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{
"id": "jvasp-98091",
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"structure_string": "Sr2 V12 O22\n1.0\n5.972979 0.000000 0.000000\n-2.986490 5.172751 -0.000000\n-0.000000 0.000000 13.319985\nSr V O\n2 12 22\ndirect\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.250000 Sr\n0.500000 0.000000 0.500000 V\n-0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.644467 V\n0.666667 0.333333 0.250000 V\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.355532 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.144468 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.855532 V\n0.333333 0.666667 0.750000 V\n0.829795 0.170205 0.573184 O\n0.170205 0.340410 0.426816 O\n0.333333 0.666667 0.592515 O\n0.340410 0.170205 0.926816 O\n0.829795 0.659590 0.573184 O\n0.170205 0.829795 0.426816 O\n0.876830 0.123170 0.750000 O\n0.170205 0.340410 0.073184 O\n0.876830 0.753660 0.750000 O\n0.829795 0.170205 0.926816 O\n0.340410 0.170205 0.573184 O\n0.123170 0.876830 0.250000 O\n0.659590 0.829795 0.073184 O\n0.666667 0.333333 0.407485 O\n0.123170 0.246339 0.250000 O\n0.246339 0.123170 0.750000 O\n0.666667 0.333333 0.092515 O\n0.333333 0.666667 0.907485 O\n0.170205 0.829795 0.073184 O\n0.753660 0.876830 0.250000 O\n0.829795 0.659590 0.926816 O\n0.659590 0.829795 0.426816 O\n",
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{
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"updated_at": "2022-09-04T14:35:45.029491Z",
"structure_string": "K8 Mn4 P8 O28\n1.0\n5.510790 0.000000 0.000000\n0.000000 9.296747 -2.355718\n0.000000 0.016487 12.576410\nK Mn P O\n8 4 8 28\ndirect\n0.739058 0.371039 0.854266 K\n0.760942 0.871039 0.354266 K\n0.279196 0.358335 0.320522 K\n0.260942 0.628961 0.145734 K\n0.720804 0.641665 0.679478 K\n0.239058 0.128961 0.645734 K\n0.220804 0.858336 0.820522 K\n0.779196 0.141665 0.179478 K\n0.759990 0.747942 0.981749 Mn\n0.259990 0.752059 0.518251 Mn\n0.740010 0.247941 0.481749 Mn\n0.240010 0.252059 0.018251 Mn\n0.254478 0.033776 0.362843 P\n0.282324 0.943629 0.119522 P\n0.717676 0.056372 0.880477 P\n0.217676 0.443629 0.619523 P\n0.782324 0.556372 0.380477 P\n0.754478 0.466224 0.137157 P\n0.745522 0.966225 0.637157 P\n0.245522 0.533776 0.862843 P\n0.694459 0.575666 0.258593 O\n0.194459 0.924335 0.241407 O\n0.736209 0.070575 0.563136 O\n0.462424 0.635826 0.883036 O\n0.236209 0.429426 0.936864 O\n0.263791 0.929426 0.436864 O\n0.305541 0.424335 0.741407 O\n0.401644 0.351207 0.543347 O\n0.540351 0.880897 0.107304 O\n0.598356 0.648794 0.456652 O\n0.459648 0.119104 0.892696 O\n0.003229 0.607334 0.852865 O\n0.772288 0.395469 0.374192 O\n0.959648 0.380897 0.607304 O\n0.227712 0.604531 0.625808 O\n0.098356 0.851207 0.043347 O\n0.805541 0.075666 0.758593 O\n-0.003229 0.392667 0.147135 O\n0.727712 0.895470 0.874192 O\n0.763791 0.570575 0.063136 O\n0.272288 0.104531 0.125808 O\n0.040351 0.619104 0.392696 O\n0.537576 0.364174 0.116964 O\n0.037576 0.135826 0.383036 O\n0.503229 0.892667 0.647135 O\n0.962424 0.864175 0.616964 O\n0.496771 0.107333 0.352865 O\n0.901644 0.148794 0.956653 O\n",
