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{
"id": "jvasp-68541",
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"structure_string": "Na2 Be1 Fe1\n1.0\n3.004547 0.000000 -0.000000\n0.000000 3.004547 0.000000\n0.000000 -0.000000 8.422319\nNa Be Fe\n2 1 1\ndirect\n0.000000 0.000000 0.932867 Na\n0.500001 0.500001 0.316138 Na\n0.000000 0.000000 0.596467 Be\n0.500001 0.500001 0.654528 Fe\n",
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{
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"structure_string": "Mg2 Si2 O6\n1.0\n2.711637 0.000000 -0.000000\n-1.355819 4.583012 -0.000000\n-0.000000 0.000000 6.710265\nMg Si O\n2 2 6\ndirect\n0.259928 0.519856 0.749999 Mg\n0.740072 0.480143 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.626456 0.252912 0.943947 O\n0.373544 0.747087 0.056053 O\n0.373544 0.747087 0.443947 O\n0.626456 0.252912 0.556052 O\n0.926465 0.852929 0.749999 O\n0.073536 0.147070 0.250000 O\n",
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{
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"structure_string": "K2 Rb1 Ga1 Br6\n1.0\n6.948354 -0.000000 4.011634\n2.316118 6.550971 4.011634\n-0.000000 -0.000000 8.023268\nK Rb Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.775992 0.224008 0.224008 Br\n0.224008 0.224008 0.775992 Br\n0.224008 0.775992 0.775992 Br\n0.224008 0.775992 0.224007 Br\n0.775992 0.224008 0.775992 Br\n0.775992 0.775992 0.224007 Br\n",
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{
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"structure_string": "Mn1 Al1 Ni2\n1.0\n3.543473 -0.000000 2.045825\n1.181157 3.340819 2.045825\n-0.000000 -0.000000 4.091650\nMn Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250001 Ni\n0.750000 0.750000 0.750002 Ni\n",
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{
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"created_at": "2022-09-04T14:35:55.948641Z",
"updated_at": "2022-09-04T14:35:55.948662Z",
"structure_string": "Li2 Ca6\n1.0\n7.426781 -0.000000 0.000000\n-3.713390 6.431781 0.000000\n-0.000000 -0.000000 6.060517\nLi Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.168341 0.336683 0.250000 Ca\n0.663317 0.831658 0.250000 Ca\n0.168341 0.831658 0.250000 Ca\n0.831658 0.663317 0.750000 Ca\n0.336683 0.168341 0.750000 Ca\n0.831658 0.168341 0.750000 Ca\n",
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{
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"updated_at": "2022-09-04T14:35:55.950698Z",
"structure_string": "V1 Cu3 Se4\n1.0\n5.604616 0.000000 0.000000\n0.000000 5.604616 0.000000\n0.000000 0.000000 5.604616\nV Cu Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.244911 0.244911 0.244911 Se\n0.755090 0.755090 0.244911 Se\n0.244911 0.755090 0.755090 Se\n0.755090 0.244911 0.755090 Se\n",
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{
"id": "jvasp-43340",
"created_at": "2022-09-04T14:35:55.955755Z",
"updated_at": "2022-09-04T14:35:55.955781Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n5.969548 0.009510 -0.053372\n2.983538 5.170483 -0.053248\n0.076313 0.043646 9.493698\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.679044 0.679078 0.886253 Li\n0.967903 0.967902 0.990727 Li\n0.980243 0.980244 0.502718 Li\n0.341736 0.341766 0.397935 Li\n0.830515 0.830536 0.215629 Fe\n0.177571 0.660502 0.713497 Fe\n0.660478 0.177595 0.713495 Fe\n0.667786 0.667809 0.494271 Ni\n0.335504 0.335527 0.984972 Ni\n0.170432 0.170463 0.713524 Sn\n0.337851 0.833903 0.213171 Sn\n0.833879 0.337870 0.213168 Sn\n0.155212 0.155234 0.084191 O\n0.145180 0.672054 0.104547 O\n0.344932 0.344956 0.604560 O\n0.501898 0.048377 0.838308 O\n0.048350 0.501925 0.838308 O\n0.837250 0.837268 0.616924 O\n0.968565 0.535309 0.339087 O\n0.520675 0.520695 0.348627 O\n0.824294 0.316775 0.599192 O\n0.991398 0.991423 0.809090 O\n0.989722 0.989744 0.319124 O\n0.677434 0.677457 0.096636 O\n0.487766 0.487792 0.827062 O\n0.316754 0.824318 0.599196 O\n0.535285 0.968592 0.339086 O\n0.672041 0.145193 0.104542 O\n",
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{
