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"structure_string": "K16 Mn16 Mo24 O96\n1.0\n10.894561 0.000000 0.000000\n0.000000 12.481288 0.000000\n0.000000 0.000000 18.351980\nK Mn Mo O\n16 16 24 96\ndirect\n0.250000 0.500000 0.943955 K\n0.000000 0.496580 0.750000 K\n0.274564 0.151201 0.462060 K\n0.274564 0.848799 0.962060 K\n0.774564 0.151201 0.537940 K\n0.225436 0.151201 0.962060 K\n0.750000 0.500000 0.556045 K\n0.250000 0.500000 0.443955 K\n0.000000 0.503420 0.250000 K\n0.500000 0.496580 0.250000 K\n0.725436 0.151201 0.037940 K\n0.500000 0.503420 0.750000 K\n0.225436 0.848799 0.462060 K\n0.750000 0.500000 0.056045 K\n0.725436 0.848799 0.537940 K\n0.774564 0.848799 0.037940 K\n0.000000 0.833096 0.250000 Mn\n0.500000 0.833096 0.750000 Mn\n0.750000 0.000000 0.714249 Mn\n0.084481 0.324312 0.097040 Mn\n0.000000 0.166904 0.750000 Mn\n0.250000 0.000000 0.785751 Mn\n0.415519 0.675688 0.097040 Mn\n0.500000 0.166904 0.250000 Mn\n0.084481 0.675688 0.597040 Mn\n0.584481 0.675688 0.402960 Mn\n0.584481 0.324312 0.902960 Mn\n0.750000 0.000000 0.214249 Mn\n0.250000 0.000000 0.285751 Mn\n0.415519 0.324312 0.597040 Mn\n0.915519 0.324312 0.402960 Mn\n0.915519 0.675688 0.902960 Mn\n0.219783 0.699567 0.795227 Mo\n0.424053 0.356515 0.087113 Mo\n0.780217 0.699567 0.704773 Mo\n0.547096 0.022796 0.884086 Mo\n0.280217 0.300433 0.795227 Mo\n0.547096 0.977204 0.384086 Mo\n0.075947 0.356515 0.587113 Mo\n0.924053 0.356515 0.912887 Mo\n0.075947 0.643485 0.087113 Mo\n0.424053 0.643485 0.587113 Mo\n0.952904 0.022796 0.384086 Mo\n0.047096 0.022796 0.115914 Mo\n0.575947 0.356515 0.412887 Mo\n0.047096 0.977204 0.615914 Mo\n0.575947 0.643485 0.912887 Mo\n0.219783 0.300433 0.295227 Mo\n0.719783 0.699567 0.204773 Mo\n0.280217 0.699567 0.295227 Mo\n0.924053 0.643485 0.412887 Mo\n0.952904 0.977204 0.884086 Mo\n0.452904 0.977204 0.115914 Mo\n0.452904 0.022796 0.615914 Mo\n0.719783 0.300433 0.704773 Mo\n0.780217 0.300433 0.204773 Mo\n0.059250 0.501244 0.101525 O\n0.772709 0.662744 0.450237 O\n0.803391 0.172554 0.702319 O\n0.392250 0.025630 0.203071 O\n0.036255 0.682945 0.479420 O\n0.392729 0.847306 0.094642 O\n0.618023 0.975003 0.126154 O\n0.938771 0.716355 0.328377 O\n0.463745 0.317055 0.479420 O\n0.675881 0.402416 0.180455 O\n0.606710 0.301484 0.633161 O\n0.803391 0.827446 0.202319 O\n0.892729 0.152694 0.405358 O\n0.824119 0.402416 0.680455 O\n0.648770 0.669143 0.290730 O\n0.559250 0.498756 0.398475 O\n0.088865 0.068784 0.546820 O\n0.536255 0.317055 0.020580 O\n0.963745 0.317055 0.520580 O\n0.561229 0.716355 0.828377 O\n0.411135 0.931216 0.546820 O\n0.324119 0.597584 0.819545 O\n0.393290 0.301484 0.866839 O\n0.588865 0.068784 0.453180 O\n0.963745 0.682945 0.020580 O\n0.036255 0.317055 0.979420 O\n0.851230 0.669143 0.790730 O\n0.911135 0.068784 0.953180 O\n0.607271 0.152694 0.905358 O\n0.175881 0.597584 0.319545 O\n0.227291 0.337256 0.549763 O\n0.648770 0.330857 0.790730 O\n0.324119 0.402416 0.319545 O\n0.881977 0.024997 0.126154 O\n0.196609 0.827446 0.297681 O\n0.381977 0.975003 0.373846 O\n0.175881 0.402416 0.819545 O\n0.196609 0.172554 