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],
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"formula_full": "K8 Mn4 P8 O28",
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},
{
"id": "jvasp-98088",
"created_at": "2022-09-04T14:35:41.869616Z",
"updated_at": "2022-09-04T14:35:41.869634Z",
"structure_string": "Sr1 V4 Bi6 O20\n1.0\n7.122315 -0.003460 -0.555906\n-3.166318 6.968572 -2.227568\n-0.060135 -0.017624 9.333971\nSr V Bi O\n1 4 6 20\ndirect\n-0.000000 0.500000 -0.000000 Sr\n0.052104 0.775733 0.755923 V\n0.652648 0.102035 0.738273 V\n0.947896 0.224267 0.244076 V\n0.347352 0.897965 0.261726 V\n0.568881 0.704001 0.917311 Bi\n0.191792 0.214845 0.669419 Bi\n0.808208 0.785156 0.330580 Bi\n0.431119 0.295999 0.082688 Bi\n0.657421 0.370449 0.487837 Bi\n0.342579 0.629552 0.512163 Bi\n0.113143 0.739190 0.279433 O\n0.634324 0.867540 0.686876 O\n0.869645 0.663940 0.849175 O\n0.324011 0.415271 0.899956 O\n0.457173 0.115800 0.626073 O\n0.675988 0.584730 0.100043 O\n0.241638 0.688673 0.757147 O\n0.452524 0.471755 0.636169 O\n0.547476 0.528245 0.363831 O\n0.941977 0.699111 0.563740 O\n0.646687 0.190032 0.926632 O\n0.353313 0.809968 0.073367 O\n0.058023 0.300889 0.436260 O\n0.156027 0.024328 0.833652 O\n0.365675 0.132460 0.313123 O\n0.758362 0.311328 0.242852 O\n0.542827 0.884200 0.373926 O\n0.843973 0.975672 0.166347 O\n0.886857 0.260811 0.720567 O\n0.130355 0.336060 0.150824 O\n",
"nsites": 31,
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"elements": [
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],
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"volume": 462.6207439673398,
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"formula_full": "Sr1 V4 Bi6 O20",
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},
{
"id": "jvasp-98086",
"created_at": "2022-09-04T14:35:45.052269Z",
"updated_at": "2022-09-04T14:35:45.052297Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n5.448050 0.003106 -0.459791\n-0.095689 7.084608 -1.104709\n0.024422 0.025087 14.759913\nBa Na Ca Ti Si S O\n4 2 1 3 4 2 26\ndirect\n0.415060 0.167827 0.618901 Ba\n0.933045 0.704918 0.705194 Ba\n0.001518 0.996448 0.016279 Ba\n0.483234 0.458242 0.930332 Ba\n0.708850 0.577144 0.317726 Na\n0.207903 0.317827 0.318120 Na\n0.209770 0.856863 0.317493 Ca\n0.391019 0.643591 0.520381 Ti\n0.709211 0.093660 0.318054 Ti\n0.025519 0.520693 0.114877 Ti\n0.529373 0.241088 0.128412 Si\n0.885816 0.922871 0.508026 Si\n0.530708 0.804939 0.125376 Si\n0.887422 0.358462 0.509195 Si\n0.953091 0.283132 0.795009 S\n0.462878 0.880151 0.840528 S\n0.247871 0.785142 0.872329 O\n0.168290 0.377799 0.763172 O\n0.546625 0.838391 0.235861 O\n0.967334 0.051335 0.242995 O\n0.271880 0.696922 0.078779 O\n0.546153 0.273679 0.238897 O\n0.368960 0.611867 0.403810 O\n0.439578 0.850921 