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{
"id": "jvasp-34425",
"created_at": "2022-09-04T14:38:29.016792Z",
"updated_at": "2022-09-04T14:38:29.016815Z",
"structure_string": "Ba6 Ru2 Pt1 Cl2 O12\n1.0\n2.926188 -5.068307 -0.000000\n2.926188 5.068307 0.000000\n-0.000000 -0.000000 15.241614\nBa Ru Pt Cl O\n6 2 1 2 12\ndirect\n0.666667 0.333333 0.784769 Ba\n0.333333 0.666667 0.919153 Ba\n0.666667 0.333333 0.366453 Ba\n0.666667 0.333333 0.080847 Ba\n0.333333 0.666667 0.633547 Ba\n0.333333 0.666667 0.215230 Ba\n0.000000 0.000000 0.181667 Ru\n0.000000 0.000000 0.818333 Ru\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.577354 Cl\n0.333333 0.666667 0.422646 Cl\n0.838769 0.677537 0.243129 O\n0.152420 0.847580 0.086906 O\n0.847580 0.152420 0.913094 O\n0.161231 0.838769 0.756871 O\n0.322464 0.161231 0.243129 O\n0.304840 0.152421 0.913094 O\n0.677537 0.838769 0.756871 O\n0.161231 0.322464 0.756871 O\n0.695160 0.847580 0.086906 O\n0.847580 0.695160 0.913094 O\n0.838769 0.161231 0.243129 O\n0.152421 0.304840 0.086906 O\n",
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{
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"structure_string": "Sc6 In2\n1.0\n3.181916 -5.511238 0.000000\n3.181916 5.511238 -0.000000\n-0.000000 0.000000 5.186061\nSc In\n6 2\ndirect\n0.831670 0.663340 0.750000 Sc\n0.663340 0.831670 0.250000 Sc\n0.168331 0.831670 0.250000 Sc\n0.831670 0.168331 0.750000 Sc\n0.336661 0.168331 0.750000 Sc\n0.168331 0.336661 0.250000 Sc\n0.333334 0.666668 0.750000 In\n0.666668 0.333334 0.250000 In\n",
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{
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"created_at": "2022-09-04T14:38:29.021355Z",
"updated_at": "2022-09-04T14:38:29.021382Z",
"structure_string": "P1 Br2\n1.0\n3.979001 0.177526 -0.193960\n0.198039 -3.870869 0.515509\n-0.404648 2.519776 -5.905804\nP Br\n1 2\ndirect\n0.961521 0.932075 0.005395 P\n0.461510 0.386745 0.958284 Br\n0.962049 0.258581 0.408222 Br\n",
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"volume": 86.17135043344285,
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{
"id": "jvasp-24319",
"created_at": "2022-09-04T14:38:29.022330Z",
"updated_at": "2022-09-04T14:38:29.022356Z",
"structure_string": "Ba2 Sr8 U6 O28\n1.0\n8.096613 -0.002404 -0.000000\n-0.011234 8.096605 -0.000000\n-0.000000 -0.000000 11.043347\nBa Sr U O\n2 8 6 28\ndirect\n0.500000 0.500001 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.729145 0.770856 0.250000 Sr\n0.250907 0.749094 0.275540 Sr\n0.249094 0.750907 0.775540 Sr\n0.750906 0.249094 0.224460 Sr\n0.749093 0.250907 0.724460 Sr\n0.770855 0.729146 0.750000 Sr\n0.229145 0.270855 0.250000 Sr\n0.270855 0.229145 0.750000 Sr\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.500001 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.936445 0.063555 0.833867 O\n0.686106 0.032944 0.375038 O\n0.532943 0.186107 0.875038 O\n0.993277 0.753308 0.926996 O\n0.532892 0.807213 0.881892 O\n0.753307 0.993278 0.073004 O\n0.246693 0.006723 0.926996 O\n0.506723 0.746694 0.426996 O\n0.006723 0.246693 0.073004 O\n0.436445 0.563555 0.666133 O\n0.563555 0.436446 0.333867 O\n0.493277 0.253307 0.573004 O\n0.467057 0.813894 0.124962 O\n0.032944 0.686107 0.624962 O\n0.692788 0.967110 0.618108 O\n0.746693 0.506724 0.573004 O\n0.186106 0.532944 0.124962 O\n0.313894 0.967057 0.624962 O\n0.032892 0.307213 0.618108 O\n0.192788 0.467109 0.881892 O\n0.307212 0.032892 0.381892 O\n0.063555 0.936446 0.166133 O\n0.253307 0.493278 0.426996 O\n0.467109 0.192788 0.118108 O\n0.807212 0.532892 0.118108 O\n0.967109 0.692789 0.381892 O\n0.967056 0.313894 0.375038 O\n0.813894 0.467057 0.875038 O\n",
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{
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"created_at": "2022-09-04T14:38:29.028358Z",
"updated_at": "2022-09-04T14:38:29.028395Z",
"structure_string": "Ce4 Mg4 Si8\n1.0\n4.170242 -0.000000 -0.479741\n-0.055189 4.169877 -0.479741\n0.051418 0.052103 18.812190\nCe Mg Si\n4 4 8\ndirect\n0.703124 0.953125 0.906249 Ce\n0.453125 0.203125 0.406249 Ce\n0.296875 0.046875 0.093751 Ce\n0.546875 0.796875 0.593751 Ce\n0.624906 0.374905 0.749811 Mg\n0.375094 0.625095 0.250189 Mg\n0.125094 0.875094 0.750189 Mg\n0.874905 0.124906 0.249811 Mg\n0.076911 0.326911 0.653821 Si\n0.173089 0.423088 0.846179 Si\n0.826911 0.576911 0.153821 Si\n0.923088 0.673089 0.346179 Si\n0.014312 0.264312 0.528623 Si\n0.764311 0.514312 0.028623 Si\n0.985688 0.735688 0.471377 Si\n0.235688 0.485688 0.971377 Si\n",
