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{
"id": "mp-1219607",
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{
"id": "mp-557161",
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"structure_string": "Ba16 Fe12 S24 F16\n1.0\n6.251587 0.000000 0.000000\n0.000000 12.813743 0.000000\n0.000000 0.000000 19.115162\nBa Fe S F\n16 12 24 16\ndirect\n0.245291 0.000631 0.421271 Ba\n0.745291 0.499369 0.578729 Ba\n0.263669 0.750404 0.921389 Ba\n0.254709 0.500631 0.421271 Ba\n0.763669 0.749596 0.078611 Ba\n0.254709 0.500631 0.078729 Ba\n0.763669 0.749596 0.421389 Ba\n0.236331 0.250404 0.578611 Ba\n0.754709 0.999369 0.921271 Ba\n0.754709 0.999369 0.578729 Ba\n0.236331 0.250404 0.921389 Ba\n0.245291 0.000631 0.078729 Ba\n0.736331 0.249596 0.421389 Ba\n0.736331 0.249596 0.078611 Ba\n0.263669 0.750404 0.578611 Ba\n0.745291 0.499369 0.921271 Ba\n0.857269 0.048799 0.250000 Fe\n0.642731 0.548798 0.250000 Fe\n0.503310 0.875178 0.250000 Fe\n0.146494 0.702310 0.250000 Fe\n0.496690 0.124822 0.750000 Fe\n0.142731 0.951202 0.750000 Fe\n0.646494 0.797690 0.750000 Fe\n0.853506 0.297690 0.750000 Fe\n0.003310 0.624822 0.750000 Fe\n0.996690 0.375178 0.250000 Fe\n0.357269 0.451201 0.750000 Fe\n0.353506 0.202310 0.250000 Fe\n0.781359 0.728153 0.849153 S\n0.766490 0.972652 0.750000 S\n0.724654 0.978164 0.150884 S\n0.224654 0.521836 0.849116 S\n0.275346 0.021836 0.849116 S\n0.781359 0.728153 0.650847 S\n0.724654 0.978164 0.349116 S\n0.718641 0.228153 0.650847 S\n0.281359 0.771847 0.150847 S\n0.775346 0.478164 0.349116 S\n0.281359 0.771847 0.349153 S\n0.233510 0.027348 0.250000 S\n0.775346 0.478164 0.150884 S\n0.266490 0.527348 0.250000 S\n0.218641 0.271847 0.150847 S\n0.718641 0.228153 0.849153 S\n0.270388 0.777233 0.750000 S\n0.218641 0.271847 0.349153 S\n0.275346 0.021836 0.650884 S\n0.229612 0.277233 0.750000 S\n0.224654 0.521836 0.650884 S\n0.733510 0.472652 0.750000 S\n0.729612 0.222767 0.250000 S\n0.770388 0.722767 0.250000 S\n0.490777 0.125035 0.498724 F\n0.990777 0.374965 0.501276 F\n0.509162 0.625061 0.497874 F\n0.009162 0.874939 0.997874 F\n0.990838 0.125061 0.497874 F\n0.009162 0.874939 0.502126 F\n0.990838 0.125061 0.002126 F\n0.490838 0.374939 0.502126 F\n0.490838 0.374939 0.997874 F\n0.509223 0.874965 0.501276 F\n0.009223 0.625035 0.001276 F\n0.509223 0.874965 0.998724 F\n0.509162 0.625061 0.002126 F\n0.490777 0.125035 0.001276 F\n0.990777 0.374965 0.998724 F\n0.009223 0.625035 0.498724 F\n",
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"formula_full": "Ba16 Fe12 S24 F16",
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"updated_at": "2021-11-28T01:37:17.001000Z",
"spacegroup": 62
},
{
"id": "mp-1195190",
"created_at": "2022-09-04T14:43:17.026772Z",