0.737388 O\n0.692385 0.785237 0.872113 O\n0.870843 0.889355 0.397665 O\n0.451174 0.096092 0.393233 O\n0.762292 0.323091 0.081790 O\n0.047602 0.562740 0.231423 O\n0.976187 0.312747 0.898191 O\n0.870492 0.324090 0.398571 O\n0.654220 0.841368 0.555408 O\n0.143267 0.841865 0.553749 O\n0.273073 0.322291 0.082551 O\n0.763649 0.695940 0.076947 O\n0.653147 0.467521 0.556715 O\n0.145114 0.466793 0.555805 O\n0.471634 0.081469 0.879648 O\n0.943911 0.081757 0.756123 O\n0.899998 0.153545 0.551020 O\n0.723819 0.378245 0.763298 O\n0.516876 0.010869 0.084514 O\n",
"nsites": 42,
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"elements": [
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],
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"density": 3.9957652648864115,
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"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
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},
{
"id": "jvasp-98083",
"created_at": "2022-09-04T14:35:42.627827Z",
"updated_at": "2022-09-04T14:35:42.627838Z",
"structure_string": "Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n",
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{
"id": "jvasp-98080",
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"structure_string": "Pr16 B40 O84\n1.0\n7.157170 0.011181 0.000000\n-0.532128 9.553768 0.000000\n0.000000 0.000000 19.643236\nPr B O\n16 40 84\ndirect\n0.860120 0.336176 0.082949 Pr\n0.603637 0.675895 0.793777 Pr\n0.103637 0.175895 0.706223 Pr\n0.156408 0.156931 0.919253 Pr\n0.360120 0.836176 0.417051 Pr\n0.139880 0.663824 0.917051 Pr\n0.639880 0.163824 0.582949 Pr\n0.656408 0.656931 0.580747 Pr\n0.396363 0.324105 0.206223 Pr\n0.626444 0.161755 0.799406 Pr\n0.373555 0.838245 0.200594 Pr\n0.343592 0.343069 0.419253 Pr\n0.873556 0.338245 0.299406 Pr\n0.843592 0.843069 0.080747 Pr\n0.896363 0.824106 0.293777 Pr\n0.126444 0.661755 0.700594 Pr\n0.202681 0.601722 0.523882 B\n0.181839 0.118885 0.296952 B\n0.526213 0.056065 0.095031 B\n0.015519 0.054597 0.405911 B\n0.818161 0.881115 0.703048 B\n0.681839 0.618885 0.203048 B\n0.290847 0.879099 0.792781 B\n0.297319 0.898278 0.023882 B\n0.299322 0.361002 0.577179 B\n0.484480 0.445403 0.905912 B\n0.194270 0.633211 0.071438 B\n0.545877 0.545005 0.312521 B\n0.062966 0.545327 0.177031 B\n0.973787 0.443935 0.595031 B\n0.692518 0.604132 0.978717 B\n0.515519 0.554597 0.094089 B\n0.192519 0.104132 0.521283 B\n0.305729 0.866789 0.571438 B\n0.805730 0.366789 0.928562 B\n0.797319 0.398278 0.476118 B\n0.984480 0.945404 0.594089 B\n0.209153 0.620901 0.292781 B\n0.437033 0.954673 0.677031 B\n0.200677 0.138998 0.077179 B\n0.045877 0.045005 0.187479 B\n0.026213 0.556065 0.404969 B\n0.307481 0.395868 0.021283 B\n0.807481 0.895868 0.478717 B\n0.318161 0.381115 0.796953 B\n0.700677 0.638998 0.422821 B\n0.954123 0.954995 0.812521 B\n0.473787 0.943935 0.904969 B\n0.562966 0.045327 0.322969 B\n0.694270 0.133211 0.428562 B\n0.454123 0.454995 0.687479 