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{
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{
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"structure_string": "Sm12 Si8 Ni4\n1.0\n4.197630 0.000000 0.000000\n0.000000 11.415697 0.000000\n0.000000 0.000000 11.550087\nSm Si Ni\n12 8 4\ndirect\n0.250000 0.376900 0.058194 Sm\n0.750000 0.941183 0.117554 Sm\n0.250000 0.123100 0.558194 Sm\n0.750000 0.301688 0.786312 Sm\n0.250000 0.441183 0.382446 Sm\n0.250000 0.801688 0.713688 Sm\n0.250000 0.058817 0.882446 Sm\n0.750000 0.623100 0.941806 Sm\n0.250000 0.698313 0.213688 Sm\n0.750000 0.198313 0.286312 Sm\n0.750000 0.558817 0.617554 Sm\n0.750000 0.876901 0.441806 Sm\n0.750000 0.312672 0.526050 Si\n0.750000 0.187328 0.026049 Si\n0.250000 0.006990 0.302576 Si\n0.750000 0.506991 0.197424 Si\n0.750000 0.993010 0.697425 Si\n0.250000 0.812672 0.973951 Si\n0.250000 0.493010 0.802576 Si\n0.250000 0.687328 0.473951 Si\n0.250000 0.364199 0.629692 Ni\n0.250000 0.135801 0.129691 Ni\n0.750000 0.864200 0.870309 Ni\n0.750000 0.635801 0.370309 Ni\n",
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{
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"structure_string": "Ge12 Pb3 O27\n1.0\n11.510481 0.000000 0.000000\n-5.755240 9.968369 -0.000000\n-0.000000 -0.000000 4.823608\nGe Pb O\n12 3 27\ndirect\n0.666667 0.333333 0.114801 Ge\n0.000000 0.000000 0.000000 Ge\n0.333333 0.666667 0.885199 Ge\n0.148907 0.491400 0.395037 Ge\n0.508600 0.657506 0.395037 Ge\n0.342494 0.851093 0.395037 Ge\n0.657506 0.508600 0.604964 Ge\n0.851093 0.342494 0.604964 Ge\n0.491400 0.148907 0.604964 Ge\n0.180437 0.000000 0.500000 Ge\n0.000000 0.180437 0.500000 Ge\n0.819563 0.819563 0.500000 Ge\n0.673931 0.000000 0.000000 Pb\n0.000000 0.673932 0.000000 Pb\n0.326069 0.326069 0.000000 Pb\n0.248554 0.738397 0.664044 O\n0.491149 0.000000 0.500000 O\n0.602840 0.179484 0.884948 O\n0.820516 0.423355 0.884948 O\n0.576645 0.397161 0.884948 O\n0.423355 0.820516 0.115053 O\n0.397160 0.576645 0.115053 O\n0.179484 0.602840 0.115053 O\n0.510158 0.261603 0.335957 O\n0.738397 0.248553 0.335957 O\n0.751447 0.489842 0.335957 O\n0.489842 0.751447 0.664044 O\n0.154411 0.095314 0.238649 O\n0.324605 0.106790 0.713581 O\n0.893209 0.217814 0.713581 O\n0.782186 0.675395 0.713581 O\n0.217814 0.893210 0.286419 O\n0.675395 0.782186 0.286419 O\n0.106791 0.324605 0.286419 O\n0.000000 0.491149 0.500000 O\n0.904686 0.059097 0.238649 O\n0.940903 0.845589 0.238649 O\n0.059097 0.904686 0.761351 O\n0.845589 0.940903 0.761351 O\n0.095314 0.154411 0.761351 O\n0.261603 0.510158 0.664044 O\n0.508850 0.508850 0.500000 O\n",
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{
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"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
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{
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"structure_string": "Ba4 In2 Sb2 Se10\n1.0\n9.860121 0.015834 0.000000\n-8.908040 4.227181 0.000000\n-0.000000 -0.000000 13.231190\nBa In Sb Se\n4 2 2 10\ndirect\n0.886520 0.113479 0.812071 Ba\n0.113479 0.886520 0.312071 Ba\n0.870489 0.129509 0.189510 Ba\n0.129509 0.870490 0.689510 Ba\n0.560275 0.439724 0.053480 In\n0.439724 0.560275 0.553480 In\n0.782316 0.217683 0.477580 Sb\n0.217683 0.782316 0.977580 Sb\n0.355595 0.644404 0.998434 Se\n0.644404 0.355595 0.498434 Se\n0.310246 0.689753 0.634002 Se\n0.689753 0.310245 0.134002 Se\n0.954723 0.045275 0.439700 Se\n0.716707 0.283292 0.834959 Se\n0.045276 0.954723 0.939700 Se\n0.496130 0.503869 0.225424 Se\n0.283292 0.716707 0.334959 Se\n0.503869 0.496130 0.725424 Se\n",
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{
"id": "jvasp-98291",
"created_at": "2022-09-04T14:35:48.970159Z",
