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"id": "jvasp-64622",
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"structure_string": "Ba4 Nb1 Co1\n1.0\n0.000000 4.887629 4.887629\n4.887629 -0.000000 4.887629\n4.887629 4.887629 0.000000\nBa Nb Co\n4 1 1\ndirect\n0.125561 0.624813 0.624813 Ba\n0.624813 0.624813 0.624813 Ba\n0.624813 0.125561 0.624813 Ba\n0.624813 0.624813 0.125561 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Co\n",
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{
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"structure_string": "Ba4 Nb1 Cd1\n1.0\n-0.000000 4.988883 4.988883\n4.988883 0.000000 4.988883\n4.988883 4.988883 0.000000\nBa Nb Cd\n4 1 1\ndirect\n0.124582 0.625139 0.625139 Ba\n0.625139 0.625139 0.625139 Ba\n0.625139 0.124582 0.625139 Ba\n0.625139 0.625139 0.124582 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-64872",
"created_at": "2022-09-04T14:38:18.576805Z",
"updated_at": "2022-09-04T14:38:18.576835Z",
"structure_string": "Ba4 Nb1 Br1\n1.0\n0.000000 5.085319 5.085319\n5.085319 -0.000000 5.085319\n5.085319 5.085319 -0.000000\nBa Nb Br\n4 1 1\ndirect\n0.123870 0.625377 0.625377 Ba\n0.625377 0.625377 0.625377 Ba\n0.625377 0.123870 0.625377 Ba\n0.625377 0.625377 0.123870 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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{
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"created_at": "2022-09-04T14:35:42.196432Z",
"updated_at": "2022-09-04T14:35:42.196457Z",
"structure_string": "Ba4 Nb1 Bi1\n1.0\n-0.000000 4.981021 4.981021\n4.981021 0.000000 4.981021\n4.981021 4.981021 -0.000000\nBa Nb Bi\n4 1 1\ndirect\n0.126571 0.624476 0.624476 Ba\n0.624476 0.624476 0.624476 Ba\n0.624476 0.126571 0.624476 Ba\n0.624476 0.624476 0.126571 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Bi\n",
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{
"id": "jvasp-10876",
"created_at": "2022-09-04T14:36:32.176366Z",
"updated_at": "2022-09-04T14:36:32.176392Z",
"structure_string": "Ba4 Na8\n1.0\n3.615046 -6.261444 0.000000\n3.615046 6.261444 0.000000\n0.000000 0.000000 11.676010\nBa Na\n4 8\ndirect\n0.666667 0.333334 0.560628 Ba\n0.333334 0.666667 0.060628 Ba\n0.333334 0.666667 0.439372 Ba\n0.666667 0.333334 0.939372 Ba\n0.830693 0.661385 0.250000 Na\n0.661385 0.830693 0.750000 Na\n0.169308 0.830693 0.750000 Na\n0.830693 0.169308 0.250000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.169308 0.338616 0.750000 Na\n0.338616 0.169308 0.250000 Na\n",
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{
"id": "jvasp-122491",
"created_at": "2022-09-04T14:38:54.367225Z",
"updated_at": "2022-09-04T14:38:54.367258Z",
"structure_string": "Ba4 Na4 V4 S16\n1.0\n9.428956 0.000000 0.000000\n-0.000000 6.137399 2.170412\n-0.000000 0.050970 12.188568\nBa Na V S\n4 4 4 16\ndirect\n0.882115 0.377103 0.344543 Ba\n0.617886 0.377103 0.844544 Ba\n0.117885 0.622897 0.655457 Ba\n0.382115 0.622897 0.155456 Ba\n0.121442 0.226387 0.022073 Na\n0.378558 0.226387 0.522073 Na\n0.878559 0.773613 0.977927 Na\n0.621442 0.773613 0.477927 Na\n0.117432 0.879094 0.316283 V\n0.382568 0.879094 0.816283 V\n0.882568 0.120906 0.683717 V\n0.617433 0.120906 0.183717 V\n0.330634 0.218231 0.766510 S\n0.169366 0.218231 0.266510 S\n0.064413 0.790970 0.164055 S\n0.435587 0.790970 0.664055 S\n0.935587 0.209030 0.835945 S\n0.564413 0.209030 0.335945 S\n0.432133 0.179709 0.075280 S\n0.705717 0.319408 0.591622 S\n0.567868 0.820291 0.924720 S\n0.932133 0.820291 0.424720 S\n0.294284 0.680592 0.408378 S\n0.205716 0.680592 0.908378 S\n0.830634 0.781769 0.733490 S\n0.794284 0.319408 0.091622 S\n0.067868 0.179709 0.575280 S\n0.669366 0.781769 0.233490 S\n",
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"density_atomic": 0.03975576407824422,
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"formula_full": "Ba4 Na4 V4 S16",
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{
