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{
"id": "mp-1185979",
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"structure_string": "Mn3 Zn1\n1.0\n0.000000 2.912927 2.912927\n2.912927 0.000000 2.912927\n2.912927 2.912927 0.000000\nMn Zn\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Zn\n",
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{
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"formula_full": "Ba4 Ca1 Nd3 Co8 O22",
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"spacegroup": 42
},
{
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"created_at": "2022-09-04T14:46:57.237670Z",
"structure_string": "K6 Cr6 As3 H3 O30\n1.0\n3.922073 -6.793230 0.000000\n3.922073 6.793230 0.000000\n0.000000 0.000000 14.745529\nK Cr As H O\n6 6 3 3 30\ndirect\n0.020701 0.566748 0.679960 K\n0.546047 0.979299 0.013293 K\n0.433252 0.453953 0.346626 K\n0.396530 0.390783 0.852248 K\n0.994252 0.603470 0.185581 K\n0.609217 0.005748 0.518915 K\n0.579876 0.997365 0.763828 Cr\n0.417488 0.420124 0.097162 Cr\n0.002635 0.582512 0.430495 Cr\n0.994854 0.571330 0.940428 Cr\n0.576476 0.005146 0.273761 Cr\n0.428670 0.423524 0.607095 Cr\n0.896011 0.875528 0.835537 As\n0.979518 0.103989 0.168870 As\n0.124472 0.020482 0.502203 As\n0.963325 0.965626 0.643893 H\n0.002301 0.036675 0.977226 H\n0.034374 0.997699 0.310559 H\n0.414112 0.856795 0.689981 O\n0.442684 0.585888 0.023314 O\n0.143205 0.557316 0.356648 O\n0.490300 0.090849 0.835075 O\n0.600549 0.509700 0.168409 O\n0.909151 0.399451 0.501742 O\n0.767460 0.168811 0.710275 O\n0.401352 0.232540 0.043608 O\n0.831189 0.598648 0.376941 O\n0.660380 0.849767 0.831397 O\n0.189387 0.339620 0.164730 O\n0.150233 0.810613 0.498064 O\n0.008973 0.913777 0.735798 O\n0.904804 0.991027 0.069131 O\n0.086223 0.095196 0.402464 O\n0.046579 0.063456 0.909672 O\n0.016877 0.953421 0.243005 O\n0.936544 0.983123 0.576339 O\n0.832702 0.644912 0.881415 O\n0.812210 0.167298 0.214748 O\n0.355088 0.187790 0.548082 O\n0.855877 0.374336 0.999159 O\n0.518459 0.144123 0.332492 O\n0.625664 0.481541 0.665826 O\n0.123047 0.532079 0.864966 O\n0.409032 0.876953 0.198299 O\n0.467921 0.590968 0.531633 O\n0.139580 0.747932 0.008498 O\n0.608353 0.860420 0.341831 O\n0.252068 0.391647 0.675165 O\n",
"nsites": 48,
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"elements": [
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"volume": 785.7463004206629,
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"formula_full": "K6 Cr6 As3 H3 O30",
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{
"id": "mp-1238774",
"created_at": "2022-09-04T14:46:57.173864Z",
"structure_string": "Na8 V8 P8 O32 F8\n1.0\n6.376216 0.000000 0.000000\n0.000000 10.797498 0.000000\n0.000000 0.000000 12.885335\nNa V P O F\n8 8 8 32 8\ndirect\n0.773457 0.278382 0.355714 Na\n0.226543 0.778382 0.644286 Na\n0.726543 0.278382 0.855714 Na\n0.273457 0.778382 0.144286 Na\n0.794163 0.047857 0.103397 Na\n0.205837 0.547857 0.896603 Na\n0.705837 0.047857 0.603397 Na\n0.294163 0.547857 0.396603 Na\n0.499197 0.006358 0.382759 V\n0.500803 0.506358 0.617241 V\n0.000803 0.006358 0.882759 V\n0.999197 0.506358 0.117241 V\n0.250576 0.250903 0.241495 V\n0.749424 0.750903 0.758505 V\n0.249424 0.250903 0.741495 V\n0.750576 0.750903 0.258505 V\n0.339349 0.264160 0.491687 P\n0.660651 0.764160 0.508313 P\n0.160651 0.264160 0.991687 P\n0.839349 0.764160 0.008313 P\n0.501679 0.505331 0.182889 P\n0.498321 0.005331 0.817111 P\n0.998321 0.505331 0.682889 P\n0.001679 0.005331 0.317111 P\n0.504577 0.159334 0.477215 O\n0.495423 0.659334 0.522785 O\n0.995423 0.159334 0.977215 O\n0.004577 0.659334 0.022785 O\n0.467446 0.387621 0.498476 O\n0.532554 0.887621 0.501524 O\n0.032554 0.387621 