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{
"count": 55712,
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"results": [
{
"id": "jvasp-43844",
"created_at": "2022-09-04T14:35:50.991346Z",
"updated_at": "2022-09-04T14:35:50.991368Z",
"structure_string": "Li4 Ti3 V5 O16\n1.0\n5.841251 -0.007233 0.020136\n-2.914424 5.063171 0.014540\n-0.033337 -0.101711 9.539438\nLi Ti V O\n4 3 5 16\ndirect\n0.330511 0.661025 0.105128 Li\n0.005198 0.010484 0.006589 Li\n0.001681 0.003307 0.502152 Li\n0.664933 0.329910 0.604913 Li\n0.164258 0.822954 0.782858 Ti\n0.658631 0.823027 0.782824 Ti\n0.830001 0.659980 0.279222 Ti\n0.346408 0.165526 0.290064 V\n0.819126 0.165513 0.290070 V\n0.661856 0.323746 0.012250 V\n0.169784 0.339594 0.790529 V\n0.329003 0.658017 0.508722 V\n0.335188 0.173639 0.899867 O\n0.671461 0.342902 0.402764 O\n0.959917 0.479610 0.159068 O\n0.519691 0.479614 0.159068 O\n0.166719 0.333425 0.398131 O\n0.837337 0.674737 0.900130 O\n0.481323 0.517968 0.659364 O\n0.480201 0.960458 0.661140 O\n0.665082 0.834708 0.400592 O\n0.001794 0.003582 0.191091 O\n-0.000782 -0.001531 0.686859 O\n0.338984 0.678002 0.900154 O\n0.516741 0.033482 0.158808 O\n0.169643 0.834706 0.400585 O\n0.036603 0.517961 0.659366 O\n0.838412 0.173660 0.899858 O\n",
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{
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"structure_string": "Li4 V3 Fe5 O16\n1.0\n5.594040 -0.056416 -0.036986\n2.726034 4.871071 -0.065302\n0.109758 0.016556 9.618277\nLi V Fe O\n4 3 5 16\ndirect\n0.664181 0.665744 0.898044 Li\n0.004205 0.001945 0.994117 Li\n0.009876 -0.001689 0.492655 Li\n0.332412 0.340644 0.390344 Li\n0.809804 0.815796 0.218306 V\n0.170006 0.638383 0.716056 V\n0.643325 0.166073 0.714274 V\n0.338584 0.333812 0.004033 Fe\n0.182235 0.178599 0.710884 Fe\n0.830530 0.348144 0.213358 Fe\n0.661066 0.653121 0.496244 Fe\n0.342187 0.835051 0.211680 Fe\n0.160431 0.677575 0.104996 O\n0.341132 0.335542 0.588222 O\n0.483643 0.031638 0.840622 O\n0.029515 0.484543 0.839931 O\n0.836103 0.830993 0.604011 O\n0.165592 0.163930 0.108669 O\n0.969287 0.522049 0.340487 O\n0.515830 0.527558 0.328930 O\n0.844553 0.318360 0.605885 O\n0.002642 0.001873 0.806314 O\n-0.002892 0.005177 0.306103 O\n0.663769 0.663262 0.094043 O\n0.484526 0.486036 0.831904 O\n0.325731 0.838265 0.605330 O\n0.512430 0.977932 0.336580 O\n0.678997 0.159945 0.105815 O\n",
"nsites": 28,
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],
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"density_atomic": 0.1062248225015758,
"volume": 263.5918737316283,
"volume_molar": 5.669240595728616,
"formula_full": "Li4 V3 Fe5 O16",
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{
"id": "jvasp-43767",
"created_at": "2022-09-04T14:35:41.661930Z",
"updated_at": "2022-09-04T14:35:41.661966Z",
"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n5.840694 -0.022527 0.016862\n-2.939856 5.091965 -0.000018\n0.027066 0.015599 9.505269\nLi Ti Cr O\n4 5 3 16\ndirect\n0.331493 0.665758 0.894888 Li\n0.993021 0.996513 0.993170 Li\n0.996840 0.998427 0.496861 Li\n0.669160 0.334593 0.399356 Li\n0.347510 0.173767 0.721665 Ti\n0.177383 0.834467 0.217349 Ti\n0.336143 0.668082 0.496709 Ti\n0.177381 0.342938 0.217347 Ti\n0.681256 0.340637 0.990840 Ti\n0.828417 0.168813 0.712836 Cr\n0.657060 0.828540 0.212249 Cr\n0.828416 0.659626 0.712836 Cr\n0.332071 0.166044 0.095774 O\n0.834579 0.667874 0.095943 O\n0.662995 0.331510 0.602720 O\n0.514558 0.034923 0.841598 O\n0.514559 0.479658 0.841600 O\n0.665224 0.832622 0.597073 O\n0.482514 0.518937 0.340569 O\n0.037313 0.518667 0.339750 O\n0.167359 0.333524 0.596236 O\n-0.003016 -0.001495 0.808115 O\n0.996324 0.998173 0.310755 O\n0.329058 0.664540 0.100988 O\n0.957909 0.478967 0.837864 O\n0.167359 0.833856 0.596237 O\n0.482516 0.963600 0.340570 O\n0.834580 0.166722 0.095940 O\n",