"id": "jvasp-121337",
"created_at": "2022-09-04T14:38:53.013183Z",
"updated_at": "2022-09-04T14:38:53.013212Z",
"structure_string": "Ba4 Na4 P4 O16\n1.0\n5.427865 0.000000 0.000000\n0.000000 7.858168 0.000000\n-0.000000 0.000000 10.053323\nBa Na P O\n4 4 4 16\ndirect\n0.250000 0.973634 0.189434 Ba\n0.749999 0.026367 0.810566 Ba\n0.749999 0.526367 0.689434 Ba\n0.250000 0.473633 0.310566 Ba\n0.250000 0.617748 0.944312 Na\n0.749999 0.382253 0.055687 Na\n0.749999 0.882253 0.444313 Na\n0.250000 0.117747 0.555687 Na\n0.250000 0.253463 0.930135 P\n0.749999 0.746538 0.069865 P\n0.749999 0.246538 0.430135 P\n0.250000 0.753463 0.569865 P\n0.749999 0.710172 0.916806 O\n0.250000 0.289828 0.083193 O\n0.250000 0.057809 0.904864 O\n0.749999 0.942191 0.095136 O\n0.749999 0.442191 0.404864 O\n0.250000 0.557809 0.595135 O\n0.515240 0.663920 0.129546 O\n0.984759 0.163920 0.370454 O\n0.484759 0.836080 0.629546 O\n0.015240 0.336080 0.870454 O\n0.515240 0.163920 0.370454 O\n0.984759 0.663920 0.129546 O\n0.749999 0.210172 0.583193 O\n0.015240 0.836080 0.629546 O\n0.484759 0.336080 0.870454 O\n0.250000 0.789828 0.416806 O\n",
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"volume": 428.8051404341615,
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"formula_full": "Ba4 Na4 P4 O16",
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{
"id": "jvasp-52551",
"created_at": "2022-09-04T14:37:51.782171Z",
"updated_at": "2022-09-04T14:37:51.782192Z",
"structure_string": "Ba4 Na4 O6\n1.0\n0.000000 5.758842 -0.032581\n5.614648 0.000000 0.000000\n0.000000 -2.323149 -8.177828\nBa Na O\n4 4 6\ndirect\n0.692759 0.469923 0.333294 Ba\n0.807241 0.969923 0.666706 Ba\n0.192759 0.030077 0.333294 Ba\n0.307241 0.530077 0.666706 Ba\n0.184004 0.639358 0.072340 Na\n0.684004 0.860643 0.072340 Na\n0.315995 0.139358 0.927660 Na\n0.815995 0.360643 0.927660 Na\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.667196 -0.022548 0.332745 O\n0.167196 0.522549 0.332745 O\n0.832804 0.477452 0.667255 O\n0.332804 0.022548 0.667255 O\n",
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"updated_at": "2022-09-04T14:38:52.119228Z",
"structure_string": "Ba4 Na2 W2 O11\n1.0\n5.931651 0.027486 0.000000\n-0.090023 5.931032 0.000000\n-0.000000 -0.000000 8.592218\nBa Na W O\n4 2 2 11\ndirect\n0.013078 0.478369 0.276738 Ba\n0.013078 0.478369 0.723263 Ba\n0.521631 0.986922 0.276738 Ba\n0.521631 0.986922 0.723263 Ba\n0.513248 0.486752 0.500000 Na\n0.985074 0.014927 -0.000000 Na\n0.505435 0.494565 -0.000000 W\n0.019439 0.980561 0.500000 W\n0.721793 0.278207 -0.000000 O\n0.492542 0.507459 0.223534 O\n0.492542 0.507459 0.776466 O\n0.022016 0.977984 0.730334 O\n0.785875 0.214126 0.500000 O\n0.242584 0.219510 0.500000 O\n0.780490 0.757417 0.500000 O\n0.609703 0.794214 -0.000000 O\n0.245780 0.754220 0.500000 O\n0.022016 0.977984 0.269666 O\n0.205786 0.390297 -0.000000 O\n",
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{
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"structure_string": "Ba4 Na2 Ni6 O12\n1.0\n6.686668 -0.000935 -2.080712\n-2.801098 6.071687 -2.080712\n0.017086 0.026695 8.377663\nBa Na Ni O\n4 2 6 12\ndirect\n0.770936 0.229064 0.000001 Ba\n0.750000 0.249999 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.229063 0.770936 0.000000 Ba\n0.330311 0.330311 0.660622 Na\n0.669690 0.669687 0.339377 Na\n0.694344 0.694343 0.000001 Ni\n0.305657 0.305657 0.000000 Ni\n0.006321 0.006319 0.712684 Ni\n0.293635 0.293635 0.287315 Ni\n0.706364 0.706363 0.712684 Ni\n0.993679 0.993679 0.287315 Ni\n0.499051 0.276808 0.189430 O\n0.702265 0.926484 0.628750 O\n0.297735 0.073516 0.371250 O\n0.309621 0.087378 0.810569 O\n0.276810 0.499052 0.189431 O\n0.912621 0.690379 0.189431 O\n0.500949 0.723190 0.810570 O\n0.690379 0.912620 0.189430 O\n0.723191 0.500948 0.810571 O\n0.087380 0.309621 0.810570 O\n0.926484 0.702264 0.628749 O\n0.073516 0.297736 0.371250 O\n",
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}