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{
"id": "mp-1228717",
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"structure_string": "Ca13 Nb3 Si8 O36\n1.0\n7.382453 0.000000 0.000000\n-0.033077 -10.536308 0.000000\n-3.647574 0.002603 -10.369875\nCa Nb Si O\n13 3 8 36\ndirect\n0.032440 0.907813 0.067440 Ca\n0.962207 0.419825 0.924885 Ca\n0.963892 0.101960 0.433339 Ca\n0.033748 0.597647 0.572278 Ca\n0.461670 0.103122 0.434069 Ca\n0.527697 0.587985 0.556994 Ca\n0.345311 0.628032 0.188245 Ca\n0.677207 0.125505 0.830231 Ca\n0.532126 0.906022 0.061425 Ca\n0.475873 0.406616 0.940215 Ca\n0.167390 0.386098 0.332918 Ca\n0.649713 0.380290 0.312685 Ca\n0.325924 0.888715 0.670804 Ca\n0.843084 0.891700 0.685935 Nb\n0.850314 0.615711 0.192077 Nb\n0.159104 0.119970 0.819906 Nb\n0.227815 0.813909 0.389139 Si\n0.776946 0.314981 0.621712 Si\n0.657188 0.834318 0.371923 Si\n0.343650 0.314508 0.629601 Si\n0.772477 0.196480 0.112887 Si\n0.228101 0.695814 0.882089 Si\n0.338391 0.180772 0.122045 Si\n0.656589 0.686396 0.875123 Si\n0.207319 0.960793 0.426452 O\n0.812799 0.465580 0.613048 O\n0.610625 0.526595 0.128964 O\n0.389645 0.023238 0.853862 O\n0.247577 0.773445 0.014024 O\n0.769455 0.281117 0.986612 O\n0.907795 0.241990 0.254666 O\n0.071682 0.753423 0.749090 O\n0.254622 0.727996 0.517955 O\n0.747638 0.239600 0.487583 O\n0.025964 0.523074 0.132841 O\n0.951264 0.993744 0.851813 O\n0.069957 0.764348 0.253910 O\n0.930950 0.248328 0.750106 O\n0.338912 0.242961 0.256622 O\n0.694638 0.759164 0.753310 O\n0.430567 0.795602 0.354796 O\n0.579439 0.289744 0.661847 O\n0.679160 0.762308 0.245608 O\n0.323506 0.264332 0.766279 O\n0.787688 0.777694 0.515602 O\n0.238188 0.227350 0.504416 O\n0.437928 0.504490 0.360256 O\n0.613342 0.989132 0.640396 O\n0.922134 0.535162 0.354596 O\n0.039600 0.006583 0.651177 O\n0.777178 0.748684 0.015966 O\n0.196747 0.243239 0.984556 O\n0.551507 0.230481 0.116335 O\n0.429558 0.732343 0.849311 O\n0.784953 0.047217 0.074350 O\n0.210271 0.544360 0.900485 O\n0.681894 0.985502 0.366735 O\n0.291880 0.462582 0.598850 O\n0.312120 0.028311 0.116467 O\n0.672642 0.535293 0.863149 O\n",
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"spacegroup": 1
},
{
"id": "mp-1096222",
"created_at": "2022-09-04T14:44:15.274667Z",
"structure_string": "Nb2 V1 Re1\n1.0\n-4.565571 5.655152 7.810289\n4.565571 -5.655152 7.810289\n4.565571 5.655152 -7.810289\nNb V Re\n2 1 1\ndirect\n0.000000 0.254651 0.254651 Nb\n0.000000 0.745349 0.745349 Nb\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Re\n",
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"formula_full": "Nb2 V1 Re1",
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{
"id": "mp-770764",
"created_at": "2022-09-04T14:41:18.099151Z",
"structure_string": "Li8 Fe4 B20 O40\n1.0\n15.296156 0.000000 0.000000\n0.000000 7.255661 0.000000\n0.000000 0.103347 7.267933\nLi Fe B O\n8 4 20 40\ndirect\n0.829844 0.899872 0.999904 Li\n0.670156 0.899872 0.499904 Li\n0.072605 0.694220 0.588850 Li\n0.427395 0.694220 0.088850 Li\n0.572605 0.305780 0.911150 Li\n0.927395 0.305780 0.411150 Li\n0.329844 0.100128 0.500096 Li\n0.170156 0.100128 0.000096 Li\n0.876276 0.850079 0.535715 Fe\n0.623724 0.850079 0.035715 Fe\n0.376276 0.149921 0.964285 Fe\n0.123724 0.149921 0.464285 Fe\n0.973565 0.797885 0.907507 B\n0.526435 0.797885 0.407507 B\n0.222874 0.784117 0.521362 B\n0.277126 0.784117 0.021362 B\n0.496905 0.753562 0.733083 B\n0.003095 0.753562 0.233083 B\n0.379642 0.681407 0.505878 B\n0.120358 0.681407 0.005878 B\n0.743278 0.542136 0.500501 B\n0.756722 