"nsites": 16,
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],
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"density_atomic": 0.048878676773823106,
"volume": 327.34110364805895,
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"formula_full": "Ce4 Mg4 Si8",
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{
"id": "jvasp-118788",
"created_at": "2022-09-04T14:38:29.028790Z",
"updated_at": "2022-09-04T14:38:29.028818Z",
"structure_string": "Na1 Ni1 O1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nNa Ni O\n1 1 1\ndirect\n0.308819 0.000849 0.000000 Na\n-0.003363 -0.035893 0.000000 Ni\n0.001096 0.240755 0.000000 O\n",
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{
"id": "jvasp-16723",
"created_at": "2022-09-04T14:38:29.029034Z",
"updated_at": "2022-09-04T14:38:29.029060Z",
"structure_string": "Cr1 Ir3\n1.0\n3.827115 0.000000 0.000000\n-0.000000 3.827115 0.000000\n0.000000 -0.000000 3.827115\nCr Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.499999 0.499999 Ir\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.499999 Ir\n",
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{
"id": "jvasp-59103",
"created_at": "2022-09-04T14:38:29.035755Z",
"updated_at": "2022-09-04T14:38:29.035766Z",
"structure_string": "Zn6 P4 S16\n1.0\n7.795668 0.000000 -0.000000\n0.000000 7.795668 0.000000\n-0.000000 0.000000 9.207524\nZn P S\n6 4 16\ndirect\n0.000000 0.500000 0.484100 Zn\n0.500000 0.000000 0.515900 Zn\n0.000000 0.500000 0.015900 Zn\n0.500000 0.000000 0.984100 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.243512 0.256488 0.250000 P\n0.256488 0.756488 0.750000 P\n0.756488 0.743512 0.250000 P\n0.743512 0.243512 0.750000 P\n0.233535 0.969721 0.874849 S\n0.530279 0.266465 0.625150 S\n0.469721 0.733535 0.625150 S\n0.266465 0.469721 0.374850 S\n0.733535 0.530279 0.374850 S\n0.030279 0.233535 0.125150 S\n0.766465 0.030279 0.874849 S\n0.747907 0.982304 0.359329 S\n0.982304 0.252093 0.640670 S\n0.017696 0.747907 0.640670 S\n0.252093 0.017696 0.359329 S\n0.517696 0.752093 0.140671 S\n0.247907 0.517696 0.859329 S\n0.482304 0.247907 0.140671 S\n0.969721 0.766465 0.125150 S\n0.752093 0.482304 0.859329 S\n",
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{
"id": "jvasp-29478",
"created_at": "2022-09-04T14:38:29.036109Z",
"updated_at": "2022-09-04T14:38:29.036125Z",
"structure_string": "In2 Sb4 S8 Br2\n1.0\n3.858055 0.000000 0.672035\n1.241106 9.329718 4.285274\n0.020068 -0.014590 11.295078\nIn Sb S Br\n2 4 8 2\ndirect\n0.662559 0.105994 0.568887 In\n0.337441 0.894006 0.431113 In\n0.293843 0.312325 0.099990 Sb\n0.951879 0.314645 0.781596 Sb\n0.048121 0.685355 0.218404 Sb\n0.706157 0.687675 0.900011 Sb\n0.679635 0.507240 0.133490 S\n0.102106 0.822238 0.973551 S\n0.213939 0.920347 0.651778 S\n0.535396 0.139721 0.789487 S\n0.786062 0.079654 0.348222 S\n0.464605 0.860280 0.210513 S\n0.320366 0.492761 0.866510 S\n0.897894 0.177763 0.026449 S\n0.897982 0.671344 0.532692 Br\n0.102018 0.328657 0.467308 Br\n",
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{
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"structure_string": "Ba1 Zn1 F1\n1.0\n4.089499 0.000000 0.000000\n0.000000 4.089499 0.000000\n0.000000 0.000000 7.859337\nBa Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.301851 Ba\n0.000000 0.000000 0.737459 Zn\n0.000000 0.000000 -0.001920 F\n",
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{
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"updated_at": "2022-09-04T14:38:29.039527Z",
"structure_string": "Ba2 Zr2 B4 O12\n1.0\n5.062687 -0.013300 10.546902\n2.389684 4.463226 10.546902\n-0.022273 -0.013300 11.699036\nBa Zr B O\n2 2 4 12\ndirect\n0.999833 0.999833 0.999832 Ba\n0.499833 0.499833 0.499832 Ba\n0.249831 0.249831 0.249831 Zr\n0.749831 0.749832 0.749831 Zr\n0.880524 0.880524 0.880523 B\n0.119139 0.119139 0.119139 B\n0.619139 0.619140 0.619139 B\n0.380523 0.380524 0.380523 B\n0.914111 0.027165 0.418222 O\n0.027166 0.418223 0.914110 O\n0.472513 0.081438 0.585536 O\n0.414109 0.918223 0.527165 O\n0.918223 0.527166 0.414109 O\n0.085536 0.581438 0.972513 O\n0.581437 0.972514 0.085536 O\n0.527166 0.414110 0.918222 O\n0.585536 0.472513 0.081437 O\n0.081437 0.585536 0.472513 O\n0.418222 0.914111 0.027165 O\n0.972514 0.085536 0.581437 O\n",
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}