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{
"id": "jvasp-95497",
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"structure_string": "Na2 Tb2 Mn2 W2 O12\n1.0\n5.307674 0.000000 -0.022787\n0.000000 5.449575 0.000000\n0.015067 0.000000 7.687482\nTb Na Mn W O\n2 2 2 2 12\ndirect\n0.736846 0.780054 0.499155 Tb\n0.263154 0.280054 0.500845 Tb\n0.755675 0.691216 0.998177 Na\n0.244325 0.191215 0.001823 Na\n0.247927 0.722740 0.751731 Mn\n0.752073 0.222740 0.248268 Mn\n0.240510 0.723018 0.231510 W\n0.759490 0.223017 0.768489 W\n0.050411 0.429046 0.780259 O\n0.045376 0.428215 0.218976 O\n0.316561 0.738634 -0.003870 O\n0.545601 0.509659 0.694634 O\n0.683438 0.238634 0.003870 O\n0.537795 0.514795 0.305211 O\n0.949589 0.929047 0.219740 O\n0.462205 0.014794 0.694788 O\n0.841554 0.198228 0.501331 O\n0.954624 0.928215 0.781023 O\n0.454399 0.009659 0.305365 O\n0.158446 0.698228 0.498669 O\n",
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{
"id": "jvasp-101231",
"created_at": "2022-09-04T14:36:41.156924Z",
"updated_at": "2022-09-04T14:36:41.156941Z",
"structure_string": "Ba1 Na1 Ti1 Nb1 O6\n1.0\n4.908953 -0.000000 2.834186\n1.636318 4.628206 2.834186\n-0.000000 -0.000000 5.668371\nBa Na Ti Nb O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Na\n0.750000 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Nb\n0.997674 0.502326 0.502327 O\n0.502325 0.997675 0.997675 O\n0.997674 0.502326 0.997675 O\n0.502325 0.997675 0.502326 O\n0.502325 0.502326 0.997675 O\n0.997674 0.997675 0.502327 O\n",
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"volume_molar": 7.755516477902229,
"formula_full": "Ba1 Na1 Ti1 Nb1 O6",
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{
"id": "jvasp-106122",
"created_at": "2022-09-04T14:36:01.450594Z",
"updated_at": "2022-09-04T14:36:01.450619Z",
"structure_string": "Ca1 La1 V1 Fe1 O6\n1.0\n4.651139 0.000000 2.685336\n1.550380 4.385136 2.685336\n-0.000000 0.000000 5.370673\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.749610 0.749610 0.250391 O\n0.250390 0.749610 0.250390 O\n0.749610 0.250391 0.250391 O\n0.250390 0.250391 0.749610 O\n0.749610 0.250391 0.749610 O\n0.250390 0.749610 0.749610 O\n",
"nsites": 10,
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"volume_molar": 6.596628074344757,
"formula_full": "Ca1 La1 V1 Fe1 O6",
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"formula_anonymous": "ABCDE6",
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"spacegroup": 216
},
{
"id": "jvasp-100564",
"created_at": "2022-09-04T14:36:39.604932Z",
"updated_at": "2022-09-04T14:36:39.604952Z",
"structure_string": "Ba1 Sr1 Zn1 W1 O6\n1.0\n4.965081 0.000000 2.866591\n1.655027 4.681123 2.866591\n0.000000 0.000000 5.733181\nBa Sr Zn W O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 W\n0.760689 0.239311 0.239311 O\n0.760690 0.760689 0.239311 O\n0.239311 0.760689 0.239311 O\n0.239311 0.239311 0.760689 O\n0.760689 0.239311 0.760689 O\n0.239311 0.760689 0.760689 O\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.0750460704018003,
"volume": 133.2514806765966,
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"formula_full": "Ba1 Sr1 Zn1 W1 O6",
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"formula_anonymous": "ABCDE6",
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{
"id": "jvasp-106330",
"created_at": "2022-09-04T14:38:18.167972Z",
"updated_at": "2022-09-04T14:38:18.167992Z",
"structure_string": "Sr1 La1 Ti1 Mn1 O6\n1.0\n4.803870 -0.004819 2.717787\n1.582759 4.535644 2.717787\n-0.006793 -0.004819 5.519374\nSr La Ti Mn O\n1 1 1 1 6\ndirect\n0.749995 0.749993 0.749994 Sr\n0.250635 0.250634 0.250635 La\n0.000771 0.000771 0.000771 Ti\n0.499998 0.499997 0.499997 Mn\n0.202935 0.751509 0.294342 O\n0.751511 0.294341 0.202935 O\n0.294342 0.202934 0.751510 O\n0.247727 0.692422 0.809670 O\n0.692423 0.809669 0.247727 O\n0.809671 0.247726 0.692422 O\n",
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{
"id": "jvasp-59277",
"created_at": "2022-09-04T14:38:08.730139Z",
"updated_at": "2022-09-04T14:38:08.730167Z",
