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{
"id": "jvasp-23321",
"created_at": "2022-09-04T14:37:33.456231Z",
"updated_at": "2022-09-04T14:37:33.456256Z",
"structure_string": "Yb4 Be4 Si4 Ni2 O20\n1.0\n0.000000 4.581494 -0.050595\n7.460362 0.000000 0.000000\n0.000000 -0.001307 -10.057220\nYb Be Si Ni O\n4 4 4 2 20\ndirect\n0.996866 0.394623 0.170540 Yb\n0.003133 0.894623 0.329460 Yb\n0.003133 0.605377 0.829460 Yb\n0.996865 0.105377 0.670540 Yb\n0.447237 0.911763 0.845669 Be\n0.552761 0.088237 0.154332 Be\n0.447238 0.588237 0.345669 Be\n0.552761 0.411763 0.654332 Be\n0.514829 0.780483 0.580679 Si\n0.485169 0.280483 0.919321 Si\n0.485169 0.219517 0.419321 Si\n0.514830 0.719516 0.080679 Si\n-0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.253890 0.422838 0.975016 O\n0.720240 0.196504 0.030634 O\n0.279759 0.696504 0.469366 O\n0.279758 0.803495 0.969366 O\n0.720240 0.303496 0.530634 O\n0.253891 0.077161 0.475016 O\n0.746108 0.577161 0.024984 O\n0.746108 0.922838 0.524984 O\n0.791497 0.586295 0.349862 O\n0.725065 0.604420 0.627282 O\n0.208502 0.086295 0.150139 O\n0.208501 0.413705 0.650139 O\n0.319964 0.669452 0.211622 O\n0.680034 0.169452 0.288379 O\n0.274933 0.104420 0.872719 O\n0.680034 0.330548 0.788379 O\n0.725065 0.895580 0.127282 O\n0.274934 0.395580 0.372719 O\n0.791497 0.913705 0.849862 O\n0.319964 0.830548 0.711622 O\n",
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{
"id": "jvasp-23307",
"created_at": "2022-09-04T14:37:31.588421Z",
"updated_at": "2022-09-04T14:37:31.588439Z",
"structure_string": "Ho4 Ni2 B8 O20\n1.0\n0.000000 4.589043 -0.026664\n7.255706 0.000000 0.000000\n0.000000 -0.153633 -9.297882\nHo Ni B O\n4 2 8 20\ndirect\n0.001862 0.391918 0.166906 Ho\n0.998138 0.891918 0.333093 Ho\n0.001862 0.108082 0.666906 Ho\n0.998138 0.608083 0.833093 Ho\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.525951 0.899998 0.839670 B\n0.474050 0.399998 0.660329 B\n0.525950 0.600003 0.339671 B\n0.474050 0.100003 0.160329 B\n0.455627 0.728845 0.078937 B\n0.455627 0.771156 0.578937 B\n0.544373 0.271156 0.921062 B\n0.544373 0.228845 0.421062 B\n0.649969 0.835527 0.699507 O\n0.779413 0.389596 0.955109 O\n0.220587 0.889597 0.544890 O\n0.220587 0.610404 0.044890 O\n0.779413 0.110404 0.455109 O\n0.649968 0.664474 0.199507 O\n0.350031 0.164474 0.300492 O\n0.350032 0.335527 0.800492 O\n0.630056 0.731419 0.449416 O\n0.683372 0.082988 0.869673 O\n0.369944 0.268581 0.550583 O\n0.630056 0.768582 0.949416 O\n0.788345 0.084193 0.163302 O\n0.316628 0.917012 0.130326 O\n0.316628 0.582989 0.630326 O\n0.683372 0.417012 0.369674 O\n0.211655 0.584193 0.336697 O\n0.788345 0.415808 0.663302 O\n0.369944 0.231419 0.050583 O\n0.211655 0.915808 0.836697 O\n",
"nsites": 34,
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"volume": 309.6189457874664,
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"formula_full": "Ho4 Ni2 B8 O20",
"formula_reduced": "Ho2Ni(B2O5)2",
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{
"id": "jvasp-24301",
"created_at": "2022-09-04T14:38:28.922773Z",
"updated_at": "2022-09-04T14:38:28.922804Z",
