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{
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{
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{
"id": "mp-1211639",
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"structure_string": "Li4 Ca44 Sb36\n1.0\n11.961360 0.000000 0.000000\n0.000000 11.961360 0.000000\n0.000000 0.000000 17.297400\nLi Ca Sb\n4 44 36\ndirect\n0.096540 0.096540 0.000000 Li\n0.903460 0.903460 0.000000 Li\n0.403460 0.596540 0.500000 Li\n0.596540 0.403460 0.500000 Li\n0.292834 0.292834 0.000000 Ca\n0.707166 0.707166 0.000000 Ca\n0.207166 0.792834 0.500000 Ca\n0.792834 0.207166 0.500000 Ca\n0.174918 0.825082 0.000000 Ca\n0.825082 0.174918 0.000000 Ca\n0.674918 0.674918 0.500000 Ca\n0.325082 0.325082 0.500000 Ca\n0.014705 0.249657 0.186573 Ca\n0.985295 0.750343 0.813427 Ca\n0.985295 0.750343 0.186573 Ca\n0.250343 0.514705 0.686573 Ca\n0.485295 0.749657 0.313427 Ca\n0.014705 0.249657 0.813427 Ca\n0.749657 0.485295 0.313427 Ca\n0.514705 0.250343 0.686573 Ca\n0.749657 0.485295 0.686573 Ca\n0.514705 0.250343 0.313427 Ca\n0.250343 0.514705 0.313427 Ca\n0.485295 0.749657 0.686573 Ca\n0.249657 0.014705 0.813427 Ca\n0.750343 0.985295 0.186573 Ca\n0.750343 0.985295 0.813427 Ca\n0.249657 0.014705 0.186573 Ca\n0.000000 0.000000 0.343049 Ca\n0.000000 0.000000 0.656951 Ca\n0.500000 0.500000 0.843049 Ca\n0.500000 0.500000 0.156951 Ca\n0.019307 0.342859 0.395775 Ca\n0.980693 0.657141 0.604225 Ca\n0.980693 0.657141 0.395775 Ca\n0.157141 0.519307 0.895775 Ca\n0.480693 0.842859 0.104225 Ca\n0.019307 0.342859 0.604225 Ca\n0.842859 0.480693 0.104225 Ca\n0.519307 0.157141 0.895775 Ca\n0.842859 0.480693 0.895775 Ca\n0.519307 0.157141 0.104225 Ca\n0.157141 0.519307 0.104225 Ca\n0.480693 0.842859 0.895775 Ca\n0.342859 0.019307 0.604225 Ca\n0.657141 0.980693 0.395775 Ca\n0.657141 0.980693 0.604225 Ca\n0.342859 0.019307 0.395775 Ca\n0.032000 0.333261 0.000000 Sb\n0.968000 0.666739 0.000000 Sb\n0.166739 0.532000 0.500000 Sb\n0.468000 0.833261 0.500000 Sb\n0.833261 0.468000 0.500000 Sb\n0.532000 0.166739 0.500000 Sb\n0.333261 0.032000 0.000000 Sb\n0.666739 0.968000 0.000000 Sb\n0.314694 0.314694 0.176944 Sb\n0.685306 0.685306 0.823056 Sb\n0.685306 0.685306 0.176944 Sb\n0.185306 0.814694 0.676944 Sb\n0.185306 0.814694 0.323056 Sb\n0.314694 0.314694 0.823056 Sb\n0.814694 0.185306 0.323056 Sb\n0.814694 0.185306 0.676944 Sb\n0.223079 0.223079 0.321772 Sb\n0.776921 0.776921 0.678228 Sb\n0.776921 0.776921 0.321772 Sb\n0.276921 0.723079 0.821772 Sb\n0.276921 0.723079 0.178228 Sb\n0.223079 0.223079 0.678228 Sb\n0.723079 0.276921 0.178228 Sb\n0.723079 0.276921 0.821772 Sb\n0.000000 0.500000 0.250000 Sb\n0.000000 0.500000 0.750000 Sb\n0.500000 0.000000 0.250000 Sb\n0.500000 0.000000 0.750000 Sb\n0.000000 0.000000 0.133523 Sb\n0.000000 0.000000 0.866477 Sb\n0.500000 0.500000 0.633523 Sb\n0.500000 0.500000 0.366477 Sb\n0.375472 0.624528 0.000000 Sb\n0.624528 0.375472 0.000000 Sb\n0.875472 0.875472 0.500000 Sb\n0.124528 0.124528 0.500000 Sb\n",
