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{
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"results": [
{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
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{
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"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
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{
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"structure_string": "Rb2 Pr2 P6 H2 O20\n1.0\n6.835510 -0.006821 1.928812\n0.386454 7.367973 2.160738\n0.004015 0.011222 8.709748\nRb Pr P H O\n2 2 6 2 20\ndirect\n0.296887 0.303216 0.971959 Rb\n0.703113 0.696783 0.028041 Rb\n0.728551 0.633691 0.508658 Pr\n0.271449 0.366308 0.491342 Pr\n0.821856 0.298678 0.346198 P\n0.831685 0.227540 0.818437 P\n0.168315 0.772460 0.181564 P\n0.356882 0.964248 0.353510 P\n0.178144 0.701321 0.653802 P\n0.643119 0.035751 0.646491 P\n0.811589 0.186250 0.083338 H\n0.188411 0.813749 0.916662 H\n0.632557 0.421850 0.372298 O\n0.041743 0.640526 0.570818 O\n0.701803 0.394163 0.766786 O\n0.298197 0.605836 0.233214 O\n0.905994 0.288237 0.170918 O\n0.950290 0.749662 0.236271 O\n0.374739 0.166106 0.311513 O\n0.788279 0.064172 0.748582 O\n0.539002 0.843749 0.328904 O\n0.367443 0.578149 0.627703 O\n0.094006 0.711763 0.829082 O\n0.211721 0.935827 0.251418 O\n0.766766 0.091140 0.455624 O\n0.625261 0.833894 0.688488 O\n0.049710 0.250338 0.763729 O\n0.460998 0.156250 0.671096 O\n0.958257 0.359474 0.429182 O\n0.758324 0.133674 0.008200 O\n0.233234 0.908860 0.544376 O\n0.241675 0.866326 -0.008200 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.6379407480103776,
"density_atomic": 0.07298189185473979,
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"formula_full": "Rb2 Pr2 P6 H2 O20",
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{
"id": "jvasp-99411",
"created_at": "2022-09-04T14:36:37.144941Z",
"updated_at": "2022-09-04T14:36:37.144980Z",
"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",
"nsites": 4,
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"formula_full": "Rb1 Pr1 O2",
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{
"id": "jvasp-57381",
"created_at": "2022-09-04T14:37:09.807062Z",
"updated_at": "2022-09-04T14:37:09.807072Z",
"structure_string": "Rb2 Pr2 Mo4 O16\n1.0\n6.336099 0.000000 0.000000\n0.000000 6.335769 0.000000\n0.000000 0.000000 9.670830\nRb Pr Mo O\n2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.250004 Mo\n0.000000 0.500000 0.750004 Mo\n0.000000 0.500000 0.249996 Mo\n0.500000 0.000000 0.749996 Mo\n0.882615 0.307888 0.639649 O\n0.617385 0.807888 0.139649 O\n0.617385 0.192112 0.860351 O\n0.807916 0.382594 0.139636 O\n0.882615 0.692112 0.360351 O\n0.307916 0.117406 0.639636 O\n0.117385 0.692112 0.639649 O\n0.307916 0.882594 0.360364 O\n0.807916 0.617406 0.860364 O\n0.117385 0.307888 0.360351 O\n0.692084 0.117406 0.360364 O\n0.692084 0.882594 0.639636 O\n0.382615 0.807888 0.860351 O\n0.192084 0.617406 0.139636 O\n0.192084 0.382594 0.860364 O\n0.382615 0.192112 0.139649 O\n",
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"density": 4.672894992291885,
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"formula_full": "Rb2 Pr2 Mo4 O16",
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{
"id": "jvasp-99886",
"created_at": "2022-09-04T14:36:52.313068Z",
"updated_at": "2022-09-04T14:36:52.313089Z",
"structure_string": "Rb1 P2 Rh2\n1.0\n3.785134 -0.015480 -6.312311\n-0.303341 3.772992 -6.312311\n0.014344 0.015480 7.360184\nRb P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.344143 0.344143 -0.000000 P\n0.655856 0.655856 -0.000000 P\n0.749999 0.250000 0.499999 Rh\n0.249999 0.750000 0.499999 Rh\n",
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"formula_full": "Rb1 P2 Rh2",
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{
"id": "jvasp-38298",
"created_at": "2022-09-04T14:38:04.865521Z",
"updated_at": "2022-09-04T14:38:04.865553Z",
