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{
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{
"id": "mp-754844",
"created_at": "2022-09-04T14:39:28.344107Z",
"structure_string": "Na4 Ir2 O6\n1.0\n4.793176 2.771483 0.000000\n-4.793176 2.771483 0.000000\n0.000000 1.875563 5.318736\nNa Ir O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.161304 0.838696 0.500000 Na\n0.838696 0.161304 0.500000 Na\n0.333130 0.666870 0.000000 Ir\n0.666870 0.333130 0.000000 Ir\n0.560011 0.930978 0.203976 O\n0.930978 0.560011 0.203976 O\n0.439989 0.069022 0.796024 O\n0.069022 0.439989 0.796024 O\n0.700511 0.700511 0.793759 O\n0.299489 0.299489 0.206241 O\n",
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{
"id": "mp-987508",
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},
{
"id": "mp-27673",
"created_at": "2022-09-04T14:39:28.336567Z",
"structure_string": "Ta8 P8 S48\n1.0\n-8.070862 8.070862 6.787498\n8.070862 -8.070862 6.787498\n8.070862 8.070862 -6.787498\nTa P S\n8 8 48\ndirect\n0.075669 0.575669 0.651338 Ta\n0.825669 0.674331 0.000000 Ta\n0.674331 0.825669 0.000000 Ta\n0.924331 0.424331 0.348662 Ta\n0.174331 0.174331 0.848662 Ta\n0.424331 0.075669 0.500000 Ta\n0.575669 0.924331 0.500000 Ta\n0.325669 0.325669 0.151338 Ta\n0.875000 0.555575 0.180575 P\n0.875000 0.055575 0.680575 P\n0.305575 0.125000 0.680575 P\n0.444425 0.625000 0.319425 P\n0.375000 0.194425 0.319425 P\n0.375000 0.694425 0.819425 P\n0.944425 0.625000 0.819425 P\n0.805575 0.125000 0.180575 P\n0.173849 0.084427 0.997390 S\n0.220315 0.505139 0.721132 S\n0.755139 0.534007 0.784824 S\n0.749183 0.970315 0.215176 S\n0.784007 0.499183 0.278868 S\n0.994861 0.279685 0.278868 S\n0.965993 0.744861 0.215176 S\n0.529685 0.750817 0.784824 S\n0.162962 0.573541 0.497390 S\n0.823541 0.826151 0.910578 S\n0.915573 0.912962 0.089422 S\n0.076151 0.665573 0.502610 S\n0.926459 0.337038 0.502610 S\n0.673849 0.676459 0.089422 S\n0.587038 0.584427 0.910578 S\n0.834427 0.423849 0.497390 S\n0.087038 0.176459 0.002610 S\n0.426459 0.923849 0.589422 S\n0.334427 0.837038 0.410578 S\n0.000817 0.715993 0.721132 S\n0.323541 0.412962 0.997390 S\n0.576151 0.073541 0.410578 S\n0.662962 0.165573 0.589422 S\n0.415573 0.326151 0.002610 S\n0.503796 0.713193 0.497114 S\n0.963193 0.966078 0.709396 S\n0.256682 0.253796 0.290604 S\n0.216078 0.006682 0.502886 S\n0.786807 0.996204 0.502886 S\n0.533922 0.536807 0.290604 S\n0.246204 0.243318 0.709396 S\n0.493318 0.283922 0.497114 S\n0.746204 0.036807 0.002886 S\n0.286807 0.783922 0.790604 S\n0.993318 0.496204 0.209396 S\n0.033922 0.743318 0.997114 S\n0.463193 0.753796 0.997114 S\n0.716078 0.213193 0.209396 S\n0.003796 0.506682 0.790604 S\n0.756682 0.466078 0.002886 S\n0.249183 0.034007 0.778868 S\n0.494861 0.215993 0.715176 S\n0.500817 0.779685 0.284824 S\n0.465993 0.250817 0.221132 S\n0.255139 0.470315 0.221132 S\n0.284007 0.005139 0.284824 S\n0.720315 0.999183 0.715176 S\n0.029685 0.244861 0.778868 S\n",
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"elements": [
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"density": 3.0370069251527445,
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"formula_full": "Ta8 P8 S48",