0.542136 0.000501 B\n0.243278 0.457864 0.999499 B\n0.256722 0.457864 0.499499 B\n0.879643 0.318593 0.994122 B\n0.620358 0.318593 0.494122 B\n0.996905 0.246438 0.766917 B\n0.503095 0.246438 0.266917 B\n0.722874 0.215883 0.978638 B\n0.777126 0.215883 0.478638 B\n0.473565 0.202115 0.592493 B\n0.026435 0.202115 0.092493 B\n0.156920 0.909751 0.537292 O\n0.343080 0.909751 0.037292 O\n0.910635 0.849876 0.784330 O\n0.589365 0.849876 0.284330 O\n0.191017 0.829582 0.994385 O\n0.549301 0.830929 0.592810 O\n0.308983 0.829582 0.494385 O\n0.950699 0.830929 0.092810 O\n0.525917 0.750100 0.912429 O\n0.974083 0.750100 0.412429 O\n0.769525 0.722445 0.510732 O\n0.052322 0.721582 0.861725 O\n0.730475 0.722445 0.010732 O\n0.447678 0.721582 0.361725 O\n0.417832 0.682078 0.690820 O\n0.082168 0.682078 0.190820 O\n0.196015 0.598428 0.537594 O\n0.303985 0.598428 0.037594 O\n0.658063 0.498698 0.528629 O\n0.158063 0.501302 0.971371 O\n0.841937 0.498698 0.028629 O\n0.341937 0.501302 0.471371 O\n0.696015 0.401572 0.962406 O\n0.803985 0.401572 0.462406 O\n0.917832 0.317922 0.809180 O\n0.582168 0.317922 0.309180 O\n0.552322 0.278418 0.638275 O\n0.269525 0.277555 0.989268 O\n0.947678 0.278418 0.138275 O\n0.230475 0.277555 0.489268 O\n0.025917 0.249900 0.587571 O\n0.474083 0.249900 0.087571 O\n0.049301 0.169071 0.907190 O\n0.691017 0.170418 0.505615 O\n0.450699 0.169071 0.407190 O\n0.808983 0.170418 0.005615 O\n0.410635 0.150124 0.715670 O\n0.089365 0.150124 0.215670 O\n0.656920 0.090249 0.962708 O\n0.843080 0.090249 0.462708 O\n",
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{
"id": "mp-735027",
"created_at": "2022-09-04T14:41:20.019677Z",
"structure_string": "V4 S8 N4 O36\n1.0\n5.053564 0.000000 0.000000\n0.000000 9.157803 0.000000\n0.000000 0.000000 17.429720\nV S N O\n4 8 4 36\ndirect\n0.742535 0.652426 0.194803 V\n0.757465 0.347574 0.694803 V\n0.242535 0.847574 0.805197 V\n0.257465 0.152426 0.305197 V\n0.228901 0.614939 0.077051 S\n0.271099 0.385061 0.577051 S\n0.728901 0.885061 0.922949 S\n0.771099 0.114939 0.422949 S\n0.250727 0.753377 0.301020 S\n0.249273 0.246623 0.801020 S\n0.750727 0.746623 0.698980 S\n0.749273 0.253377 0.198980 S\n0.744774 0.599777 0.451021 N\n0.755226 0.400223 0.951021 N\n0.244774 0.900223 0.548979 N\n0.255226 0.099777 0.048979 N\n0.225920 0.770227 0.060617 O\n0.274080 0.229773 0.560617 O\n0.725920 0.729773 0.939383 O\n0.774080 0.270227 0.439383 O\n0.449080 0.573958 0.132774 O\n0.050920 0.426042 0.632774 O\n0.949080 0.926042 0.867226 O\n0.550920 0.073958 0.367226 O\n0.251934 0.523033 0.008787 O\n0.248066 0.476967 0.508787 O\n0.751934 0.976967 0.991213 O\n0.748066 0.023033 0.491213 O\n0.980327 0.566202 0.119361 O\n0.519673 0.433798 0.619361 O\n0.480327 0.933798 0.880639 O\n0.019673 0.066202 0.380639 O\n0.030732 0.657357 0.266827 O\n0.469268 0.342643 0.766827 O\n0.530732 0.842643 0.733173 O\n0.969268 0.157357 0.233173 O\n0.749644 0.395911 0.236370 O\n0.750356 0.604089 0.736370 O\n0.249644 0.104089 0.763630 O\n0.250356 0.895911 0.263630 O\n0.233022 0.751462 0.383327 O\n0.266978 0.248538 0.883327 O\n0.733022 0.748538 0.616673 O\n0.766978 0.251462 0.116673 O\n0.499776 0.666853 0.278612 O\n0.000224 0.333147 0.778612 O\n0.999776 0.833147 0.721388 O\n0.500224 0.166853 0.221388 O\n0.742094 0.816293 0.165430 O\n0.757906 0.183707 0.665430 O\n0.242094 0.683707 0.834570 O\n0.257906 0.316293 0.334570 O\n",
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{
