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{
"id": "jvasp-28737",
"created_at": "2022-09-04T14:37:44.763471Z",
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"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223418 0.000000 0.000000\n-1.611709 2.791587 -0.000004\n0.000000 -0.000081 34.042421\nMo W Se S\n3 1 2 6\ndirect\n0.333306 0.666613 0.093382 Mo\n0.333337 0.666674 0.471944 Mo\n0.666678 0.333354 0.282679 Mo\n0.666683 0.333365 0.654908 W\n0.333347 0.666693 0.332935 Se\n0.333337 0.666675 0.232425 Se\n0.333345 0.666690 0.700842 S\n0.666643 0.333284 0.047700 S\n0.666672 0.333343 0.426207 S\n0.666640 0.333280 0.139124 S\n0.666672 0.333342 0.517660 S\n0.333347 0.666694 0.608940 S\n",
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{
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"structure_string": "Rb2 Hg1 Bi1 F6\n1.0\n5.862489 0.000000 3.384709\n1.954163 5.527208 3.384709\n0.000000 0.000000 6.769420\nRb Hg Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.764340 0.235660 0.235660 F\n0.235660 0.235660 0.764340 F\n0.235660 0.764340 0.764340 F\n0.235660 0.764340 0.235660 F\n0.764340 0.235660 0.764340 F\n0.764340 0.764340 0.235660 F\n",
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{
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"updated_at": "2022-09-04T14:37:58.920552Z",
"structure_string": "K2 Na1 Sb1 Br6\n1.0\n6.865758 -0.000000 3.963947\n2.288586 6.473099 3.963947\n-0.000000 -0.000000 7.927895\nK Na Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750991 0.249009 0.249009 Br\n0.249009 0.249009 0.750991 Br\n0.249009 0.750991 0.750991 Br\n0.249009 0.750991 0.249009 Br\n0.750991 0.249009 0.750991 Br\n0.750992 0.750991 0.249009 Br\n",
"nsites": 10,
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"formula_full": "K2 Na1 Sb1 Br6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-44707",
"created_at": "2022-09-04T14:38:03.996162Z",
"updated_at": "2022-09-04T14:38:03.996184Z",
"structure_string": "Li2 Ti1 Mn1 O4\n1.0\n0.000000 5.167818 -0.192315\n2.901113 0.000000 0.000000\n0.000000 -1.720155 -4.539019\nLi Ti Mn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.499999 0.500000 Li\n0.500001 0.000000 0.500001 Ti\n0.500000 0.499999 0.000000 Mn\n0.733880 0.000000 0.236438 O\n0.738004 0.499999 0.742198 O\n0.266122 0.000000 0.763563 O\n0.261997 0.499999 0.257803 O\n",
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{
"id": "jvasp-40708",
"created_at": "2022-09-04T14:37:59.471766Z",
"updated_at": "2022-09-04T14:37:59.471787Z",
"structure_string": "Li4 Mn2 O2 F6\n1.0\n-3.769519 4.221466 0.156608\n3.769519 0.156608 4.221466\n3.884179 4.334590 0.043484\nLi Mn O F\n4 2 2 6\ndirect\n0.481766 0.991767 0.496879 Li\n0.483839 0.493778 0.522385 Li\n0.897239 0.749774 0.852989 Li\n0.011354 0.521356 0.496879 Li\n0.514661 0.980935 0.004407 Mn\n0.044067 0.273985 0.181949 Mn\n0.714469 0.958397 0.236159 O\n0.305445 0.549372 0.236159 O\n0.791354 0.031226 0.677420 F\n0.813005 0.460839 0.226156 F\n0.712231 0.442363 0.762487 F\n0.295149 0.025282 0.762487 F\n0.210664 0.999626 0.289712 F\n0.224762 0.521303 0.753936 F\n",
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{
"id": "jvasp-56282",
"created_at": "2022-09-04T14:37:46.167383Z",