0.998476 O\n0.967446 0.887621 0.001524 O\n0.192332 0.274314 0.395914 O\n0.807668 0.774314 0.604086 O\n0.307668 0.274314 0.895914 O\n0.692332 0.774314 0.104086 O\n0.205137 0.240588 0.589148 O\n0.794863 0.740588 0.410852 O\n0.294863 0.240588 0.089148 O\n0.705137 0.740588 0.910852 O\n0.310398 0.533895 0.113107 O\n0.689602 0.033895 0.886893 O\n0.189602 0.533895 0.613107 O\n0.810398 0.033895 0.386893 O\n0.692781 0.488482 0.112500 O\n0.307219 0.988482 0.887500 O\n0.807219 0.488482 0.612500 O\n0.192781 0.988482 0.387500 O\n0.528801 0.617284 0.259174 O\n0.471199 0.117284 0.740826 O\n0.971199 0.617284 0.759174 O\n0.028801 0.117284 0.240826 O\n0.463338 0.389790 0.252880 O\n0.536662 0.889790 0.747120 O\n0.036662 0.389790 0.752880 O\n0.963338 0.889790 0.247120 O\n0.509417 0.872752 0.273021 F\n0.490583 0.372752 0.726979 F\n0.990583 0.872752 0.773021 F\n0.009417 0.372752 0.226979 F\n0.491488 0.127949 0.261377 F\n0.508512 0.627949 0.738623 F\n0.008512 0.127949 0.761377 F\n0.991488 0.627949 0.238623 F\n",
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"formula_full": "Na8 V8 P8 O32 F8",
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},
{
"id": "mp-1210486",
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"structure_string": "Na2 H20 C12 N14 O14\n1.0\n7.009280 0.129065 0.346220\n3.460521 7.725800 3.182099\n0.110020 0.041607 11.611892\nNa H C N O\n2 20 12 14 14\ndirect\n0.227669 0.312700 0.051856 Na\n0.772331 0.687300 0.948144 Na\n0.583241 0.200285 0.339531 H\n0.416759 0.799715 0.660469 H\n0.175244 0.001217 0.094984 H\n0.824756 0.998783 0.905016 H\n0.320425 0.003155 0.991766 H\n0.679575 0.996845 0.008234 H\n0.126473 0.634060 0.117765 H\n0.873527 0.365940 0.882235 H\n0.209492 0.656780 0.987788 H\n0.790508 0.343220 0.012212 H\n0.554493 0.558461 0.154829 H\n0.445507 0.441539 0.845171 H\n0.522062 0.167487 0.746592 H\n0.477938 0.832513 0.253408 H\n0.768178 0.506551 0.223701 H\n0.231822 0.493449 0.776299 H\n0.584986 0.120599 0.626518 H\n0.415014 0.879401 0.373482 H\n0.330438 0.417444 0.556484 H\n0.669562 0.582556 0.443516 H\n0.084262 0.665640 0.508636 C\n0.915738 0.334360 0.491364 C\n0.101441 0.197175 0.358958 C\n0.898559 0.802825 0.641042 C\n0.191235 0.048436 0.571098 C\n0.808765 0.951564 0.428902 C\n0.265078 0.531710 0.362243 C\n0.734922 0.468290 0.637757 C\n0.724387 0.095832 0.205184 C\n0.275613 0.904168 0.794816 C\n0.008382 0.187219 0.717508 C\n0.991618 0.812781 0.282492 C\n0.038406 0.190296 0.594253 N\n0.961594 0.809704 0.405747 N\n0.223301 0.047476 0.459293 N\n0.776699 0.952524 0.540707 N\n0.696047 0.090385 0.327078 N\n0.303953 0.909615 0.672922 N\n0.137524 0.673761 0.264889 N\n0.862476 0.326239 0.735111 N\n0.233348 0.531086 0.483114 N\n0.766652 0.468914 0.516886 N\n0.056728 0.659344 0.622171 N\n0.943272 0.340656 0.377829 N\n0.123882 0.045625 0.813194 N\n0.876118 0.954375 0.186806 N\n0.485756 0.210158 0.656683 O\n0.514244 0.789842 0.343317 O\n0.307662 0.010744 0.073978 O\n0.692338 0.989256 0.926022 O\n0.408125 0.402353 0.349213 O\n0.591875 0.597647 0.650787 O\n0.121515 0.607576 0.042383 O\n0.878485 0.392424 0.957617 O\n0.609527 0.230331 0.118402 O\n0.390473 0.769669 0.881598 O\n0.133234 0.200560 0.252169 O\n0.866766 0.799440 0.747831 O\n0.670242 0.592766 0.148904 O\n0.329758 0.407234 0.851096 O\n",
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"updated_at": "2021-11-28T01:37:49.651000Z",
"spacegroup": 2
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{
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"structure_string": "Cs2 K1 Pr1 Br6\n1.0\n0.000000 6.081291 6.081291\n6.081291 0.000000 6.081291\n6.081291 6.081291 0.000000\nCs K Pr Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pr\n0.761056 0.238944 0.238944 Br\n0.238944 0.238944 0.761056 Br\n0.238944 0.761056 0.761056 Br\n0.238944 0.761056 0.238944 Br\n0.761056 0.238944 0.761056 Br\n0.761056 0.761056 0.238944 Br\n",