"structure_string": "Ba16 Fe12 Se24 F16\n1.0\n6.493988 0.000000 0.000000\n0.000000 13.234045 0.000000\n0.000000 0.000000 19.495552\nBa Fe Se F\n16 12 24 16\ndirect\n0.266432 0.747809 0.573980 Ba\n0.233568 0.247809 0.926020 Ba\n0.733568 0.252191 0.073980 Ba\n0.766432 0.752191 0.426020 Ba\n0.733568 0.252191 0.426020 Ba\n0.766432 0.752191 0.073980 Ba\n0.266432 0.747809 0.926020 Ba\n0.233568 0.247809 0.573980 Ba\n0.755917 0.502589 0.574173 Ba\n0.744083 0.002589 0.925827 Ba\n0.244083 0.497411 0.074173 Ba\n0.255917 0.997411 0.425827 Ba\n0.244083 0.497411 0.425827 Ba\n0.255917 0.997411 0.074173 Ba\n0.755917 0.502589 0.925827 Ba\n0.744083 0.002589 0.574173 Ba\n0.647322 0.704359 0.750000 Fe\n0.852678 0.204359 0.750000 Fe\n0.352678 0.295641 0.250000 Fe\n0.147322 0.795641 0.250000 Fe\n0.504484 0.624526 0.250000 Fe\n0.995516 0.124526 0.250000 Fe\n0.495516 0.375474 0.750000 Fe\n0.004484 0.875474 0.750000 Fe\n0.142283 0.547304 0.750000 Fe\n0.357717 0.047304 0.750000 Fe\n0.857717 0.452696 0.250000 Fe\n0.642283 0.952696 0.250000 Fe\n0.267638 0.724554 0.750000 Se\n0.232362 0.224554 0.750000 Se\n0.732362 0.275446 0.250000 Se\n0.767638 0.775446 0.250000 Se\n0.762517 0.525498 0.750000 Se\n0.737483 0.025498 0.750000 Se\n0.237483 0.474502 0.250000 Se\n0.262517 0.974502 0.250000 Se\n0.781889 0.771529 0.854364 Se\n0.718111 0.271529 0.645636 Se\n0.218111 0.228471 0.354364 Se\n0.281889 0.728471 0.145636 Se\n0.218111 0.228471 0.145636 Se\n0.281889 0.728471 0.354364 Se\n0.781889 0.771529 0.645636 Se\n0.718111 0.271529 0.854364 Se\n0.273726 0.478695 0.645794 Se\n0.226274 0.978695 0.854206 Se\n0.726274 0.521305 0.145794 Se\n0.773726 0.021305 0.354206 Se\n0.726274 0.521305 0.354206 Se\n0.773726 0.021305 0.145794 Se\n0.273726 0.478695 0.854206 Se\n0.226274 0.978695 0.645794 Se\n0.511558 0.625294 0.501448 F\n0.988442 0.125294 0.998552 F\n0.488442 0.374706 0.001448 F\n0.011558 0.874706 0.498552 F\n0.488442 0.374706 0.498552 F\n0.011558 0.874706 0.001448 F\n0.511558 0.625294 0.998552 F\n0.988442 0.125294 0.501448 F\n0.510931 0.875100 0.498008 F\n0.989069 0.375100 0.001992 F\n0.489069 0.124900 0.998008 F\n0.010931 0.624900 0.501992 F\n0.489069 0.124900 0.501992 F\n0.010931 0.624900 0.998008 F\n0.510931 0.875100 0.001992 F\n0.989069 0.375100 0.498008 F\n",
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"volume": 1675.4814549060034,
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"formula_full": "Ba16 Fe12 Se24 F16",
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{
"id": "mp-1049241",
"created_at": "2022-09-04T14:44:10.458849Z",
