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{
"id": "jvasp-99411",
"created_at": "2022-09-04T14:36:37.144941Z",
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"structure_string": "Rb1 Pr1 O2\n1.0\n3.552879 -0.001774 5.908682\n1.638296 3.152609 5.908682\n-0.002923 -0.001774 6.894597\nRb Pr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500002 0.499998 Pr\n0.228260 0.228261 0.228259 O\n0.771741 0.771742 0.771737 O\n",
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{
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"structure_string": "Rb4 Pr2 O6\n1.0\n5.720560 3.579889 0.000000\n-5.720560 3.579889 0.000000\n0.000000 0.000000 6.520727\nRb Pr O\n4 2 6\ndirect\n0.476351 0.812112 0.278247 Rb\n0.187888 0.523649 0.778247 Rb\n0.523649 0.187888 0.778247 Rb\n0.812112 0.476351 0.278247 Rb\n0.111098 0.111098 0.243399 Pr\n0.888902 0.888902 0.743399 Pr\n0.102099 0.840171 0.011410 O\n0.159830 0.897902 0.511410 O\n0.599009 0.599009 0.617289 O\n0.400991 0.400991 0.117289 O\n0.840171 0.102099 0.011410 O\n0.897902 0.159830 0.511410 O\n",
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{
"id": "jvasp-97657",
"created_at": "2022-09-04T14:35:44.953120Z",
"updated_at": "2022-09-04T14:35:44.953137Z",
"structure_string": "Rb4 V4 P4 O20\n1.0\n7.586146 0.000000 0.000000\n0.000000 7.840840 0.000000\n0.000000 0.000000 8.403173\nRb V P O\n4 4 4 20\ndirect\n0.370984 0.708487 0.480978 Rb\n0.129016 0.208487 0.519022 Rb\n0.870985 0.291513 0.019022 Rb\n0.629016 0.791513 0.980978 Rb\n0.137002 0.792129 0.872255 V\n0.637002 0.207871 0.627745 V\n0.862999 0.707871 0.372255 V\n0.362999 0.292129 0.127745 V\n0.624976 0.068045 0.343636 P\n0.375024 0.431955 0.843636 P\n0.875025 0.568045 0.656364 P\n0.124976 0.931955 0.156364 P\n0.821208 0.570126 0.233181 O\n0.678793 0.070126 0.766819 O\n0.321208 0.429874 0.266819 O\n0.062599 0.856231 0.316744 O\n0.312798 0.614755 0.811547 O\n0.187202 0.114755 0.188452 O\n0.521116 0.420893 0.974257 O\n0.271778 0.821172 0.075468 O\n0.021115 0.579107 0.525743 O\n0.478885 0.079107 0.474257 O\n0.687202 0.885245 0.311548 O\n0.437402 0.356231 0.683256 O\n0.937402 0.643769 0.816743 O\n0.562599 0.143769 0.183256 O\n0.728223 0.678828 0.575468 O\n0.178793 0.929874 0.733181 O\n0.228223 0.321172 0.924531 O\n0.771778 0.178828 0.424532 O\n0.978885 0.920893 0.025743 O\n0.812798 0.385245 0.688452 O\n",
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{
"id": "jvasp-88224",
"created_at": "2022-09-04T14:36:21.236031Z",
"updated_at": "2022-09-04T14:36:21.236068Z",
"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
"nsites": 36,
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"elements": [
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"density_atomic": 0.07464014827116727,
"volume": 482.31415443083245,
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"formula_full": "Rb2 Ti4 P6 O24",
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{
"id": "jvasp-96932",
"created_at": "2022-09-04T14:35:53.969376Z",
"updated_at": "2022-09-04T14:35:53.969401Z",
"structure_string": "Rb2 Th4 P6 O24\n1.0\n6.469550 0.000000 -2.517021\n-0.629910 7.961376 -1.619068\n0.003553 0.009205 9.582049\nRb Th P O\n2 4 6 24\ndirect\n0.597460 0.250000 0.000000 Rb\n0.402540 0.750000 -0.000000 Rb\n0.247148 0.533543 0.308498 Th\n0.061349 0.033543 0.308498 Th\n0.938650 0.966458 0.691502 Th\n0.752851 0.466458 0.691502 Th\n0.099300 0.250000 -0.000000 P\n0.398732 0.818507 0.618890 P\n0.601267 0.181494 0.381110 P\n0.220157 0.318507 0.618890 P\n0.779843 0.681494 0.381110 P\n0.900701 0.750000 0.000000 P\n0.400267 0.067395 0.306926 O\n0.044576 0.245192 0.143813 O\n0.174414 0.331205 0.448882 O\n0.740863 0.153685 0.287677 O\n0.274468 0.831205 0.448882 O\n0.449892 0.629480 0.593981 O\n0.855911 0.870521 0.406019 O\n0.599733 0.932606 0.693074 O\n0.245073 0.411466 0.052213 O\n0.754927 0.588536 0.947787 O\n0.546814 0.653685 0.287677 O\n0.099237 0.745192 0.143813 O\n0.807140 0.911466 0.052213 O\n0.550108 0.370521 0.406019 O\n0.955424 0.754809 0.856187 O\n0.900763 0.254809 0.856187 O\n0.906659 0.567395 0.306926 O\n0.259137 0.846316 0.712323 O\n0.144089 0.129480 0.593981 O\n0.093340 0.432606 0.693074 O\n0.192859 0.088535 0.947787 O\n0.453186 0.346316 0.712323 O\n0.725531 0.168796 0.551118 O\n0.825586 0.668796 0.551118 O\n",