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"formula_full": "Li4 Ti5 Cr3 O16",
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{
"id": "jvasp-43809",
"created_at": "2022-09-04T14:35:45.567322Z",
"updated_at": "2022-09-04T14:35:45.567344Z",
"structure_string": "Li4 Ti5 Fe3 O16\n1.0\n-5.798190 -0.000065 0.000332\n2.898953 4.923639 -0.030716\n-0.000791 0.042391 -9.521583\nLi Ti Fe O\n4 5 3 16\ndirect\n0.330410 0.660836 0.108403 Li\n0.013121 0.026272 0.006934 Li\n0.004711 0.009448 0.505282 Li\n0.660653 0.321325 0.599911 Li\n0.823969 0.647949 0.276997 Ti\n0.159102 0.807642 0.782255 Ti\n0.330720 0.661454 0.499986 Ti\n0.648518 0.807646 0.782254 Ti\n0.654632 0.309291 0.006508 Ti\n0.825755 0.172627 0.287365 Fe\n0.179696 0.359416 0.787784 Fe\n0.346855 0.172628 0.287364 Fe\n0.834506 0.669037 0.907659 O\n0.336762 0.176741 0.900743 O\n0.664385 0.328793 0.399211 O\n0.966102 0.482625 0.158934 O\n0.516510 0.482628 0.158937 O\n0.165898 0.331822 0.394836 O\n0.481511 0.510407 0.654249 O\n0.479273 0.958577 0.663318 O\n0.667485 0.838029 0.403716 O\n0.006860 0.013732 0.194385 O\n0.004518 0.009064 0.694020 O\n0.339919 0.679858 0.906674 O\n0.518477 0.036966 0.165732 O\n0.170523 0.838028 0.403716 O\n0.028873 0.510408 0.654247 O\n0.839951 0.176741 0.900740 O\n",
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"formula_full": "Li4 Ti5 Fe3 O16",
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{
"id": "jvasp-119389",
"created_at": "2022-09-04T14:38:52.423430Z",
"updated_at": "2022-09-04T14:38:52.423454Z",
"structure_string": "Li4 Ti5 Co3 O16\n1.0\n5.733970 -0.027825 0.031761\n2.792439 5.008140 0.031761\n-0.000394 -0.000230 9.487742\nLi Ti Co O\n4 5 3 16\ndirect\n0.332817 0.332818 0.108759 Li\n0.011324 0.011324 0.007440 Li\n0.008111 0.008111 0.503805 Li\n0.663119 0.663120 0.598093 Li\n0.824497 0.824498 0.276348 Ti\n0.651032 0.159316 0.781123 Ti\n0.335269 0.335269 0.497820 Ti\n0.159316 0.651031 0.781123 Ti\n0.654294 0.654294 0.007654 Ti\n0.343541 0.833236 0.287616 Co\n0.174624 0.174623 0.788375 Co\n0.833235 0.343542 0.287616 Co\n0.832763 0.832764 0.904816 O\n0.827012 0.335409 0.905568 O\n0.665354 0.665355 0.396115 O\n0.517455 0.967977 0.159253 O\n0.967976 0.517456 0.159253 O\n0.169778 0.169778 0.396731 O\n0.031734 0.488911 0.652690 O\n0.481999 0.481999 0.664428 O\n0.171839 0.671593 0.403280 O\n0.006928 0.006928 0.194865 O\n0.004487 0.004487 0.693612 O\n0.335845 0.335845 0.901775 O\n0.521391 0.521392 0.170850 O\n0.671593 0.171840 0.403280 O\n0.488912 0.031734 0.652690 O\n0.335409 0.827012 0.905568 O\n",
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{
"id": "jvasp-43940",
"created_at": "2022-09-04T14:37:14.709012Z",
"updated_at": "2022-09-04T14:37:14.709030Z",
"structure_string": "Li3 V4 O7 F5\n1.0\n-4.952511 0.050732 0.722040\n2.298984 4.520460 -1.550241\n1.086206 -0.332220 -8.715070\nLi V O F\n3 4 7 5\ndirect\n0.799795 0.014016 0.602441 Li\n0.559890 0.279587 0.853460 Li\n0.437054 0.731271 0.138795 Li\n0.801547 0.241511 0.264028 V\n0.531574 0.506128 0.481223 V\n0.202563 0.705011 0.765061 V\n0.014104 0.018502 0.002764 V\n0.197968 0.432688 0.314042 O\n0.175621 0.828023 0.928037 O\n0.234507 0.379223 0.877701 O\n0.740566 0.875693 0.376116 O\n0.792474 0.158763 0.067291 O\n0.809371 0.573753 0.683004 O\n0.698061 0.320861 0.430441 O\n0.335981 0.706502 0.572075 F\n0.737737 0.611861 0.121800 F\n0.676669 0.957889 0.805192 F\n0.314970 0.048369 0.190870 F\n0.248920 0.140236 0.628399 F\n",
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"formula_full": "Li3 V4 O7 F5",
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{
"id": "jvasp-46875",
"created_at": "2022-09-04T14:38:06.833274Z",
"updated_at": "2022-09-04T14:38:06.833305Z",