0.797681 O\n0.061229 0.716355 0.171623 O\n0.893290 0.301484 0.133161 O\n0.107750 0.974370 0.203071 O\n0.727291 0.337256 0.450237 O\n0.536255 0.682945 0.520580 O\n0.106710 0.301484 0.366839 O\n0.881977 0.975003 0.626154 O\n0.893290 0.698516 0.633161 O\n0.061229 0.283645 0.671623 O\n0.351230 0.330857 0.709270 O\n0.107271 0.152694 0.094642 O\n0.911135 0.931216 0.453180 O\n0.940750 0.501244 0.398475 O\n0.607271 0.847306 0.405358 O\n0.588865 0.931216 0.953180 O\n0.148770 0.330857 0.209270 O\n0.727291 0.662744 0.950237 O\n0.393290 0.698516 0.366839 O\n0.411135 0.068784 0.046820 O\n0.772709 0.337256 0.950237 O\n0.938771 0.283645 0.828377 O\n0.303391 0.827446 0.797681 O\n0.107271 0.847306 0.594642 O\n0.892250 0.025630 0.796929 O\n0.303391 0.172554 0.297681 O\n0.118023 0.024997 0.373846 O\n0.148770 0.669143 0.709270 O\n0.438771 0.283645 0.171623 O\n0.463745 0.682945 0.979420 O\n0.272709 0.337256 0.049763 O\n0.607750 0.974370 0.796929 O\n0.088865 0.931216 0.046820 O\n0.392250 0.974370 0.703071 O\n0.440750 0.498756 0.101525 O\n0.440750 0.501244 0.601525 O\n0.559250 0.501244 0.898475 O\n0.606710 0.698516 0.133161 O\n0.392729 0.152694 0.594642 O\n0.607750 0.025630 0.296929 O\n0.696609 0.827446 0.702319 O\n0.940750 0.498756 0.898475 O\n0.118023 0.975003 0.873846 O\n0.106710 0.698516 0.866839 O\n0.272709 0.662744 0.549763 O\n0.851230 0.330857 0.290730 O\n0.696609 0.172554 0.202319 O\n0.059250 0.498756 0.601525 O\n0.824119 0.597584 0.180455 O\n0.107750 0.025630 0.703071 O\n0.381977 0.024997 0.873846 O\n0.892729 0.847306 0.905358 O\n0.227291 0.662744 0.049763 O\n0.351230 0.669143 0.209270 O\n0.675881 0.597584 0.680455 O\n0.438771 0.716355 0.671623 O\n0.561229 0.283645 0.328377 O\n0.618023 0.024997 0.626154 O\n0.892250 0.974370 0.296929 O\n",
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"nelements": 4,
"elements": [
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"Mo",
"O"
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"chemical_system": "K-Mn-Mo-O",
"density": 3.555404569490222,
"density_atomic": 0.06091040979026426,
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"formula_full": "K16 Mn16 Mo24 O96",
"formula_reduced": "K2Mn2(MoO4)3",
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"updated_at": "2021-11-28T01:36:35.016000Z",
"spacegroup": 54
},
{
"id": "mp-685315",
"created_at": "2022-09-04T14:44:50.055696Z",
"structure_string": "Ca8 As24 F120\n1.0\n10.317449 0.000300 -0.000012\n0.000301 10.684390 0.001783\n-0.000031 0.003671 22.111279\nCa As F\n8 24 120\ndirect\n0.249840 0.387518 0.434194 Ca\n0.249904 0.379846 0.934609 Ca\n0.249861 0.877965 0.311749 Ca\n0.250061 0.880440 0.814683 Ca\n0.749911 0.619266 0.064350 Ca\n0.749889 0.623237 0.564499 Ca\n0.750088 0.120234 0.185241 Ca\n0.749915 0.118985 0.683717 Ca\n0.006629 0.316613 0.578724 As\n0.006632 0.316732 0.079090 As\n0.005965 0.816468 0.170603 As\n0.007283 0.816322 0.671152 As\n0.249754 0.996982 0.504637 As\n0.269540 0.001688 0.998313 As\n0.269822 0.501429 0.250983 As\n0.269653 0.501970 0.751421 As\n0.492883 0.316122 0.079071 As\n0.493299 0.316366 