"structure_string": "Na2 Ca2 Ta2 Ti2 O12\n1.0\n0.000000 5.431481 -0.001247\n5.535907 0.000000 0.000000\n0.000000 -5.420338 -7.741592\nNa Ca Ta Ti O\n2 2 2 2 12\ndirect\n0.752750 0.275682 0.749849 Na\n0.752750 0.724319 0.249849 Na\n0.237537 0.799179 0.749294 Ca\n0.237537 0.200822 0.249294 Ca\n0.493222 0.258384 -0.001045 Ta\n0.493222 0.741616 0.498954 Ta\n0.993328 0.254090 0.501452 Ti\n0.993328 0.745911 0.001453 Ti\n0.842871 0.457843 0.043027 O\n0.176949 0.962894 0.462803 O\n0.755665 0.964015 0.037831 O\n0.322764 0.231073 0.748340 O\n0.670698 0.268777 0.251601 O\n0.755664 0.035986 0.537831 O\n0.842870 0.542158 0.543027 O\n0.176949 0.037106 0.962803 O\n0.254218 0.451625 0.456848 O\n0.322764 0.768928 0.248340 O\n0.254218 0.548375 0.956848 O\n0.670697 0.731223 0.751601 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.533096949839707,
"density_atomic": 0.08590587386462006,
"volume": 232.81295096908278,
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"formula_full": "Na2 Ca2 Ta2 Ti2 O12",
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{
"id": "jvasp-110164",
"created_at": "2022-09-04T14:38:49.956470Z",
"updated_at": "2022-09-04T14:38:49.956507Z",
"structure_string": "Sr1 Pr1 Fe1 Co1 O6\n1.0\n4.700855 0.025807 -2.658067\n-1.480945 4.458495 -2.666570\n-0.044066 -0.052686 5.388875\nSr Pr Fe Co O\n1 1 1 1 6\ndirect\n0.750453 0.750024 0.500285 Sr\n0.253990 0.254641 0.504513 Pr\n0.499432 0.000257 -0.000143 Fe\n0.000079 0.499879 -0.000017 Co\n0.270512 0.720807 -0.009814 O\n0.211495 0.209501 -0.040983 O\n0.718938 0.268388 0.988877 O\n0.805996 0.807866 0.057753 O\n0.271001 0.719079 0.501141 O\n0.718104 0.269562 0.498393 O\n",
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"density": 6.527015090274638,
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{
"id": "jvasp-100799",
"created_at": "2022-09-04T14:36:58.453674Z",
"updated_at": "2022-09-04T14:36:58.453699Z",
"structure_string": "Sr1 Ti1 Mn1 Bi1 O6\n1.0\n4.741553 -0.000000 2.737537\n1.580518 4.470379 2.737537\n-0.000000 -0.000000 5.475074\nSr Ti Mn Bi O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Bi\n-0.003559 0.503559 0.503559 O\n0.503559 -0.003559 -0.003558 O\n-0.003559 0.503559 -0.003559 O\n0.503559 -0.003559 0.503559 O\n0.503559 0.503559 -0.003558 O\n-0.003559 -0.003559 0.503559 O\n",
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{
"id": "jvasp-107365",
"created_at": "2022-09-04T14:36:57.922404Z",
"updated_at": "2022-09-04T14:36:57.922423Z",
"structure_string": "Ba1 La1 Co1 Sb1 O6\n1.0\n4.968061 0.050745 -2.938277\n-1.591894 4.706387 -2.938277\n-0.036014 -0.050745 5.771811\nBa La Co Sb O\n1 1 1 1 6\ndirect\n0.750000 0.250000 0.499999 Ba\n0.250001 0.750001 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000001 Sb\n0.817358 0.325841 0.102801 O\n0.223042 0.714558 0.897199 O\n0.285444 0.182642 0.508484 O\n0.674159 0.776960 0.491516 O\n0.255320 0.255319 -0.000000 O\n0.744681 0.744680 -0.000001 O\n",
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{
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"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
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{
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"created_at": "2022-09-04T14:38:39.665466Z",
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"structure_string": "Sr1 Nd1 Mn1 Co1 O6\n1.0\n4.672582 0.000000 2.697717\n1.557527 4.405353 2.697717\n0.000000 0.000000 5.395434\nSr Nd Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Nd\n0.750000 0.749999 0.750001 Mn\n0.250000 0.250000 0.250000 Co\n0.500211 0.500211 -0.000211 O\n-0.000211 -0.000211 0.500211 O\n-0.000211 0.500211 0.500211 O\n0.500211 -0.000211 -0.000211 O\n0.500211 -0.000211 0.500211 O\n-0.000211 0.500211 -0.000211 O\n",
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{
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"created_at": "2022-09-04T14:38:49.872900Z",
"updated_at": "2022-09-04T14:38:49.872928Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
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]
}