"structure_string": "Sr2 Bi4 B8 O20\n1.0\n6.833038 -0.070467 -0.020554\n-1.482924 6.632921 -0.052633\n-3.213245 -1.697588 9.218609\nSr Bi B O\n2 4 8 20\ndirect\n0.035620 0.842190 0.167529 Sr\n0.964381 0.157810 0.832472 Sr\n0.727121 0.632552 0.666709 Bi\n0.272879 0.367447 0.333292 Bi\n0.701278 0.028985 0.403532 Bi\n0.298722 0.971015 0.596469 Bi\n0.590916 0.264007 0.903575 B\n0.799735 0.287800 0.171277 B\n0.409085 0.735992 0.096426 B\n0.200265 0.712199 0.828724 B\n0.844958 0.595787 0.368950 B\n0.602591 0.791680 0.930299 B\n0.397409 0.208320 0.069702 B\n0.155043 0.404213 0.631051 B\n0.885845 0.506609 0.249741 O\n0.924290 0.808578 0.402571 O\n0.062198 0.829979 0.753160 O\n0.261877 0.516243 0.556200 O\n0.114155 0.493390 0.750259 O\n0.788801 0.818893 0.906443 O\n0.582785 0.246969 0.763782 O\n0.937802 0.170020 0.246841 O\n0.738123 0.483757 0.443801 O\n0.598307 0.752153 0.065747 O\n0.783613 0.288090 0.016291 O\n0.211200 0.181107 0.093558 O\n0.358056 0.100818 0.408899 O\n0.582815 0.198213 0.173264 O\n0.417186 0.801786 0.826737 O\n0.417216 0.753031 0.236219 O\n0.641944 0.899181 0.591101 O\n0.075711 0.191421 0.597430 O\n0.216387 0.711909 0.983710 O\n0.401693 0.247847 0.934254 O\n",
"nsites": 34,
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"elements": [
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"density": 5.662302708858507,
"density_atomic": 0.08178199099042041,
"volume": 415.7394505592633,
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"formula_full": "Sr2 Bi4 B8 O20",
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{
"id": "jvasp-20840",
"created_at": "2022-09-04T14:38:33.994014Z",
"updated_at": "2022-09-04T14:38:33.994036Z",
"structure_string": "Sm4 Te8 O22\n1.0\n5.139819 -0.000000 0.848620\n2.455017 6.267761 1.120179\n0.011621 -0.050536 15.919036\nSm Te O\n4 8 22\ndirect\n0.636990 0.700395 0.536814 Sm\n0.125801 0.200396 0.036814 Sm\n0.874200 0.799604 0.963186 Sm\n0.363011 0.299604 0.463186 Sm\n0.649622 0.043343 0.202545 Te\n0.895511 0.456656 0.297455 Te\n0.350379 0.956656 0.797455 Te\n0.104490 0.543343 0.702545 Te\n0.347167 0.617857 0.128727 Te\n0.652834 0.382143 0.871273 Te\n0.906250 0.117856 0.628727 Te\n0.093751 0.882143 0.371273 Te\n0.166975 0.528698 0.055721 O\n0.187849 0.129752 0.369907 O\n0.687508 0.370248 0.130093 O\n0.833026 0.471301 0.944279 O\n0.248606 0.028697 0.555722 O\n0.362291 0.249999 0.750000 O\n0.114575 0.048006 0.901178 O\n0.936240 0.548007 0.401178 O\n0.885426 0.951993 0.098822 O\n0.312493 0.629751 0.869907 O\n0.812152 0.870248 0.630094 O\n0.590216 0.370695 0.328191 O\n0.289104 0.129304 0.171809 O\n0.409785 0.629304 0.671809 O\n0.710897 0.870695 0.828192 O\n0.454146 0.813916 0.046024 O\n0.314088 0.686083 0.453976 O\n0.545854 0.186083 0.953977 O\n0.685913 0.313916 0.546024 O\n0.637709 0.750000 0.250000 O\n0.063760 0.451993 0.598823 O\n0.751395 0.971302 0.444279 O\n",
"nsites": 34,
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"elements": [
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],
"chemical_system": "O-Sm-Te",
"density": 6.390932637702978,
"density_atomic": 0.06628221550521322,
"volume": 512.9581101181784,
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"formula_full": "Sm4 Te8 O22",
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"formula_anonymous": "A2B4C11",
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{
"id": "jvasp-21516",
"created_at": "2022-09-04T14:38:28.532499Z",
"updated_at": "2022-09-04T14:38:28.532533Z",