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"elements": [
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"density": 4.142980409842396,
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"volume": 2474.810509012151,
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"formula_full": "Li4 Ca44 Sb36",
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"updated_at": "2021-11-28T01:34:56.136000Z",
"spacegroup": 136
},
{
"id": "mp-505663",
"created_at": "2022-09-04T14:40:16.502855Z",
"structure_string": "Cs2 Ti4 Cl14\n1.0\n11.415826 0.000000 0.000000\n0.000000 6.811247 0.000000\n0.000000 0.639020 7.555069\nCs Ti Cl\n2 4 14\ndirect\n0.750000 0.058992 0.629216 Cs\n0.250000 0.941008 0.370784 Cs\n0.885607 0.417046 0.125884 Ti\n0.385607 0.582954 0.874116 Ti\n0.114393 0.582954 0.874116 Ti\n0.614393 0.417046 0.125884 Ti\n0.750000 0.560151 0.895299 Cl\n0.250000 0.439849 0.104701 Cl\n0.750000 0.547978 0.339434 Cl\n0.250000 0.452022 0.660566 Cl\n0.750000 0.132626 0.130185 Cl\n0.250000 0.867374 0.869815 Cl\n0.001803 0.279442 0.894255 Cl\n0.501803 0.720558 0.105745 Cl\n0.998197 0.720558 0.105745 Cl\n0.498197 0.279442 0.894255 Cl\n0.995294 0.260299 0.351548 Cl\n0.495294 0.739701 0.648452 Cl\n0.004706 0.739701 0.648452 Cl\n0.504706 0.260299 0.351548 Cl\n",
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"volume": 587.4520252101222,
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"formula_full": "Cs2 Ti4 Cl14",
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{
"id": "mp-1147685",
"created_at": "2022-09-04T14:40:16.512666Z",
"structure_string": "Li20 Zn2 P8 S32\n1.0\n7.921570 0.000000 0.000000\n0.000000 12.399136 0.000000\n0.000000 12.391856 12.947492\nLi Zn P S\n20 2 8 32\ndirect\n0.243967 0.335995 0.161381 Li\n0.252307 0.850190 0.151540 Li\n0.247256 0.851062 0.647285 Li\n0.246301 0.334120 0.660953 Li\n0.247605 0.909627 0.346611 Li\n0.255943 0.402784 0.343136 Li\n0.275540 0.907347 0.844252 Li\n0.724460 0.907347 0.344252 Li\n0.744057 0.402784 0.843136 Li\n0.752395 0.909627 0.846611 Li\n0.753699 0.334120 0.160953 Li\n0.752744 0.851062 0.147285 Li\n0.747693 0.850190 0.651540 Li\n0.756033 0.335995 0.661381 Li\n0.995720 0.167561 0.077325 Li\n0.013636 0.674325 0.072369 Li\n0.986364 0.674325 0.572369 Li\n0.004280 0.167561 0.577325 Li\n0.489139 0.568436 0.424188 Li\n0.510861 0.568436 0.924188 Li\n0.256682 0.401756 0.845370 Zn\n0.743318 0.401756 0.345370 Zn\n0.990734 0.088668 0.406272 P\n0.998440 0.587887 0.408978 P\n0.001560 0.587887 0.908978 P\n0.009266 0.088668 0.906272 P\n0.492190 0.163690 0.089230 P\n0.501430 0.656775 0.094162 P\n0.498570 0.656775 0.594162 P\n0.507810 0.163690 0.589230 P\n0.000447 0.385730 0.059146 S\n0.006258 0.887611 0.059294 S\n0.993742 0.887611 0.559294 S\n0.999553 0.385730 0.559146 S\n0.987020 0.763591 0.398765 S\n0.994763 0.264165 0.403723 S\n0.005237 0.264165 0.903723 S\n0.012980 0.763591 0.898765 S\n0.211415 0.109210 0.341291 S\n0.209367 0.608423 