"structure_string": "Ba6 Y3 Fe6 F33\n1.0\n3.961589 -6.861673 0.000000\n3.961589 6.861673 0.000000\n0.000000 0.000000 13.717726\nBa Y Fe F\n6 3 6 33\ndirect\n0.887013 0.857562 0.665039 Ba\n0.513155 0.187415 0.815606 Ba\n0.970548 0.112987 0.998373 Ba\n0.812585 0.325741 0.482273 Ba\n0.674259 0.486845 0.148939 Ba\n0.142438 0.029452 0.331706 Ba\n0.467664 0.672747 0.893004 Y\n0.205083 0.532336 0.226337 Y\n0.327253 0.794917 0.559670 Y\n0.966843 0.660959 0.886109 Fe\n0.105674 0.404900 0.723116 Fe\n0.595100 0.700774 0.389783 Fe\n0.694116 0.033157 0.219442 Fe\n0.299226 0.894326 0.056449 Fe\n0.339041 0.305884 0.552776 Fe\n0.007138 0.762571 0.030974 F\n0.840932 0.383282 0.927546 F\n0.755433 0.992862 0.364307 F\n0.423996 0.086869 0.491009 F\n0.898552 0.965652 0.178754 F\n0.285289 0.313256 0.191056 F\n0.913131 0.337127 0.157676 F\n0.686744 0.972033 0.857723 F\n0.067100 0.101448 0.512088 F\n0.590881 0.006283 0.074807 F\n0.662873 0.576004 0.824343 F\n0.237429 0.244567 0.697641 F\n0.651366 0.691057 0.009534 F\n0.364405 0.167918 0.007240 F\n0.039690 0.348634 0.342867 F\n0.616718 0.457650 0.594213 F\n0.291541 0.820207 0.902405 F\n0.415402 0.409119 0.408140 F\n0.327103 0.725914 0.393060 F\n0.308943 0.960310 0.676201 F\n0.398811 0.672897 0.726393 F\n0.832082 0.196486 0.673907 F\n0.803514 0.635595 0.340574 F\n0.528666 0.708459 0.235738 F\n0.993717 0.584598 0.741473 F\n0.034348 0.932900 0.845421 F\n0.542350 0.159068 0.260880 F\n0.201494 0.388505 0.868712 F\n0.187011 0.798506 0.202045 F\n0.274086 0.601189 0.059727 F\n0.027967 0.714711 0.524389 F\n0.179793 0.471334 0.569071 F\n0.611495 0.812989 0.535379 F\n",
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{
"id": "mp-1356655",
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"structure_string": "Ba4 Zn2 Fe4 F28\n1.0\n10.122517 0.000000 0.000000\n0.000000 5.737430 0.000000\n0.000000 0.698464 9.516159\nBa Zn Fe F\n4 2 4 28\ndirect\n0.542202 0.735261 0.497103 Ba\n0.049557 0.244124 0.005259 Ba\n0.950443 0.244124 0.505259 Ba\n0.457798 0.735261 0.997103 Ba\n0.143266 0.690677 0.694630 Zn\n0.856734 0.690677 0.194630 Zn\n0.850027 0.808811 0.811630 Fe\n0.631176 0.196491 0.192831 Fe\n0.149973 0.808811 0.311630 Fe\n0.368824 0.196491 0.692831 Fe\n0.707453 0.897741 0.131918 F\n0.307821 0.662219 0.367868 F\n0.963025 0.532125 0.752801 F\n0.555767 0.482803 0.241975 F\n0.698751 0.120420 0.366493 F\n0.064340 0.713996 0.501194 F\n0.033797 0.965467 0.753080 F\n0.205833 0.900253 0.124400 F\n0.692179 0.662219 0.867868 F\n0.444233 0.482803 0.741975 F\n0.292547 0.897741 0.631918 F\n0.827141 0.106192 0.880032 F\n0.514016 0.004742 0.742613 F\n0.208670 0.607912 0.885890 F\n0.794167 0.900253 0.624400 F\n0.301249 0.120420 0.866493 F\n0.485984 0.004742 0.242613 F\n0.172859 0.106192 0.380032 F\n0.719852 0.419730 0.579353 F\n0.206852 0.363670 0.641981 F\n0.280148 0.419730 0.079353 F\n0.966203 0.965467 0.253080 F\n0.791330 0.607912 0.385890 F\n0.561906 0.247910 0.018368 F\n0.438094 0.247910 0.518368 F\n0.935660 0.713996 0.001194 F\n0.793148 0.363670 0.141981 F\n0.036975 0.532125 0.252801 F\n",
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{
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{
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