"structure_string": "Li3 V4 O5 F7\n1.0\n5.728718 0.049403 0.002393\n-0.768426 5.604148 0.002440\n-0.880152 -1.198729 5.912820\nLi V O F\n3 4 5 7\ndirect\n0.591754 0.317202 0.141621 Li\n0.117517 0.589121 0.310406 Li\n0.635512 0.842420 0.355875 Li\n0.302764 0.155671 0.637047 V\n0.854201 0.405255 0.666478 V\n0.376106 0.679691 0.853739 V\n0.024666 -0.001612 0.996888 V\n0.188145 0.440948 0.580008 O\n0.034428 0.669802 0.883846 O\n0.572135 0.411942 0.797022 O\n0.969237 0.118911 0.720975 O\n0.334918 0.050802 0.938713 O\n0.589353 0.181505 0.414087 F\n0.809729 0.611115 0.443631 F\n0.458018 0.840893 0.601428 F\n0.930959 0.294045 0.136367 F\n0.384387 0.575518 0.154694 F\n0.129804 0.958633 0.324886 F\n0.696365 0.858134 0.042288 F\n",
"nsites": 19,
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"formula_full": "Li3 V4 O5 F7",
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{
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"created_at": "2022-09-04T14:36:03.604202Z",
"updated_at": "2022-09-04T14:36:03.604222Z",
"structure_string": "Na8 Li10 B6 O18\n1.0\n6.960258 -0.014297 1.862215\n3.110794 6.226424 1.862215\n0.017359 0.010708 9.785186\nNa Li B O\n8 10 6 18\ndirect\n0.879131 0.363658 0.483775 Na\n0.222907 0.333562 0.785179 Na\n0.666438 0.777092 0.714823 Na\n0.636342 0.120869 0.016226 Na\n0.333562 0.222907 0.285179 Na\n0.777093 0.666438 0.214823 Na\n0.363658 0.879130 0.983775 Na\n0.120870 0.636342 0.516227 Na\n0.985809 0.923178 0.139674 Li\n0.297779 0.517126 0.011544 Li\n0.482874 0.702221 0.488458 Li\n0.076821 0.014192 0.360328 Li\n0.721251 0.278749 0.250001 Li\n0.702222 0.482873 0.988458 Li\n0.923179 0.985807 0.639674 Li\n0.278749 0.721250 0.750001 Li\n0.014192 0.076821 0.860328 Li\n0.517127 0.297778 0.511544 Li\n0.917562 0.747478 0.904494 B\n0.747479 0.917561 0.404494 B\n0.082438 0.252521 0.095508 B\n0.252521 0.082438 0.595508 B\n0.394225 0.605774 0.250001 B\n0.605775 0.394225 0.750001 B\n0.708623 0.001218 0.263416 O\n0.001218 0.708622 0.763416 O\n0.206048 0.793951 0.250001 O\n0.466260 0.478665 0.144827 O\n0.521334 0.533740 0.355175 O\n0.033780 0.790411 0.977259 O\n0.478666 0.466259 0.644827 O\n0.793952 0.206048 0.750001 O\n0.277689 0.249567 0.028729 O\n0.750433 0.722310 0.471272 O\n0.291378 -0.001218 0.736585 O\n0.209589 0.966219 0.522743 O\n-0.001218 0.291377 0.236585 O\n0.533740 0.521334 0.855175 O\n0.966220 0.209588 0.022743 O\n0.790411 0.033780 0.477258 O\n0.722311 0.750432 0.971272 O\n0.249568 0.277689 0.528729 O\n",
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],
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"density": 2.372791303925185,
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"volume": 424.22236611074703,
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"formula_full": "Na8 Li10 B6 O18",
"formula_reduced": "Na4Li5(BO3)3",
"formula_anonymous": "A3B4C5D9",
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"spacegroup": 15
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{
"id": "jvasp-62610",
"created_at": "2022-09-04T14:36:02.507147Z",
"updated_at": "2022-09-04T14:36:02.507163Z",
"structure_string": "Y4 Fe3 B6\n1.0\n7.309614 -2.648657 -0.084602\n7.309614 2.648657 -0.084602\n6.401915 -0.000000 4.412310\nY Fe B\n4 3 6\ndirect\n0.742330 0.742330 0.742332 Y\n0.257669 0.257669 0.257669 Y\n0.590415 0.590415 0.590417 Y\n0.409583 0.409583 0.409584 Y\n0.000000 0.000000 0.000000 Fe\n0.891364 0.891364 0.891366 Fe\n0.108634 0.108634 0.108635 Fe\n0.832674 0.167324 0.500001 B\n0.167325 0.500000 0.832675 B\n0.499999 0.832674 0.167326 B\n0.167324 0.832674 0.500001 B\n0.832674 0.499999 0.167326 B\n0.500000 0.167325 0.832675 B\n",
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"formula_full": "Y4 Fe3 B6",
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{
"id": "jvasp-112245",
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