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{
"id": "mp-1244884",
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"structure_string": "Ga50 N50\n1.0\n11.227449 0.046557 -0.006495\n0.055507 11.458789 0.143490\n-0.000245 0.140929 12.156154\nGa N\n50 50\ndirect\n0.908717 0.947937 0.434172 Ga\n0.083487 0.795722 0.298691 Ga\n0.793795 0.858261 -0.001454 Ga\n0.062499 0.924959 0.809269 Ga\n0.221638 0.177780 0.129086 Ga\n0.159314 0.585794 0.829688 Ga\n0.568951 0.779177 0.819337 Ga\n0.939428 0.145870 0.252241 Ga\n0.369486 0.114782 0.698289 Ga\n0.505360 0.031083 0.074929 Ga\n0.370118 0.834022 0.587350 Ga\n0.342767 0.013914 0.892653 Ga\n0.436617 0.346156 0.178919 Ga\n0.715836 0.376107 0.230849 Ga\n0.113180 0.120229 0.481693 Ga\n0.607476 0.049364 0.879928 Ga\n0.196340 0.991825 0.646719 Ga\n0.489186 0.548871 0.862913 Ga\n0.139619 0.789771 0.567734 Ga\n0.085993 0.349074 0.491280 Ga\n0.665116 0.912265 0.417655 Ga\n0.517822 0.647424 0.588373 Ga\n0.887750 0.566878 0.308267 Ga\n0.797841 0.303354 0.831048 Ga\n0.311861 0.375746 0.579912 Ga\n0.344511 0.794134 0.813709 Ga\n0.945596 0.619825 0.091364 Ga\n0.140245 0.316522 0.287987 Ga\n0.473248 0.832637 0.294158 Ga\n0.705260 0.107462 0.151707 Ga\n0.843195 0.395294 0.657807 Ga\n0.817193 0.166012 0.568221 Ga\n0.536155 0.975603 0.638530 Ga\n0.930563 0.674480 0.540675 Ga\n0.276363 0.920153 0.119962 Ga\n0.086398 0.548447 0.632786 Ga\n0.748687 0.594278 0.692698 Ga\n0.789397 0.899418 0.674813 Ga\n0.959476 0.727279 0.812811 Ga\n0.803161 0.783997 0.214429 Ga\n0.767094 0.385212 0.446938 Ga\n0.883363 0.361022 0.077950 Ga\n0.974631 0.931194 0.101160 Ga\n0.573532 0.267554 0.692092 Ga\n0.578470 0.766115 0.083359 Ga\n0.311573 0.592686 0.646452 Ga\n0.285425 0.777951 0.391243 Ga\n0.679099 0.668266 0.447428 Ga\n0.597186 0.365400 0.960965 Ga\n0.739847 0.581606 0.951618 Ga\n0.592086 0.151359 0.375520 N\n0.326775 0.347098 0.948006 N\n0.360929 0.024390 0.387432 N\n0.774528 0.992791 0.536214 N\n0.003922 0.808209 0.456452 N\n0.846643 0.736585 0.677625 N\n0.697134 0.298036 0.586889 N\n0.588605 0.630475 0.737157 N\n0.835792 0.012040 0.215568 N\n0.334803 0.626517 0.164056 N\n0.581878 0.358342 0.123117 N\n0.588529 0.668836 0.955965 N\n0.109780 0.543956 0.393654 N\n0.824276 0.567323 0.453136 N\n0.126726 0.301044 0.735899 N\n0.901846 0.020784 0.756786 N\n0.068290 0.220802 0.176305 N\n0.675523 0.677704 0.289591 N\n0.407706 0.274158 0.669280 N\n0.871107 0.686577 0.954054 N\n0.121095 0.686583 0.057568 N\n0.173100 0.685738 0.976281 N\n0.292940 0.277824 0.892899 N\n0.122528 0.912898 0.179942 N\n0.474431 0.452403 0.335087 N\n0.330074 0.613310 0.811975 N\n0.915100 0.317245 0.528678 N\n0.445485 0.875649 0.131204 N\n0.436352 0.516387 0.394769 N\n0.091972 0.458763 0.936148 N\n0.578034 0.710501 0.237913 N\n0.976626 0.094240 0.400357 N\n0.808307 0.924280 0.299625 N\n0.201143 0.586673 0.381817 N\n0.322306 0.071871 0.055806 N\n0.959231 0.697743 0.235135 N\n0.358954 0.551408 0.111118 N\n0.027883 0.466697 0.012964 N\n0.972501 0.198981 0.930791 N\n0.847549 0.491509 0.175631 N\n0.809564 0.241172 0.173332 N\n0.517089 0.211480 0.397101 N\n0.279740 0.074591 0.356683 N\n0.090607 0.211433 0.722851 N\n0.879454 0.120887 0.730042 N\n0.636927 0.226227 0.844813 N\n0.644913 0.923883 0.762613 N\n0.032711 0.120282 0.944487 N\n0.290883 0.300998 0.210453 N\n0.769116 0.413539 0.954583 N\n",
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"elements": [
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],