"updated_at": "2022-09-04T14:37:46.167417Z",
"structure_string": "Tl2 Hg2 Pd1 Cl8\n1.0\n6.330982 0.012627 1.868810\n2.763475 5.696026 1.868810\n-0.023695 -0.014873 9.771913\nTl Hg Pd Cl\n2 2 1 8\ndirect\n0.397409 0.397409 0.836112 Tl\n0.602592 0.602593 0.163887 Tl\n0.134236 0.134236 0.596767 Hg\n0.865765 0.865766 0.403232 Hg\n0.000000 0.000000 0.000000 Pd\n0.895306 0.380469 0.870562 Cl\n0.380468 0.895307 0.870561 Cl\n0.352878 0.352878 0.494579 Cl\n0.104695 0.619533 0.129438 Cl\n0.914694 0.914695 0.695936 Cl\n0.647123 0.647124 0.505420 Cl\n0.619532 0.104695 0.129438 Cl\n0.085307 0.085307 0.304063 Cl\n",
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{
"id": "jvasp-23351",
"created_at": "2022-09-04T14:37:46.168405Z",
"updated_at": "2022-09-04T14:37:46.168438Z",
"structure_string": "Na4 Mg2 Al2 F14\n1.0\n6.159731 0.000000 3.517823\n2.140710 5.939922 3.403377\n-0.011971 0.000514 7.172736\nNa Mg Al F\n4 2 2 14\ndirect\n0.411592 0.500000 0.500000 Na\n0.911592 -0.000000 -0.000000 Na\n0.911432 0.500722 0.999278 Na\n0.411431 0.499277 0.000722 Na\n0.411316 0.999974 0.500026 Mg\n0.911316 0.000025 0.499975 Mg\n0.911310 0.500000 0.500000 Al\n0.411310 -0.000000 -0.000000 Al\n0.998306 0.635609 0.190415 F\n0.824330 0.364390 0.809585 F\n0.498306 0.690415 0.135609 F\n0.210444 0.318467 0.455879 F\n0.161307 0.886347 0.613653 F\n0.112256 0.043955 0.181607 F\n0.337819 0.956044 0.818394 F\n0.612256 0.681607 0.543956 F\n0.837818 0.318392 0.456045 F\n0.484789 0.044122 0.181533 F\n0.710444 0.955877 0.818468 F\n0.984789 0.681532 0.544122 F\n0.661307 0.113652 0.386348 F\n0.324330 0.309584 0.864391 F\n",
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{
"id": "jvasp-35224",
"created_at": "2022-09-04T14:37:35.647129Z",
"updated_at": "2022-09-04T14:37:35.647149Z",
"structure_string": "Ba2 Nb1 Fe1 O6\n1.0\n-4.020440 -4.020440 -0.000000\n-4.020440 -0.000000 -4.020440\n-0.000000 -4.020440 -4.020440\nBa Nb Fe O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.753763 0.246237 0.246237 O\n0.753763 0.246237 0.753763 O\n0.753763 0.753763 0.246237 O\n0.246237 0.753763 0.753763 O\n0.246237 0.753763 0.246237 O\n0.246237 0.246237 0.753763 O\n",
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{
"id": "jvasp-25004",
"created_at": "2022-09-04T14:37:44.789198Z",
"updated_at": "2022-09-04T14:37:44.789210Z",
"structure_string": "Pr6 Si4 S16 I2\n1.0\n7.874525 0.000000 0.000000\n-3.937263 7.928485 -1.129090\n0.000000 -0.021111 10.921361\nPr Si S I\n6 4 16 2\ndirect\n0.319248 0.395748 0.180949 Pr\n0.599588 0.000000 0.250000 Pr\n0.680752 0.604253 0.819051 Pr\n0.923500 0.604253 0.319051 Pr\n0.076500 0.395748 0.680949 Pr\n0.400412 0.000000 0.750000 Pr\n0.303060 0.680717 0.971708 Si\n0.622343 0.319283 0.528291 Si\n0.377658 0.680717 0.471708 Si\n0.696940 0.319283 0.028292 Si\n0.549141 0.298519 0.337526 S\n0.851215 0.564366 0.585216 S\n0.722494 0.135380 0.541030 S\n0.891063 0.290033 0.146301 S\n0.749378 0.298520 0.837526 S\n0.277506 0.864621 0.458970 S\n0.601030 0.709967 0.353699 S\n0.450859 0.701481 0.662474 S\n0.250623 0.701481 0.162474 S\n0.412885 0.135379 0.041030 S\n0.108937 0.709967 0.853699 S\n0.398970 0.290034 0.646301 S\n0.148786 0.435635 0.414784 S\n0.587115 0.864621 0.958970 S\n0.713151 0.564366 0.085216 S\n0.286849 0.435635 0.914784 S\n0.983728 0.000000 0.750000 I\n0.016272 0.000000 0.250000 I\n",