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{
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"structure_string": "Eu3 Al9 Pd6\n1.0\n0.000000 0.000000 -4.340427\n-4.834611 -8.373793 0.000000\n-4.833890 8.373377 0.000000\nEu Al Pd\n3 9 6\ndirect\n0.500000 0.333319 0.666728 Eu\n0.500000 0.666591 0.333272 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.302458 0.000000 Al\n0.500000 0.697549 0.697557 Al\n0.500000 0.999993 0.302443 Al\n0.500000 0.697541 0.000000 Al\n0.500000 0.302449 0.302445 Al\n0.500000 0.000004 0.697555 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500001 Al\n0.000000 0.999999 0.499999 Al\n0.000000 0.183988 0.367977 Pd\n0.000000 0.183971 0.816022 Pd\n0.000000 0.632051 0.816023 Pd\n0.000000 0.816011 0.632023 Pd\n0.000000 0.367949 0.183978 Pd\n0.000000 0.816029 0.183977 Pd\n",
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{
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{
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{
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"structure_string": "Li8 Co6 O14\n1.0\n5.102162 0.000000 0.000000\n1.611709 7.507852 0.000000\n2.463959 3.342857 6.471880\nLi Co O\n8 6 14\ndirect\n0.490372 0.787901 0.639275 Li\n0.504732 0.069296 0.781767 Li\n0.500368 0.360247 0.925779 Li\n0.499632 0.639753 0.074221 Li\n0.495268 0.930704 0.218233 Li\n0.509628 0.212099 0.360725 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.993363 0.576005 0.783584 Co\n0.006637 0.423995 0.216416 Co\n0.006654 0.859200 0.925490 Co\n0.993346 0.140800 0.074510 Co\n0.002844 0.718554 0.363936 Co\n0.997156 0.281446 0.636064 Co\n0.238302 0.742028 0.495324 O\n0.228522 0.025233 0.669723 O\n0.208574 0.317429 0.804124 O\n0.227801 0.621766 0.930430 O\n0.216361 0.904508 0.067419 O\n0.216822 0.188872 0.196333 O\n0.240448 0.457871 0.361205 O\n0.783178 0.811128 0.803667 O\n0.783639 0.095492 0.932581 O\n0.772199 0.378234 0.069570 O\n0.791426 0.682571 0.195876 O\n0.771478 0.974767 0.330277 O\n0.761698 0.257972 0.504676 O\n0.759552 0.542129 0.638795 O\n",
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{
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"created_at": "2022-09-04T14:47:00.151731Z",
"structure_string": "K2 Fe1 H4 S2 O10\n1.0\n7.516574 0.000000 0.000000\n-0.477768 5.331914 0.000000\n-2.277237 -2.122498 5.926962\nK Fe H S O\n2 1 4 2 10\ndirect\n0.176613 0.754117 0.801435 K\n0.823387 0.245883 0.198565 K\n0.500000 0.500000 0.500000 Fe\n0.628340 0.868277 0.714292 H\n0.371660 0.131723 0.285708 H\n0.564090 0.840223 0.401778 H\n0.435910 0.159777 0.598222 H\n0.187933 0.276747 0.850110 S\n0.812067 0.723253 0.149890 S\n0.242774 0.412124 0.106525 O\n0.757226 0.587876 0.893475 O\n0.948656 0.145218 0.758743 O\n0.051344 0.854782 0.241257 O\n0.340677 0.167278 0.887423 O\n0.659323 0.832722 0.112577 O\n0.225923 0.399167 0.646022 O\n0.774077 0.600833 0.353979 O\n0.509300 0.791356 0.545677 O\n0.490700 0.208644 0.454323 O\n",
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{
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"created_at": "2022-09-04T14:46:57.535033Z",
"structure_string": "Tm4 Zn4 Ge4\n1.0\n2.114653 -3.662686 0.000000\n2.114653 3.662686 0.000000\n0.000000 0.000000 15.266704\nTm Zn Ge\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.150046 Zn\n0.666667 0.333333 0.849954 Zn\n0.666667 0.333333 0.650046 Zn\n0.333333 0.666667 0.349954 Zn\n0.333333 0.666667 0.611090 Ge\n0.666667 0.333333 0.388910 Ge\n0.666667 0.333333 0.111090 Ge\n0.333333 0.666667 0.888910 Ge\n",
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}