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"spacegroup": 142
},
{
"id": "mp-1203605",
"created_at": "2022-09-04T14:39:28.331371Z",
"structure_string": "Hf42 Re50\n1.0\n7.996651 -12.899453 0.000000\n7.996651 12.899453 0.000000\n-12.811546 0.000000 8.136743\nHf Re\n42 50\ndirect\n0.054634 0.445366 0.750000 Hf\n0.750000 0.054634 0.445366 Hf\n0.445366 0.750000 0.054634 Hf\n0.250000 0.945366 0.554634 Hf\n0.554634 0.250000 0.945366 Hf\n0.945366 0.554634 0.250000 Hf\n0.953221 0.726956 0.186119 Hf\n0.186119 0.953221 0.726956 Hf\n0.726956 0.186119 0.953221 Hf\n0.686119 0.226956 0.453221 Hf\n0.453221 0.686119 0.226956 Hf\n0.226956 0.453221 0.686119 Hf\n0.046779 0.273044 0.813881 Hf\n0.813881 0.046779 0.273044 Hf\n0.273044 0.813881 0.046779 Hf\n0.313881 0.773044 0.546779 Hf\n0.546779 0.313881 0.773044 Hf\n0.773044 0.546779 0.313881 Hf\n0.818644 0.934014 0.049506 Hf\n0.049506 0.818644 0.934014 Hf\n0.934014 0.049506 0.818644 Hf\n0.549506 0.434014 0.318644 Hf\n0.318644 0.549506 0.434014 Hf\n0.434014 0.318644 0.549506 Hf\n0.181356 0.065986 0.950494 Hf\n0.950494 0.181356 0.065986 Hf\n0.065986 0.950494 0.181356 Hf\n0.450494 0.565986 0.681356 Hf\n0.681356 0.450494 0.565986 Hf\n0.565986 0.681356 0.450494 Hf\n0.439166 0.957417 0.862103 Hf\n0.862103 0.439166 0.957417 Hf\n0.957417 0.862103 0.439166 Hf\n0.362103 0.457417 0.939166 Hf\n0.939166 0.362103 0.457417 Hf\n0.457417 0.939166 0.362103 Hf\n0.560834 0.042583 0.137897 Hf\n0.137897 0.560834 0.042583 Hf\n0.042583 0.137897 0.560834 Hf\n0.637897 0.542583 0.060834 Hf\n0.060834 0.637897 0.542583 Hf\n0.542583 0.060834 0.637897 Hf\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.688629 0.811371 0.750000 Re\n0.750000 0.688629 0.811371 Re\n0.811371 0.750000 0.688629 Re\n0.250000 0.311371 0.188629 Re\n0.188629 0.250000 0.311371 Re\n0.311371 0.188629 0.250000 Re\n0.306262 0.193738 0.750000 Re\n0.750000 0.306262 0.193738 Re\n0.193738 0.750000 0.306262 Re\n0.250000 0.693738 0.806262 Re\n0.806262 0.250000 0.693738 Re\n0.693738 0.806262 0.250000 Re\n0.693631 0.631770 0.930068 Re\n0.930068 0.693631 0.631770 Re\n0.631770 0.930068 0.693631 Re\n0.430068 0.131770 0.193631 Re\n0.193631 0.430068 0.131770 Re\n0.131770 0.193631 0.430068 Re\n0.306369 0.368230 0.069932 Re\n0.069932 0.306369 0.368230 Re\n0.368230 0.069932 0.306369 Re\n0.569932 0.868230 0.806369 Re\n0.806369 0.569932 0.868230 Re\n0.868230 0.806369 0.569932 Re\n0.519436 0.811839 0.929466 Re\n0.929466 0.519436 0.811839 Re\n0.811839 0.929466 0.519436 Re\n0.429466 0.311839 0.019436 Re\n0.019436 0.429466 0.311839 Re\n0.311839 0.019436 0.429466 Re\n0.480564 0.188161 0.070534 Re\n0.070534 0.480564 0.188161 Re\n0.188161 0.070534 0.480564 Re\n0.570534 0.688161 0.980564 Re\n0.980564 0.570534 0.688161 Re\n0.688161 0.980564 0.570534 Re\n0.764563 0.119185 0.116389 Re\n0.116389 0.764563 0.119185 Re\n0.119185 0.116389 0.764563 Re\n0.616389 0.619185 0.264563 Re\n0.264563 0.616389 0.619185 Re\n0.619185 0.264563 0.616389 Re\n0.235437 0.880815 0.883611 Re\n0.883611 0.235437 0.880815 Re\n0.880815 0.883611 0.235437 Re\n0.383611 0.380815 0.735437 Re\n0.735437 0.383611 0.380815 Re\n0.380815 0.735437 0.383611 Re\n",