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{
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"created_at": "2022-09-04T14:38:04.152461Z",
"updated_at": "2022-09-04T14:38:04.152492Z",
"structure_string": "Li5 Fe2 Ni5 O12\n1.0\n5.001129 0.161530 -0.103021\n2.328392 4.428993 0.103021\n-0.617912 0.986597 9.490898\nLi Fe Ni O\n5 2 5 12\ndirect\n0.154159 0.671485 0.505147 Li\n0.339030 0.830882 0.996385 Li\n0.671486 0.154159 0.994853 Li\n0.830882 0.339030 0.503615 Li\n0.911054 0.911054 0.750000 Li\n0.247498 0.247498 0.750000 Fe\n0.751474 0.751474 0.250000 Fe\n0.420123 0.420123 0.250000 Ni\n0.505921 -0.001334 0.502676 Ni\n0.580691 0.580691 0.750000 Ni\n0.084173 0.084173 0.250000 Ni\n-0.001334 0.505922 0.997324 Ni\n0.782498 0.034364 0.366433 O\n0.976302 0.221750 0.866476 O\n0.221750 0.976302 0.633524 O\n0.109453 0.395481 0.365238 O\n0.395481 0.109453 0.134762 O\n0.305774 0.509167 0.865911 O\n0.509167 0.305774 0.634089 O\n0.467397 0.723404 0.364079 O\n0.723405 0.467397 0.135921 O\n0.630633 0.848620 0.872846 O\n0.848620 0.630633 0.627154 O\n0.034364 0.782498 0.133567 O\n",
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{
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"created_at": "2022-09-04T14:37:49.136555Z",
"updated_at": "2022-09-04T14:37:49.136567Z",
"structure_string": "Dy4 Se4 Cl4 O12\n1.0\n6.965149 0.000000 0.000000\n-0.000000 7.124381 0.000000\n0.000000 0.000000 8.871151\nDy Se Cl O\n4 4 4 12\ndirect\n0.750000 0.395641 0.039319 Dy\n0.750000 0.895641 0.460681 Dy\n0.250000 0.604358 0.960681 Dy\n0.250000 0.104359 0.539319 Dy\n0.750000 0.300334 0.632176 Se\n0.250000 0.699666 0.367824 Se\n0.750000 0.800334 0.867824 Se\n0.250000 0.199666 0.132176 Se\n0.250000 0.949828 0.820321 Cl\n0.750000 0.550172 0.320321 Cl\n0.250000 0.449828 0.679679 Cl\n0.750000 0.050172 0.179679 Cl\n0.750000 0.249438 0.819208 O\n0.927742 0.647731 0.935055 O\n0.572258 0.647731 0.935055 O\n0.750000 0.749438 0.680792 O\n0.072258 0.352269 0.064945 O\n0.072258 0.852269 0.435055 O\n0.250000 0.750562 0.180792 O\n0.927742 0.147731 0.564945 O\n0.250000 0.250562 0.319208 O\n0.427742 0.352269 0.064945 O\n0.572258 0.147731 0.564945 O\n0.427742 0.852269 0.435055 O\n",
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{
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"created_at": "2022-09-04T14:37:47.357715Z",
"updated_at": "2022-09-04T14:37:47.357745Z",
"structure_string": "Ba4 In2 Bi2 S10\n1.0\n-4.206680 0.000000 -0.000000\n-2.103340 9.244001 -0.000000\n0.000000 -0.000000 -12.850418\nBa In Bi S\n4 2 2 10\ndirect\n0.130260 0.739478 0.189194 Ba\n0.887736 0.224528 0.314629 Ba\n0.869740 0.260522 0.689195 Ba\n0.112264 0.775471 0.814629 Ba\n0.444765 0.110469 0.055789 In\n0.555235 0.889530 0.555789 In\n0.217170 0.565660 0.478415 Bi\n0.782830 0.434340 0.978415 Bi\n0.495259 0.009479 0.725298 S\n0.684504 0.630992 0.632931 S\n0.358932 0.282136 0.499219 S\n0.045604 0.908792 0.446759 S\n0.641068 0.717863 0.999219 S\n0.504741 0.990520 0.225296 S\n0.315496 0.369007 0.132931 S\n0.284140 0.431718 0.833798 S\n0.715860 0.568282 0.333798 S\n0.954397 0.091208 0.946759 S\n",
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}