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"structure_string": "Ba8 Br12 O2\n1.0\n10.219232 0.000000 0.000000\n0.000000 10.219232 0.000000\n0.000000 0.000000 7.724198\nBa Br O\n8 12 2\ndirect\n0.000000 0.232136 0.336392 Ba\n0.732136 0.500000 0.836392 Ba\n0.267864 0.500000 0.836392 Ba\n0.000000 0.767864 0.336392 Ba\n0.500000 0.732136 0.163608 Ba\n0.232136 0.000000 0.663608 Ba\n0.767864 0.000000 0.663608 Ba\n0.500000 0.267864 0.163608 Ba\n0.705313 0.294687 0.500000 Br\n0.294687 0.294687 0.500000 Br\n0.000000 0.500000 0.089291 Br\n0.000000 0.500000 0.589291 Br\n0.294687 0.705313 0.500000 Br\n0.705313 0.705313 0.500000 Br\n0.794687 0.794687 0.000000 Br\n0.205313 0.794687 0.000000 Br\n0.500000 0.000000 0.910709 Br\n0.500000 0.000000 0.410709 Br\n0.794687 0.205313 0.000000 Br\n0.205313 0.205313 0.000000 Br\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
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{
"id": "mp-1204483",
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"structure_string": "Hg8 Se8 O28\n1.0\n13.221987 0.000000 0.000000\n0.000000 5.191063 0.000000\n0.000000 0.782998 11.752885\nHg Se O\n8 8 28\ndirect\n0.022331 0.749864 0.364590 Hg\n0.522331 0.250136 0.135410 Hg\n0.977669 0.250136 0.635410 Hg\n0.477669 0.749864 0.864590 Hg\n0.193680 0.279513 0.232977 Hg\n0.693680 0.720487 0.267023 Hg\n0.806320 0.720487 0.767023 Hg\n0.306320 0.279513 0.732977 Hg\n0.138900 0.778804 0.608545 Se\n0.638900 0.221196 0.891455 Se\n0.861100 0.221196 0.391455 Se\n0.361100 0.778804 0.108545 Se\n0.065362 0.730772 0.093178 Se\n0.565362 0.269228 0.406822 Se\n0.934638 0.269228 0.906822 Se\n0.434638 0.730772 0.593178 Se\n0.009768 0.731143 0.609008 O\n0.509768 0.268857 0.890992 O\n0.990232 0.268857 0.390992 O\n0.490232 0.731143 0.109008 O\n0.143756 0.107817 0.622580 O\n0.643756 0.892183 0.877420 O\n0.856244 0.892183 0.377420 O\n0.356244 0.107817 0.122580 O\n0.164399 0.750772 0.463614 O\n0.664399 0.249228 0.036386 O\n0.835601 0.249228 0.536386 O\n0.335601 0.750772 0.963614 O\n0.960869 0.712662 0.179982 O\n0.460869 0.287338 0.320018 O\n0.039131 0.287338 0.820018 O\n0.539131 0.712662 0.679982 O\n0.107133 0.408105 0.090190 O\n0.607133 0.591895 0.409810 O\n0.892867 0.591895 0.909810 O\n0.392867 0.408105 0.590190 O\n0.151127 0.828429 0.192361 O\n0.651127 0.171571 0.307639 O\n0.848873 0.171571 0.807639 O\n0.348873 0.828429 0.692361 O\n0.267223 0.218281 0.385870 O\n0.767223 0.781719 0.114130 O\n0.732777 0.781719 0.614130 O\n0.232777 0.218281 0.885870 O\n",
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{
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"structure_string": "Rb6 Sm2 P4 S16\n1.0\n6.895743 0.000000 0.000000\n0.000000 9.894428 0.000000\n0.000000 0.139199 11.823059\nRb Sm P S\n6 2 4 16\ndirect\n0.802679 0.355552 0.096741 Rb\n0.302679 0.644448 0.903259 Rb\n0.307346 0.825653 0.414472 Rb\n0.807346 0.174347 0.585528 Rb\n0.808560 0.607942 0.649508 Rb\n0.308560 0.392058 0.350492 Rb\n0.786904 0.884116 0.147098 Sm\n0.286904 0.115884 0.852902 Sm\n0.808568 0.627315 0.308289 P\n0.830400 0.915011 0.845587 P\n0.330400 0.084989 0.154413 P\n0.308568 0.372685 0.691711 P\n0.064807 0.909595 0.738555 S\n0.564807 0.090405 0.261445 S\n0.805935 0.738456 0.937516 S\n0.305935 0.261544 0.062484 S\n0.085357 0.053470 0.249085 S\n0.894878 0.064753 0.960278 S\n0.585357 0.946530 0.750915 S\n0.394878 0.935247 0.039722 S\n0.305106 0.201579 0.594588 S\n0.805106 0.798421 0.405412 S\n0.542965 0.347250 0.798067 S\n0.042965 0.652750 0.201933 S\n0.314873 0.552784 0.609161 S\n0.814873 0.447216 0.390839 S\n0.063901 0.354826 0.792695 S\n0.563901 0.645174 0.207305 S\n",
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