"structure_string": "Nd4 Te8 O22\n1.0\n5.183348 -0.000000 0.857354\n2.474098 6.322444 1.139511\n0.010409 -0.045074 16.034361\nNd Te O\n4 8 22\ndirect\n0.624775 0.199808 0.037096 Nd\n0.138322 0.699808 0.537096 Nd\n0.861679 0.300192 0.462903 Nd\n0.375226 0.800192 0.962903 Nd\n0.593328 0.884244 0.370648 Te\n0.848221 0.615755 0.129352 Te\n0.406673 0.115756 0.629352 Te\n0.151780 0.384245 0.870648 Te\n0.148307 0.041031 0.203476 Te\n0.851694 0.958969 0.796524 Te\n0.607186 0.541031 0.703475 Te\n0.392815 0.458969 0.296524 Te\n0.667875 0.527885 0.057362 O\n0.950797 0.811221 0.046597 O\n0.808616 0.688778 0.453402 O\n0.332126 0.472115 0.942638 O\n0.746878 0.027886 0.557362 O\n0.862216 0.250000 0.750000 O\n0.313362 0.871152 0.630482 O\n0.185004 0.371152 0.130482 O\n0.686639 0.128848 0.369517 O\n0.191385 0.311222 0.546598 O\n0.049204 0.188779 0.953402 O\n0.432809 0.548431 0.399443 O\n0.380685 0.951569 0.100557 O\n0.567192 0.451569 0.600557 O\n0.619316 0.048431 0.899443 O\n0.090951 0.373070 0.326841 O\n0.790862 0.126930 0.173159 O\n0.909050 0.626930 0.673159 O\n0.209139 0.873070 0.826841 O\n0.137785 0.750000 0.250000 O\n0.814997 0.628848 0.869517 O\n0.253123 0.972114 0.442638 O\n",
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"elements": [
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"density": 6.160099230134753,
"density_atomic": 0.06469005635256327,
"volume": 525.5830944820748,
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"formula_full": "Nd4 Te8 O22",
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"formula_anonymous": "A2B4C11",
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{
"id": "jvasp-98902",
"created_at": "2022-09-04T14:36:01.328333Z",
"updated_at": "2022-09-04T14:36:01.328359Z",
"structure_string": "Ca10 P12 Pd12\n1.0\n4.118191 -0.000003 0.000001\n-0.000005 8.154886 -0.000000\n0.000004 0.000000 19.274739\nCa P Pd\n10 12 12\ndirect\n0.499998 0.992201 0.181771 Ca\n0.999999 0.001219 0.629734 Ca\n0.499998 0.492202 0.818229 Ca\n0.499999 0.507799 0.181771 Ca\n-0.000001 0.998782 0.370266 Ca\n0.499999 0.007799 0.818229 Ca\n0.000001 -0.000000 -0.000000 Ca\n-0.000001 0.498781 0.629734 Ca\n0.999998 0.501219 0.370265 Ca\n-0.000001 0.500000 0.000000 Ca\n0.499999 0.250000 0.942020 P\n-0.000000 0.250000 0.126204 P\n-0.000002 0.750000 0.873797 P\n-0.000001 0.750000 0.244860 P\n0.499998 0.750000 0.426695 P\n0.499999 0.250000 0.573305 P\n0.999999 0.250000 0.755140 P\n0.499999 0.750000 0.576489 P\n-0.000000 0.250000 0.241776 P\n-0.000001 0.750000 0.758224 P\n0.499998 0.750000 0.057980 P\n0.499998 0.250000 0.423511 P\n0.499999 0.500000 0.500000 Pd\n0.499999 0.000000 0.500000 Pd\n-0.000001 0.750000 0.501253 Pd\n0.499998 0.750001 0.699056 Pd\n0.499999 0.750001 0.305748 Pd\n0.500000 0.250000 0.066775 Pd\n0.499999 0.250000 0.300944 Pd\n0.999998 0.250001 0.879269 Pd\n0.499998 0.250000 0.694253 Pd\n0.999997 0.750001 0.120731 Pd\n-0.000000 0.250000 0.498747 Pd\n0.499998 0.750001 0.933225 Pd\n",
"nsites": 34,
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"elements": [
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],
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"volume": 647.3108482173672,
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"formula_full": "Ca10 P12 Pd12",
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{
"id": "jvasp-88480",
"created_at": "2022-09-04T14:35:55.886373Z",
"updated_at": "2022-09-04T14:35:55.886400Z",