"id": "jvasp-15001",
"created_at": "2022-09-04T14:35:55.956635Z",
"updated_at": "2022-09-04T14:35:55.956667Z",
"structure_string": "Sr2 Si2\n1.0\n4.059684 0.000000 -0.000000\n0.000000 4.431249 -1.886319\n-0.000000 0.002976 6.154986\nSr Si\n2 2\ndirect\n0.250000 0.639426 0.278850 Sr\n0.749999 0.360575 0.721151 Sr\n0.250000 0.934424 0.868847 Si\n0.749999 0.065577 0.131154 Si\n",
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{
"id": "jvasp-69454",
"created_at": "2022-09-04T14:35:55.958363Z",
"updated_at": "2022-09-04T14:35:55.958386Z",
"structure_string": "Zr1 Be1 Ir1\n1.0\n2.047543 -3.546449 0.000000\n2.047543 3.546449 -0.000000\n0.000000 -0.000000 3.192391\nZr Be Ir\n1 1 1\ndirect\n0.666666 0.333332 0.333327 Zr\n0.000000 0.000000 0.833298 Be\n0.333332 0.666666 0.833375 Ir\n",
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{
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"created_at": "2022-09-04T14:35:55.961285Z",
"updated_at": "2022-09-04T14:35:55.961311Z",
"structure_string": "Tb1 Ni12 B6\n1.0\n3.688691 -4.759252 -0.007066\n3.688691 4.759252 -0.007066\n-2.441270 0.000000 5.504286\nTb Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.452575 0.452575 0.186427 Ni\n0.452575 0.186427 0.452575 Ni\n0.547425 0.547425 0.813572 Ni\n0.813572 0.547425 0.547424 Ni\n0.547425 0.813572 0.547424 Ni\n0.869708 0.500000 0.130291 Ni\n0.130291 0.869708 0.500000 Ni\n0.186427 0.452575 0.452575 Ni\n0.500000 0.130291 0.869709 Ni\n0.869708 0.130291 0.500000 Ni\n0.500000 0.869708 0.130291 Ni\n0.130291 0.500000 0.869709 Ni\n0.670367 0.235325 0.235324 B\n0.235325 0.235325 0.670367 B\n0.235325 0.670367 0.235324 B\n0.764675 0.764675 0.329632 B\n0.329633 0.764675 0.764675 B\n0.764675 0.329633 0.764675 B\n",
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"structure_string": "Ba1 Nb1 Cr2\n1.0\n4.772200 0.000000 0.000000\n0.000000 4.772200 -0.000000\n0.000000 0.000000 3.203784\nBa Nb Cr\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Nb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n",
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{
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"structure_string": "H36 Br4 O16\n1.0\n5.981810 -0.000524 -2.779653\n0.000136 12.139243 0.000093\n-0.202031 -0.000215 7.699591\nH Br O\n36 4 16\ndirect\n0.416403 0.341622 -0.003036 H\n0.557429 0.449383 0.549966 H\n0.301486 0.328990 0.565681 H\n0.442602 0.949235 0.450067 H\n0.698488 0.829114 0.434254 H\n0.454239 0.570467 0.893875 H\n0.402900 0.534797 0.665966 H\n0.341599 0.666285 0.710730 H\n0.658248 0.166310 0.289632 H\n0.596774 0.034743 0.333881 H\n0.036454 0.458446 0.046138 H\n0.290477 0.455232 0.385005 H\n0.912170 0.459499 0.180399 H\n0.087595 -0.040633 0.819587 H\n-0.036802 -0.041652 0.953816 H\n0.709563 0.955229 0.615041 H\n-0.061385 0.764438 0.478001 H\n0.710971 0.762222 0.244262 H\n0.545762 0.070571 0.106252 H\n0.289105 0.262141 0.755747 H\n0.253021 0.243391 -0.008890 H\n0.583415 0.841701 0.002960 H\n0.747079 0.743453 0.008896 H\n0.039412 0.289817 0.121461 H\n0.067740 0.156253 0.144411 H\n-0.039563 0.789800 0.878393 H\n-0.067692 0.656260 0.855491 H\n0.586568 0.154076 0.694732 H\n0.821653 0.209743 0.833798 H\n0.413557 0.654064 0.305246 H\n0.178404 0.709757 0.166173 H\n0.726009 0.335021 0.359726 H\n0.747835 0.248400 0.529972 H\n0.273915 0.835086 0.640152 H\n0.252259 0.748355 0.470173 H\n0.061586 0.264391 0.521913 H\n0.573191 0.494562 0.176727 Br\n0.426439 0.994597 0.823110 Br\n0.060850 0.989382 0.271622 Br\n0.939054 0.489405 0.728088 Br\n0.051737 0.433058 0.174942 O\n0.555075 0.097731 0.232890 O\n0.444755 0.597708 0.767191 O\n0.604059 0.945004 0.473474 O\n0.395946 0.445101 0.526577 O\n0.767273 0.761033 0.405271 O\n0.232784 0.260990 0.594857 O\n0.214032 0.761736 0.584072 O\n0.302135 0.708571 0.301275 O\n0.697874 0.208663 0.698734 O\n-0.050085 0.720240 0.942284 O\n0.050046 0.220260 0.057612 O\n0.629477 0.765612 0.052651 O\n0.370295 0.265585 0.947056 O\n0.785907 0.261690 0.415945 O\n-0.052104 -0.067003 0.824956 O\n",
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}