"nsites": 36,
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],
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"formula_full": "Rb2 Th4 P6 O24",
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{
"id": "jvasp-96504",
"created_at": "2022-09-04T14:35:46.806579Z",
"updated_at": "2022-09-04T14:35:46.806596Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.050105 -0.023563 0.265079\n2.311766 4.489974 0.265079\n0.048045 0.029148 8.308713\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Ta\n0.638881 0.638879 0.706766 P\n0.361122 0.361121 0.293234 P\n0.319209 0.319209 0.122950 O\n0.776678 0.303687 0.663064 O\n0.223324 0.696313 0.336935 O\n0.303688 0.776677 0.663064 O\n0.696315 0.223324 0.336935 O\n0.680793 0.680792 0.877050 O\n0.218527 0.218526 0.421090 O\n0.781476 0.781474 0.578910 O\n",
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],
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{
"id": "jvasp-97409",
"created_at": "2022-09-04T14:35:45.676756Z",
"updated_at": "2022-09-04T14:35:45.676767Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n",
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{
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"created_at": "2022-09-04T14:38:15.435742Z",
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"structure_string": "Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n",
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{
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"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
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"formula_full": "Rb4 P4 O12",
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},
{
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"created_at": "2022-09-04T14:37:14.667824Z",
"updated_at": "2022-09-04T14:37:14.667844Z",
"structure_string": "Rb2 P2 O6\n1.0\n4.858536 0.000000 0.000000\n0.000000 5.379426 -2.483997\n0.000000 -0.003783 7.056334\nRb P O\n2 2 6\ndirect\n0.250000 0.648940 0.297844 Rb\n0.750001 0.351064 0.702155 Rb\n0.250000 0.919037 0.838094 P\n0.750001 0.080964 0.161906 P\n0.750001 0.358124 0.279347 O\n0.750001 0.921317 0.279444 O\n0.250000 0.641877 0.720646 O\n0.250000 0.078692 0.720564 O\n0.500000 -0.000006 0.000000 O\n-0.000000 -0.000006 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:56.560897Z",
"updated_at": "2022-09-04T14:37:56.560917Z",
"structure_string": "Rb8 P1 O3\n1.0\n7.116913 -0.000000 0.000000\n-0.000000 7.116913 -0.000000\n0.000000 -0.000000 7.116913\nRb P O\n8 1 3\ndirect\n0.263683 0.263683 0.263683 Rb\n0.736317 0.736317 0.263683 Rb\n0.736317 0.263683 0.736317 Rb\n0.263683 0.736317 0.736317 Rb\n0.263683 0.263683 0.736317 Rb\n0.736317 0.736317 0.736317 Rb\n0.736317 0.263683 0.263683 Rb\n0.263683 0.736317 0.263683 Rb\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"formula_full": "Rb8 P1 O3",
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{
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"structure_string": "Pr1 O1\n1.0\n3.119389 -0.000000 1.800981\n1.039797 2.940989 1.800981\n-0.000000 -0.000000 3.601961\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500001 0.500000 0.499999 O\n",
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}
]
}