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{
"id": "mp-1219694",
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"structure_string": "Pu1 Np1\n1.0\n-1.920439 -1.535713 1.535713\n-1.920439 1.535713 -1.535713\n0.000000 -3.547963 -3.547963\nPu Np\n1 1\ndirect\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Np\n",
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{
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"structure_string": "Ba2 Ni5 Ge4\n1.0\n2.020251 6.263226 0.000000\n-2.020251 6.263226 0.000000\n0.000000 4.689543 8.461708\nBa Ni Ge\n2 5 4\ndirect\n0.177687 0.177687 0.855057 Ba\n0.822313 0.822313 0.144943 Ba\n0.034863 0.034863 0.302772 Ni\n0.965137 0.965137 0.697228 Ni\n0.336058 0.336058 0.424324 Ni\n0.663942 0.663942 0.575676 Ni\n0.500000 0.500000 0.500000 Ni\n0.857978 0.857978 0.551851 Ge\n0.142022 0.142022 0.448149 Ge\n0.468367 0.468367 0.808571 Ge\n0.531633 0.531633 0.191429 Ge\n",
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"formula_full": "Ba2 Ni5 Ge4",
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{
"id": "mp-1105975",
"created_at": "2022-09-04T14:39:28.323305Z",
"structure_string": "Rb2 Sb6 S10 O2\n1.0\n5.972020 0.000000 0.000000\n1.072156 9.055676 0.000000\n0.696443 2.477468 10.694006\nRb Sb S O\n2 6 10 2\ndirect\n0.787470 0.866864 0.158548 Rb\n0.212530 0.133136 0.841452 Rb\n0.715624 0.342275 0.463821 Sb\n0.284376 0.657725 0.536179 Sb\n0.296441 0.479866 0.125355 Sb\n0.703559 0.520134 0.874645 Sb\n0.283363 0.081812 0.367921 Sb\n0.716637 0.918188 0.632079 Sb\n0.693307 0.086935 0.376385 S\n0.306693 0.913065 0.623615 S\n0.704684 0.480087 0.114681 S\n0.295316 0.519913 0.885319 S\n0.315113 0.414806 0.422361 S\n0.684887 0.585194 0.577639 S\n0.323879 0.192878 0.117202 S\n0.676121 0.807122 0.882798 S\n0.296370 0.824195 0.318764 S\n0.703630 0.175805 0.681236 S\n0.553163 0.155911 0.052216 O\n0.446837 0.844089 0.947784 O\n",
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{
"id": "mp-1180341",
"created_at": "2022-09-04T14:39:28.312314Z",
"structure_string": "Mg2 Zn2 Cl8 O12\n1.0\n7.356513 -0.843814 1.200994\n-0.086698 6.414961 0.056376\n2.122217 -0.315194 11.537466\nMg Zn Cl O\n2 2 8 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.660177 0.634006 0.543879 Zn\n0.339823 0.365994 0.456121 Zn\n0.892422 0.273986 0.778332 Cl\n0.107578 0.726014 0.221668 Cl\n0.549018 0.070796 0.680583 Cl\n0.450982 0.929204 0.319417 Cl\n0.289991 0.388752 0.927273 Cl\n0.710009 0.611248 0.072727 Cl\n0.335122 0.578517 0.622883 Cl\n0.664878 0.421483 0.377117 Cl\n0.880642 0.228019 0.906605 O\n0.119358 0.771981 0.093395 O\n0.920504 0.782264 0.892146 O\n0.079496 0.217736 0.107854 O\n0.719696 0.865832 0.086288 O\n0.280304 0.134168 0.913712 O\n0.884377 0.718784 0.574988 O\n0.115623 0.281216 0.425012 O\n0.995093 0.868712 0.314846 O\n0.004907 0.131288 0.685154 O\n0.696445 0.980076 0.555506 O\n0.303555 0.019924 0.444494 O\n",
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{
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{
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{
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{
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}