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"volume": 1563.6667794617706,
"volume_molar": 9.41662144765466,
"formula_full": "Ga50 N50",
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{
"id": "mp-560668",
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"structure_string": "K8 Zn12 P16 O56\n1.0\n10.131047 0.000000 0.000000\n0.000000 10.254645 0.000000\n0.000000 0.000000 13.096558\nK Zn P O\n8 12 16 56\ndirect\n0.226819 0.343391 0.778055 K\n0.273181 0.656609 0.278055 K\n0.902993 0.481085 0.004096 K\n0.097007 0.981085 0.495904 K\n0.726819 0.156609 0.221945 K\n0.597007 0.518915 0.504096 K\n0.402993 0.018915 0.995904 K\n0.773181 0.843391 0.721945 K\n0.799090 0.097633 0.921930 Zn\n0.349317 0.014245 0.297404 Zn\n0.849317 0.485755 0.702596 Zn\n0.650683 0.514245 0.202596 Zn\n0.299090 0.402367 0.078070 Zn\n0.977884 0.814231 0.134615 Zn\n0.150683 0.985755 0.797404 Zn\n0.477884 0.685769 0.865385 Zn\n0.522116 0.185769 0.634615 Zn\n0.022116 0.314231 0.365385 Zn\n0.700910 0.902367 0.421930 Zn\n0.200910 0.597633 0.578070 Zn\n0.558306 0.413215 0.798237 P\n0.723139 0.797869 0.998513 P\n0.427006 0.327180 0.303061 P\n0.058306 0.086785 0.201763 P\n0.941694 0.586785 0.298237 P\n0.441694 0.913215 0.701763 P\n0.072994 0.672820 0.803061 P\n0.905110 0.691200 0.505321 P\n0.594890 0.308800 0.005321 P\n0.223139 0.702131 0.001487 P\n0.276861 0.297869 0.501487 P\n0.405110 0.808800 0.494679 P\n0.927006 0.172820 0.696939 P\n0.776861 0.202131 0.498513 P\n0.572994 0.827180 0.196939 P\n0.094890 0.191200 0.994679 P\n0.736728 0.089674 0.428297 O\n0.439048 0.897649 0.198001 O\n0.555636 0.808116 0.488850 O\n0.144161 0.120507 0.099222 O\n0.173236 0.617334 0.727114 O\n0.673236 0.882666 0.272886 O\n0.662202 0.267147 0.555003 O\n0.263272 0.589674 0.071703 O\n0.128115 0.632884 0.915997 O\n0.143693 0.805961 0.057144 O\n0.445804 0.178904 0.296669 O\n0.060952 0.102351 0.698001 O\n0.763272 0.910326 0.928297 O\n0.054196 0.821096 0.796669 O\n0.356307 0.194039 0.557144 O\n0.644161 0.379493 0.900778 O\n0.658345 0.477027 0.726844 O\n0.854576 0.832528 0.498811 O\n0.945804 0.321096 0.703331 O\n0.145424 0.332528 0.001189 O\n0.055636 0.691884 0.511150 O\n0.855839 0.620507 0.400778 O\n0.841655 0.522973 0.226844 O\n0.944364 0.191884 0.988850 O\n0.165526 0.114735 0.910625 O\n0.939048 0.602351 0.801999 O\n0.371885 0.367116 0.415997 O\n0.053926 0.495278 0.330060 O\n0.665526 0.385265 0.089375 O\n0.334474 0.885265 0.410625 O\n0.326764 0.382666 0.227114 O\n0.643693 0.694039 0.942856 O\n0.834474 0.614735 0.589375 O\n0.497534 0.285912 0.760171 O\n0.871885 0.132884 0.584003 O\n0.997534 0.214088 0.239829 O\n0.341655 0.977027 0.773156 O\n0.158345 0.022973 0.273156 O\n0.355839 0.879493 0.599222 O\n0.645424 0.167472 0.998811 O\n0.502466 0.785912 0.739829 O\n0.837798 0.732853 0.055003 O\n0.446074 0.504722 0.830060 O\n0.553926 0.004722 0.669940 O\n0.444364 0.308116 0.011150 O\n0.354576 0.667472 0.501189 O\n0.946074 0.995278 0.169940 O\n0.826764 0.117334 0.772886 O\n0.856307 0.305961 0.442856 O\n0.002466 0.714088 0.260171 O\n0.162202 0.232853 0.444997 O\n0.236728 0.410326 0.571703 O\n0.560952 0.397649 0.301999 O\n0.554196 0.678904 0.203331 O\n0.337798 0.767147 0.944997 O\n0.628115 0.867116 0.084003 O\n",
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},
{
"id": "mp-755096",
"created_at": "2022-09-04T14:45:03.429841Z",