B\n0.709153 0.120901 0.207219 B\n0.790847 0.379099 0.707220 B\n0.937033 0.454673 0.822969 B\n0.799322 0.861002 0.922822 B\n0.702681 0.101722 0.976118 B\n0.956939 0.914195 0.428557 O\n0.125465 0.356754 0.613991 O\n0.625464 0.856754 0.886010 O\n0.128018 0.017914 0.343305 O\n0.295981 0.972464 0.518209 O\n0.835609 0.226984 0.958225 O\n0.043061 0.085805 0.571443 O\n0.226998 0.080314 0.230494 O\n0.335609 0.726984 0.541775 O\n0.374535 0.143246 0.113990 O\n0.704018 0.027536 0.481791 O\n0.852213 0.132197 0.381320 O\n0.670361 0.775208 0.460272 O\n0.147787 0.867803 0.618680 O\n0.429621 0.094805 0.687146 O\n0.961306 0.873574 0.874809 O\n0.450679 0.603579 0.677293 O\n0.829639 0.724793 0.960272 O\n0.132610 0.139512 0.451887 O\n0.273002 0.419686 0.730494 O\n0.186945 0.025503 0.026366 O\n0.038694 0.126426 0.125192 O\n0.842239 0.372491 0.548009 O\n0.694957 0.756637 0.188096 O\n0.544790 0.085591 0.928083 O\n0.456939 0.414195 0.071443 O\n0.783300 0.236413 0.684304 O\n0.329639 0.224792 0.539729 O\n0.013161 0.597867 0.112927 O\n0.070379 0.405195 0.187146 O\n0.870143 0.481963 0.658918 O\n0.129857 0.518037 0.341083 O\n0.044790 0.585591 0.571918 O\n0.587308 0.138473 0.270338 O\n0.647787 0.367803 0.881320 O\n0.632609 0.639512 0.048113 O\n0.391046 0.579324 0.265168 O\n0.371982 0.482086 0.843305 O\n0.455209 0.914409 0.071917 O\n0.342239 0.872491 0.951992 O\n0.813055 0.974497 0.973634 O\n0.513162 0.097867 0.387073 O\n0.871982 0.982086 0.656695 O\n0.955210 0.414409 0.428083 O\n0.283300 0.736413 0.815697 O\n0.194957 0.256637 0.311904 O\n0.087308 0.638473 0.229663 O\n0.305042 0.243363 0.811904 O\n0.664390 0.273016 0.458225 O\n0.313055 0.474497 0.526367 O\n0.170361 0.275208 0.039729 O\n0.716700 0.263587 0.184304 O\n0.795982 0.472464 0.981791 O\n0.805042 0.743363 0.688096 O\n0.543061 0.585805 0.928557 O\n0.108954 0.920677 0.765168 O\n0.486838 0.902133 0.612927 O\n0.049321 0.896421 0.177293 O\n0.461306 0.373574 0.625192 O\n0.412691 0.861527 0.729663 O\n0.370143 0.981963 0.841083 O\n0.367390 0.360489 0.951887 O\n0.204018 0.527536 0.018209 O\n0.867390 0.860489 0.548113 O\n0.538694 0.626426 0.374808 O\n0.874535 0.643246 0.386010 O\n0.986838 0.402133 0.887073 O\n0.773001 0.919686 0.769506 O\n0.891046 0.079324 0.234832 O\n0.628018 0.517914 0.156695 O\n0.912691 0.361527 0.770338 O\n0.629857 0.018037 0.158917 O\n0.929621 0.594805 0.812854 O\n0.657760 0.127509 0.048009 O\n0.164390 0.773016 0.041775 O\n0.352213 0.632197 0.118680 O\n0.950679 0.103579 0.822707 O\n0.726998 0.580314 0.269506 O\n0.216699 0.763587 0.315697 O\n0.157760 0.627509 0.451992 O\n0.686944 0.525503 0.473634 O\n0.608954 0.420676 0.734832 O\n0.570379 0.905195 0.312854 O\n0.549321 0.396421 0.322707 O\n",
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],
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"formula_full": "Pr16 B40 O84",
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{
"id": "jvasp-98078",
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