"updated_at": "2022-09-04T14:35:48.970185Z",
"structure_string": "H16 Pb4 C8 O24\n1.0\n7.744282 -0.000009 -0.000010\n-0.000010 7.622388 -0.000003\n-0.000011 -0.000003 9.373292\nH Pb C O\n16 4 8 24\ndirect\n0.851883 0.038308 0.166782 H\n0.150488 0.664313 0.603131 H\n0.349512 0.835688 0.103132 H\n0.849513 0.335689 0.396869 H\n0.148116 0.961692 0.833218 H\n0.650488 0.164311 0.896868 H\n0.648117 0.461691 0.666782 H\n0.150487 0.835688 0.103132 H\n0.849513 0.164312 0.896868 H\n0.148117 0.538310 0.333218 H\n0.351883 0.538310 0.333218 H\n0.349513 0.664313 0.603131 H\n0.851883 0.461691 0.666782 H\n0.648117 0.038308 0.166781 H\n0.650488 0.335689 0.396869 H\n0.351883 0.961692 0.833218 H\n0.750000 0.455591 0.095889 Pb\n0.250000 0.544410 0.904111 Pb\n0.249999 0.955591 0.404112 Pb\n0.750000 0.044410 0.595888 Pb\n0.649312 0.722842 0.369064 C\n0.350688 0.277159 0.630935 C\n0.850688 0.722843 0.369065 C\n0.850687 0.777160 0.869066 C\n0.149312 0.222840 0.130934 C\n0.350689 0.222842 0.130936 C\n0.149312 0.277158 0.630935 C\n0.649311 0.777158 0.869063 C\n0.426997 0.111320 0.208586 O\n0.426996 0.388679 0.708586 O\n0.750000 -0.015549 0.121201 O\n0.926421 0.666333 0.948751 O\n0.573578 0.666335 0.948753 O\n0.926998 0.611322 0.291412 O\n0.750000 0.232848 0.863914 O\n0.426421 0.333666 0.051247 O\n0.573002 0.888680 0.791414 O\n0.926996 0.888679 0.791413 O\n0.573580 0.833666 0.448752 O\n0.250000 0.015548 0.878799 O\n0.073579 0.333668 0.051248 O\n0.750000 0.515548 0.621201 O\n0.250000 0.484454 0.378800 O\n0.573004 0.611322 0.291414 O\n0.250000 0.732849 0.636086 O\n0.073003 0.388679 0.708587 O\n0.750000 0.267153 0.363914 O\n0.250000 0.767152 0.136086 O\n0.073578 0.166333 0.551247 O\n0.926422 0.833667 0.448753 O\n0.073004 0.111321 0.208588 O\n0.426421 0.166335 0.551247 O\n",
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{
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"structure_string": "Li2 Zr6 Mn1 Cl15\n1.0\n8.472628 -0.005770 -2.907234\n-4.322129 7.287294 -2.907234\n0.003289 0.005770 8.957534\nLi Zr Mn Cl\n2 6 1 15\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.760457 0.760456 0.000001 Zr\n-0.000000 0.230720 0.230721 Zr\n0.230721 0.000000 0.230721 Zr\n0.239543 0.239543 0.000000 Zr\n-0.000000 0.769279 0.769279 Zr\n0.769280 0.000000 0.769279 Zr\n0.000000 0.000000 0.000000 Mn\n0.753679 0.753678 0.507358 Cl\n0.252536 0.502949 0.250415 Cl\n0.002121 0.252536 0.749585 Cl\n0.753679 0.246321 0.000000 Cl\n0.252536 0.002121 0.749585 Cl\n0.502950 0.252536 0.250415 Cl\n0.500000 0.000000 0.500000 Cl\n0.747464 -0.002121 0.250415 Cl\n-0.002122 0.747464 0.250415 Cl\n0.246321 0.246321 0.492642 Cl\n0.497050 0.747464 0.749586 Cl\n-0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.246321 0.753678 0.000000 Cl\n0.747464 0.497050 0.749586 Cl\n",
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{
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{
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"structure_string": "Na12 Hg8\n1.0\n7.745991 0.000000 0.000000\n0.000000 8.449348 0.000000\n0.000000 0.000000 8.449348\nNa Hg\n12 8\ndirect\n0.750000 0.500000 0.000000 Na\n0.000000 0.697478 0.302522 Na\n0.500000 0.197478 0.197478 Na\n0.000000 0.302522 0.697478 Na\n0.000000 0.140497 0.140497 Na\n0.500000 0.359503 0.640497 Na\n0.500000 0.802522 0.802522 Na\n0.000000 0.859503 0.859503 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.500000 0.000000 Na\n0.500000 0.640497 0.359503 Na\n0.698620 0.130498 0.869502 Hg\n0.801380 0.630498 0.630498 Hg\n0.801380 0.369502 0.369502 Hg\n0.301380 0.130498 0.869502 Hg\n0.301380 0.869502 0.130498 Hg\n0.198620 0.630498 0.630498 Hg\n0.698620 0.869502 0.130498 Hg\n0.198620 0.369502 0.369502 Hg\n",
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