106866 Fe\n0.364109 0.232637 0.694368 Fe\n0.759712 0.467768 0.469509 Fe\n0.253753 0.180205 0.901113 Fe\n0.431806 0.059378 0.832784 Fe\n0.172311 0.460568 0.617059 Fe\n0.120773 0.330606 0.175994 Fe\n0.788002 0.535131 0.107742 Fe\n0.506368 0.657324 0.740024 Fe\n0.004164 0.909981 0.602834 Fe\n",
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"volume": 1164.1687065719714,
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"formula_full": "Fe100",
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{
"id": "mp-1080217",
"created_at": "2022-09-04T14:46:19.137013Z",
"structure_string": "Ca2 Mn24 O48\n1.0\n5.891701 0.000000 0.000000\n0.000000 9.749825 0.000000\n0.000000 9.574530 13.919649\nCa Mn O\n2 24 48\ndirect\n0.622361 0.272950 0.738622 Ca\n0.377639 0.272950 0.238622 Ca\n0.372582 0.013226 0.491454 Mn\n0.374474 0.486531 0.511028 Mn\n0.876388 0.019132 0.487619 Mn\n0.874884 0.484105 0.512085 Mn\n0.371442 0.882237 0.850147 Mn\n0.371700 0.435530 0.843348 Mn\n0.878961 0.881644 0.849850 Mn\n0.877001 0.435298 0.843630 Mn\n0.374191 0.626157 0.153866 Mn\n0.374603 0.058805 0.158103 Mn\n0.875817 0.611678 0.152614 Mn\n0.874156 0.069925 0.160002 Mn\n0.627418 0.013226 0.991454 Mn\n0.625526 0.486531 0.011028 Mn\n0.123612 0.019132 0.987619 Mn\n0.125116 0.484105 0.012085 Mn\n0.628300 0.435530 0.343348 Mn\n0.628558 0.882237 0.350147 Mn\n0.122999 0.435298 0.343630 Mn\n0.121039 0.881644 0.349850 Mn\n0.625397 0.058805 0.658103 Mn\n0.625809 0.626157 0.653866 Mn\n0.125844 0.069925 0.660002 Mn\n0.124183 0.611678 0.652614 Mn\n0.375482 0.514153 0.077575 O\n0.375371 0.046139 0.051591 O\n0.874404 0.517166 0.074904 O\n0.874050 0.050697 0.051796 O\n0.378767 0.986755 0.924327 O\n0.375416 0.453531 0.949893 O\n0.871261 0.987589 0.924080 O\n0.873996 0.449200 0.951681 O\n0.125950 0.050697 0.551796 O\n0.125596 0.517166 0.574904 O\n0.624629 0.046139 0.551591 O\n0.624518 0.514153 0.577575 O\n0.624584 0.453531 0.449893 O\n0.621233 0.986755 0.424327 O\n0.126004 0.449200 0.451681 O\n0.128739 0.987589 0.424080 O\n0.121308 0.766332 0.092676 O\n0.132642 0.224203 0.117918 O\n0.628367 0.768227 0.092581 O\n0.616207 0.225565 0.117704 O\n0.125333 0.732561 0.910350 O\n0.124713 0.280471 0.889883 O\n0.625200 0.729789 0.910735 O\n0.624479 0.275082 0.884811 O\n0.383793 0.225565 0.617704 O\n0.371633 0.768227 0.592581 O\n0.867358 0.224203 0.617918 O\n0.878692 0.766332 0.592676 O\n0.375521 0.275082 0.384811 O\n0.374800 0.729789 0.410735 O\n0.875287 0.280471 0.389883 O\n0.874667 0.732561 0.410350 O\n0.127026 0.459763 0.221616 O\n0.117244 0.904589 0.223247 O\n0.623861 0.460078 0.221775 O\n0.631790 0.904777 0.223389 O\n0.124769 0.043006 0.781846 O\n0.123584 0.594890 0.778115 O\n0.625453 0.023924 0.782364 O\n0.624842 0.597692 0.778412 O\n0.368210 0.904777 0.723389 O\n0.376139 0.460078 0.721775 O\n0.882756 0.904589 0.723247 O\n0.872974 0.459763 0.721616 O\n0.375158 0.597692 0.278412 O\n0.374547 0.023924 0.282364 O\n0.876416 0.594890 0.278115 O\n0.875231 0.043006 0.281846 O\n",
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"formula_full": "Ca2 Mn24 O48",
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{
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"structure_string": "Tm4 W4 O20\n1.0\n4.744281 0.000000 -2.302753\n-4.622419 0.000000 -4.588842\n0.000000 12.547552 0.000000\nTm W O\n4 4 20\ndirect\n0.144982 0.785507 0.444962 Tm\n0.855018 0.214493 0.555038 Tm\n0.355018 0.714493 0.944962 Tm\n0.644982 0.285507 0.055038 Tm\n0.951935 0.847280 0.138521 W\n0.048065 0.152720 0.861479 W\n0.548065 0.652720 0.638521 W\n0.451935 0.347280 0.361479 W\n0.046813 0.557127 0.084878 O\n0.953187 0.442873 0.915122 O\n0.453187 0.942873 0.584878 O\n0.546813 0.057127 0.415122 O\n0.860725 0.845697 0.571933 O\n0.139275 0.154303 0.428067 O\n0.639275 0.654303 0.071933 O\n0.360725 0.345697 0.928067 O\n0.273016 0.971927 0.063552 O\n0.726984 0.028073 0.936448 O\n0.226984 0.528073 0.563552 O\n0.773016 0.471927 0.436448 O\n0.997859 0.790896 0.275903 O\n0.002141 0.209104 0.724097 O\n0.502141 0.709104 0.775903 O\n0.497859 0.290896 0.224097 O\n0.154803 0.916984 0.851064 O\n0.845197 0.083016 0.148936 O\n0.345197 0.583016 0.351064 O\n0.654803 0.416984 0.648936 O\n",
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{
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{
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{
"id": "mp-1210656",
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"structure_string": "Mg2 Zn4 As4 O16\n1.0\n8.585071 0.000000 0.000000\n0.000000 5.352667 0.000000\n0.000000 4.482738 7.838504\nMg Zn As O\n2 4 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.360853 0.981744 0.111709 Zn\n0.639147 0.018256 0.888291 Zn\n0.860853 0.018256 0.388291 Zn\n0.139147 0.981744 0.611709 Zn\n0.693390 0.648632 0.306725 As\n0.306610 0.351368 0.693275 As\n0.193390 0.351368 0.193275 As\n0.806610 0.648632 0.806725 As\n0.636970 0.726875 0.460412 O\n0.363030 0.273125 0.539588 O\n0.136970 0.273125 0.039588 O\n0.863030 0.726875 0.960412 O\n0.567162 0.793308 0.135905 O\n0.432838 0.206692 0.864095 O\n0.067162 0.206692 0.364095 O\n0.932838 0.793308 0.635905 O\n0.871744 0.823292 0.245090 O\n0.128256 0.176708 0.754910 O\n0.371744 0.176708 0.254910 O\n0.628256 0.823292 0.745090 O\n0.696475 0.284226 0.384495 O\n0.303525 0.715774 0.615505 O\n0.196475 0.715774 0.115505 O\n0.803525 0.284226 0.884495 O\n",
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]
}