"structure_string": "K8 Sr2 Si6 O18\n1.0\n7.191958 -0.000039 0.000000\n-2.758847 6.641763 -0.000000\n0.000000 0.000000 11.064901\nK Sr Si O\n8 2 6 18\ndirect\n0.658296 0.234428 0.750000 K\n0.054465 0.945534 0.000000 K\n0.499938 0.500061 0.000000 K\n0.765572 0.341704 0.250000 K\n0.781755 0.773180 0.750000 K\n0.499938 0.500061 0.500000 K\n0.226819 0.218244 0.250000 K\n0.054465 0.945534 0.500000 K\n0.275815 0.744436 0.750000 Sr\n0.255563 0.724185 0.250000 Sr\n0.590105 0.019875 0.469341 Si\n0.189043 0.259512 0.750000 Si\n0.740488 0.810956 0.250000 Si\n0.980125 0.409895 0.969341 Si\n0.590105 0.019875 0.030659 Si\n0.980125 0.409895 0.530659 Si\n0.738004 0.261996 0.500000 O\n0.973958 0.602364 0.897148 O\n0.114054 0.446965 0.408800 O\n0.548105 0.597593 0.250000 O\n0.201987 0.041248 0.750000 O\n0.958752 0.798013 0.250000 O\n0.397636 0.026041 0.102852 O\n0.402406 0.451895 0.750000 O\n0.052326 0.269551 0.871366 O\n0.553034 0.885946 0.591200 O\n0.738004 0.261996 0.000000 O\n0.730448 0.947674 0.371366 O\n0.730448 0.947674 0.128634 O\n0.114054 0.446965 0.091200 O\n0.973958 0.602364 0.602852 O\n0.397636 0.026041 0.397148 O\n0.553034 0.885946 0.908800 O\n0.052326 0.269551 0.628634 O\n",
"nsites": 34,
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"elements": [
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],
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"density": 2.967475478611411,
"density_atomic": 0.06432826611788642,
"volume": 528.5390397075591,
"volume_molar": 9.361577924335736,
"formula_full": "K8 Sr2 Si6 O18",
"formula_reduced": "K4Sr(SiO3)3",
"formula_anonymous": "AB3C4D9",
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},
{
"id": "jvasp-95386",
"created_at": "2022-09-04T14:35:42.114665Z",
"updated_at": "2022-09-04T14:35:42.114704Z",
"structure_string": "Rb12 Te4 O18\n1.0\n8.108549 -0.025343 -3.295481\n-1.816034 7.902609 -3.295481\n0.006766 0.008470 11.064184\nRb Te O\n12 4 18\ndirect\n0.704518 0.000686 0.969632 Rb\n0.299692 0.500990 0.024325 Rb\n0.499011 0.700309 0.475676 Rb\n0.905859 0.683529 0.763873 Rb\n0.316472 0.094142 0.736127 Rb\n0.094142 0.316471 0.236127 Rb\n0.683530 0.905858 0.263873 Rb\n-0.000686 0.295483 0.530368 Rb\n0.700309 0.499011 0.975676 Rb\n0.000687 0.704517 0.469632 Rb\n0.295483 -0.000686 0.030368 Rb\n0.500990 0.299692 0.524325 Rb\n0.854102 0.145899 0.750000 Te\n0.374254 0.625747 0.750000 Te\n0.625747 0.374253 0.250000 Te\n0.145899 0.854101 0.250000 Te\n0.776752 0.223248 0.250000 O\n0.371180 0.908502 0.286947 O\n0.261482 0.519092 0.539182 O\n0.519092 0.261482 0.039182 O\n0.738519 0.480909 0.460819 O\n0.331894 0.413344 0.755808 O\n0.586657 0.668107 0.744193 O\n0.668108 0.586657 0.244193 O\n0.413344 0.331893 0.255808 O\n0.114300 0.989492 0.409450 O\n0.010509 0.885701 0.090550 O\n0.885702 0.010509 0.590550 O\n0.989492 0.114299 0.909450 O\n0.908502 0.371180 0.786947 O\n0.628821 0.091499 0.713053 O\n0.091499 0.628821 0.213054 O\n0.480909 0.738519 0.960819 O\n0.223249 0.776752 0.750000 O\n",
"nsites": 34,
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"elements": [
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"density": 4.272435539473403,
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"volume": 708.9230203719125,
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"formula_full": "Rb12 Te4 O18",
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{
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"created_at": "2022-09-04T14:35:53.277444Z",
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