"structure_string": "Rb1 Pr3\n1.0\n-2.693460 2.693460 5.427784\n2.693460 -2.693460 5.427784\n2.693460 2.693460 -5.427784\nRb Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750001 0.250000 0.500001 Pr\n0.250000 0.750001 0.500001 Pr\n0.500000 0.500000 0.000000 Pr\n",
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},
{
"id": "jvasp-96851",
"created_at": "2022-09-04T14:36:02.193611Z",
"updated_at": "2022-09-04T14:36:02.193640Z",
"structure_string": "Rb4 P4 Pb4 S16\n1.0\n6.512040 0.000000 0.000000\n0.000000 6.749466 0.000000\n0.000000 0.000000 17.177215\nRb P Pb S\n4 4 4 16\ndirect\n0.006652 0.004970 0.042111 Rb\n0.506652 0.495030 0.957889 Rb\n0.993348 0.504970 0.457889 Rb\n0.493348 0.995031 0.542111 Rb\n0.221038 0.011281 0.347475 P\n0.278962 0.988720 0.847476 P\n0.721038 0.488719 0.652525 P\n0.778962 0.511281 0.152525 P\n0.213678 0.524132 0.728972 Pb\n0.713678 0.975869 0.271028 Pb\n0.786322 0.024132 0.771029 Pb\n0.286322 0.475868 0.228972 Pb\n0.461800 0.492624 0.584854 S\n0.389907 0.758228 0.367277 S\n0.849740 0.533074 0.270313 S\n0.594716 0.749267 0.126118 S\n0.094716 0.750734 0.873882 S\n0.650260 0.466927 0.770313 S\n0.110093 0.241773 0.867277 S\n0.150260 0.033073 0.229687 S\n0.961800 0.007376 0.415146 S\n0.889907 0.741773 0.632723 S\n0.905284 0.250734 0.626119 S\n0.405284 0.249266 0.373882 S\n0.538199 0.992625 0.915146 S\n0.349740 0.966927 0.729687 S\n0.038200 0.507376 0.084854 S\n0.610093 0.258228 0.132723 S\n",
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{
"id": "jvasp-24974",
"created_at": "2022-09-04T14:38:18.346663Z",
"updated_at": "2022-09-04T14:38:18.346688Z",
"structure_string": "Rb4 P4 O8 F8\n1.0\n6.625416 -0.000000 0.000000\n-0.000000 7.654423 0.000000\n0.000000 0.000000 7.837943\nRb P O F\n4 4 8 8\ndirect\n0.250000 0.355547 0.631887 Rb\n0.750000 0.855547 0.868112 Rb\n0.750000 0.644453 0.368112 Rb\n0.250000 0.144453 0.131888 Rb\n0.750000 0.318659 0.880080 P\n0.250000 0.681341 0.119920 P\n0.250000 0.818659 0.619920 P\n0.750000 0.181341 0.380080 P\n0.053459 0.725767 0.619352 O\n0.053459 0.774233 0.119353 O\n0.446541 0.725767 0.619352 O\n0.553459 0.274233 0.380647 O\n0.946542 0.225767 0.880647 O\n0.553459 0.225767 0.880647 O\n0.446541 0.774233 0.119353 O\n0.946542 0.274233 0.380647 O\n0.750000 0.455307 0.725575 F\n0.750000 0.038437 0.529102 F\n0.250000 0.955307 0.774424 F\n0.250000 0.544693 0.274424 F\n0.750000 0.044693 0.225575 F\n0.250000 0.961563 0.470898 F\n0.750000 0.461563 0.029102 F\n0.250000 0.538437 0.970898 F\n",
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},
{
"id": "jvasp-99055",
"created_at": "2022-09-04T14:36:18.210609Z",
"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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"elements": [
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],
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"density_atomic": 0.06064030989637636,
"volume": 329.8136179412092,
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},
{
"id": "jvasp-34216",
"created_at": "2022-09-04T14:37:14.667824Z",
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"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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"density_atomic": 0.054235922724923016,
"volume": 184.37964171308738,
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"formula_full": "Rb2 P2 O6",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-99574",
"created_at": "2022-09-04T14:36:22.351146Z",
"updated_at": "2022-09-04T14:36:22.351164Z",
"structure_string": "Rb1 P2 Ir2\n1.0\n3.786906 -0.046780 -6.285518\n-0.332582 3.772563 -6.285518\n0.043372 0.046780 7.338018\nRb P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.345634 0.345633 0.000000 P\n0.654368 0.654366 0.000000 P\n0.750001 0.250000 0.500000 Ir\n0.250000 0.749999 0.500000 Ir\n",
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"elements": [
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],
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}
]
}