0.333621 S\n0.221563 0.604815 0.835130 S\n0.226931 0.106095 0.840418 S\n0.279506 0.034475 0.163904 S\n0.287634 0.527369 0.164246 S\n0.278232 0.524454 0.668554 S\n0.292815 0.035118 0.659818 S\n0.496545 0.323430 0.095042 S\n0.501568 0.819161 0.093646 S\n0.498432 0.819161 0.593646 S\n0.503455 0.323430 0.595042 S\n0.484397 0.742867 0.446382 S\n0.505097 0.252830 0.439639 S\n0.494903 0.252830 0.939639 S\n0.515603 0.742867 0.946382 S\n0.707185 0.035118 0.159818 S\n0.721768 0.524454 0.168554 S\n0.712366 0.527369 0.664246 S\n0.720494 0.034475 0.663904 S\n0.773069 0.106095 0.340418 S\n0.778437 0.604815 0.335130 S\n0.790633 0.608423 0.833621 S\n0.788585 0.109210 0.841291 S\n",
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{
"id": "mp-1235123",
"created_at": "2022-09-04T14:40:16.519293Z",
"structure_string": "Cs1 Li1 Ta1 P2 O8\n1.0\n5.342653 -0.120469 0.403434\n2.420274 4.517664 0.197110\n0.257565 -0.194027 8.244298\nCs Li Ta P O\n1 1 1 2 8\ndirect\n0.040495 0.982194 0.529083 Cs\n0.519948 0.192391 0.381014 Li\n0.974468 0.004621 0.997034 Ta\n0.593451 0.676322 0.188873 P\n0.365635 0.348492 0.794266 P\n0.765253 0.762764 0.054936 O\n0.218760 0.684977 0.827850 O\n0.383916 0.296427 0.610468 O\n0.276745 0.809593 0.153341 O\n0.712441 0.332027 0.188225 O\n0.199133 0.213656 0.899201 O\n0.605607 0.787172 0.355852 O\n0.669148 0.221864 0.848427 O\n",
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"formula_full": "Cs1 Li1 Ta1 P2 O8",
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{
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"structure_string": "Tb1 Cu2 Si2\n1.0\n-1.988775 1.988775 4.984969\n1.988775 -1.988775 4.984969\n1.988775 1.988775 -4.984969\nTb Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.617990 0.617990 0.000000 Si\n0.382010 0.382010 0.000000 Si\n",
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{
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"structure_string": "Na6 Sn2 P2 C2 O14\n1.0\n7.051150 0.000000 0.000000\n0.000000 5.433186 0.000000\n0.000000 0.479573 9.385696\nNa Sn P C O\n6 2 2 2 14\ndirect\n0.524265 0.007481 0.015832 Na\n0.802584 0.496762 0.171428 Na\n0.522064 0.476234 0.489323 Na\n0.022064 0.523766 0.510677 Na\n0.302584 0.503238 0.828572 Na\n0.024265 0.992519 0.984168 Na\n0.248270 0.053017 0.315967 Sn\n0.748270 0.946983 0.684033 Sn\n0.761067 0.002571 0.326484 P\n0.261067 0.997429 0.673516 P\n0.259513 0.500264 0.143110 C\n0.759513 0.499736 0.856890 C\n0.275664 0.704206 0.068572 O\n0.234730 0.292475 0.080733 O\n0.885229 0.919743 0.202830 O\n0.559000 0.072103 0.263219 O\n0.267053 0.489361 0.282951 O\n0.838800 0.238030 0.392764 O\n0.747162 0.785436 0.441729 O\n0.247162 0.214564 0.558271 O\n0.338800 0.761970 0.607236 O\n0.767053 0.510639 0.717049 O\n0.059000 0.927897 0.736781 O\n0.385229 0.080257 0.797170 O\n0.734730 0.707525 0.919267 O\n0.775664 0.295794 0.931428 O\n",
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{
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}