"structure_string": "Li4 Ti2 Ni2 O8\n1.0\n-0.000069 1.550707 -2.539339\n1.848734 8.242632 5.033630\n5.129382 -0.005009 -0.003222\nLi Ti Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.000000 0.750001 0.750000 Ti\n0.000000 0.249999 0.250000 Ti\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000011 0.129208 0.598669 O\n0.000011 0.629208 0.098673 O\n0.999989 0.870792 0.401331 O\n0.999989 0.370792 0.901327 O\n0.500012 0.863340 0.866573 O\n0.500012 0.363341 0.366572 O\n0.499988 0.136660 0.133427 O\n0.499988 0.636660 0.633428 O\n",
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{
"id": "mp-776332",
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"structure_string": "Na8 B40 H40\n1.0\n13.342207 0.000000 0.000000\n0.000000 6.743437 0.000000\n0.000000 6.075775 10.664060\nNa B H\n8 40 40\ndirect\n0.339398 0.827681 0.498311 Na\n0.121805 0.231327 0.506288 Na\n0.839398 0.172319 0.001689 Na\n0.621805 0.768673 0.993712 Na\n0.378195 0.231327 0.006288 Na\n0.160602 0.827681 0.998311 Na\n0.878195 0.768673 0.493712 Na\n0.660602 0.172319 0.501689 Na\n0.085107 0.739271 0.577534 B\n0.663655 0.713744 0.605631 B\n0.168440 0.519842 0.622801 B\n0.547806 0.613359 0.664437 B\n0.647202 0.430336 0.664921 B\n0.178581 0.734552 0.673272 B\n0.036950 0.473145 0.672061 B\n0.047077 0.687457 0.722542 B\n0.633261 0.734085 0.734376 B\n0.733934 0.548167 0.734546 B\n0.233934 0.451833 0.765454 B\n0.133261 0.265915 0.765624 B\n0.547077 0.312543 0.777458 B\n0.536950 0.526855 0.827939 B\n0.678581 0.265448 0.826728 B\n0.147202 0.569664 0.835079 B\n0.047806 0.386641 0.835563 B\n0.668440 0.480158 0.877199 B\n0.163655 0.286256 0.894369 B\n0.585107 0.260729 0.922466 B\n0.414893 0.739271 0.077534 B\n0.836345 0.713744 0.105631 B\n0.331560 0.519842 0.122801 B\n0.952194 0.613359 0.164437 B\n0.852798 0.430336 0.164921 B\n0.321419 0.734552 0.173272 B\n0.463050 0.473145 0.172061 B\n0.452923 0.687457 0.222542 B\n0.866739 0.734085 0.234376 B\n0.766066 0.548167 0.234546 B\n0.266066 0.451833 0.265454 B\n0.366739 0.265915 0.265624 B\n0.952923 0.312543 0.277458 B\n0.963050 0.526855 0.327939 B\n0.821419 0.265448 0.326728 B\n0.352798 0.569664 0.335079 B\n0.452194 0.386641 0.335563 B\n0.831560 0.480158 0.377199 B\n0.336345 0.286256 0.394369 B\n0.914893 0.260729 0.422466 B\n0.312802 0.152727 0.499974 H\n0.937565 0.117324 0.526807 H\n0.212891 0.499713 0.543189 H\n0.476916 0.689913 0.596178 H\n0.665343 0.356200 0.597140 H\n0.967258 0.401385 0.639205 H\n0.234390 0.893353 0.645454 H\n0.823609 0.564505 0.732441 H\n0.985972 0.804620 0.735545 H\n0.634496 0.913519 0.733808 H\n0.134496 0.086481 0.766192 H\n0.323609 0.435495 0.767559 H\n0.485972 0.195380 0.764455 H\n0.467258 0.598615 0.860795 H\n0.734390 0.106647 0.854546 H\n0.976916 0.310087 0.903822 H\n0.165343 0.643800 0.902860 H\n0.712891 0.500287 0.956811 H\n0.187198 0.152727 0.999974 H\n0.562435 0.117324 0.026807 H\n0.437565 0.882676 0.973193 H\n0.812802 0.847273 0.000026 H\n0.287109 0.499713 0.043189 H\n0.834657 0.356200 0.097140 H\n0.023084 0.689913 0.096178 H\n0.265610 0.893353 0.145454 H\n0.532742 0.401385 0.139205 H\n0.514028 0.804620 0.235545 H\n0.676391 0.564505 0.232441 H\n0.865504 0.913519 0.233808 H\n0.365504 0.086481 0.266192 H\n0.014028 0.195380 0.264455 H\n0.176391 0.435495 0.267559 H\n0.765610 0.106647 0.354546 H\n0.032742 0.598615 0.360795 H\n0.334657 0.643800 0.402860 H\n0.523084 0.310087 0.403822 H\n0.787109 0.500287 0.456811 H\n0.062435 0.882676 0.473193 H\n0.687198 0.847273 0.500026 H\n",
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{
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