0.578443 As\n0.493552 0.815928 0.170669 As\n0.492280 0.816016 0.670909 As\n0.505354 0.183083 0.329448 As\n0.506714 0.183302 0.829005 As\n0.506837 0.684995 0.420542 As\n0.506305 0.683413 0.920816 As\n0.749950 0.995538 0.504133 As\n0.769738 0.998146 0.001371 As\n0.769847 0.498289 0.248481 As\n0.769569 0.498114 0.748182 As\n0.994249 0.183402 0.329644 As\n0.993088 0.685288 0.420783 As\n0.992763 0.183839 0.828960 As\n0.993202 0.684024 0.920841 As\n0.087469 0.251086 0.272401 F\n0.087665 0.753181 0.478151 F\n0.085987 0.252002 0.771660 F\n0.085809 0.751969 0.978371 F\n0.097442 0.390987 0.634310 F\n0.095635 0.391784 0.135126 F\n0.095542 0.891690 0.114823 F\n0.098297 0.891699 0.614876 F\n0.100100 0.048176 0.326065 F\n0.098249 0.550669 0.424986 F\n0.097161 0.548975 0.925293 F\n0.097041 0.048896 0.824797 F\n0.101420 0.247589 0.386865 F\n0.101355 0.750781 0.364555 F\n0.098936 0.748687 0.864228 F\n0.098752 0.248471 0.885783 F\n0.103710 0.181785 0.583192 F\n0.101839 0.182292 0.084256 F\n0.101866 0.682432 0.165846 F\n0.103422 0.682566 0.665985 F\n0.110923 0.383649 0.521345 F\n0.108718 0.385075 0.022134 F\n0.108344 0.885480 0.227669 F\n0.109929 0.884981 0.727948 F\n0.250205 0.153068 0.481171 F\n0.249889 0.946617 0.429408 F\n0.242452 0.161804 0.977580 F\n0.240794 0.950381 0.921950 F\n0.240466 0.450513 0.327608 F\n0.242218 0.661359 0.272110 F\n0.240630 0.450398 0.827949 F\n0.242408 0.661730 0.772570 F\n0.390476 0.384118 0.022200 F\n0.388548 0.383753 0.521542 F\n0.390819 0.884463 0.227659 F\n0.389907 0.883958 0.728063 F\n0.394429 0.183842 0.085484 F\n0.395598 0.182161 0.583197 F\n0.394409 0.683976 0.164690 F\n0.393782 0.683541 0.664785 F\n0.399619 0.248299 0.885695 F\n0.397516 0.248205 0.386275 F\n0.398103 0.749887 0.364053 F\n0.399456 0.748357 0.864337 F\n0.400473 0.047169 0.326590 F\n0.402833 0.047617 0.825941 F\n0.401095 0.550281 0.424443 F\n0.402792 0.547598 0.924216 F\n0.405494 0.393336 0.135334 F\n0.403369 0.391242 0.634593 F\n0.405602 0.893276 0.114670 F\n0.401995 0.892996 0.614991 F\n0.410243 0.247662 0.271705 F\n0.411409 0.248203 0.771348 F\n0.411939 0.752827 0.477787 F\n0.411587 0.748112 0.978704 F\n0.437601 0.511009 0.261398 F\n0.437605 0.511093 0.761540 F\n0.437649 0.011123 0.988527 F\n0.564106 0.990479 0.509537 F\n0.585929 0.248065 0.021724 F\n0.587057 0.253064 0.520723 F\n0.585723 0.748033 0.228304 F\n0.585065 0.747954 0.728330 F\n0.593554 0.107748 0.385284 F\n0.595590 0.108198 0.885135 F\n0.593306 0.606784 0.364426 F\n0.595648 0.608190 0.864957 F\n0.597066 0.451041 0.074866 F\n0.595101 0.453085 0.575221 F\n0.597274 0.950958 0.175157 F\n0.595198 0.951004 0.675249 F\n0.598835 0.251410 0.135881 F\n0.597416 0.251477 0.635457 F\n0.599037 0.751194 0.114092 F\n0.597295 0.751909 0.614228 F\n0.600517 0.317697 0.334417 F\n0.601814 0.317759 0.834207 F\n0.603984 0.816580 0.413508 F\n0.601846 0.817643 0.915877 F\n0.607344 0.114711 0.272284 F\n0.608689 0.115002 0.772093 F\n0.606530 0.615485 0.477689 F\n0.608634 0.614862 0.977963 F\n0.749986 0.050610 0.582297 F\n0.740645 0.049700 0.077921 F\n0.742457 0.338195 0.227679 F\n0.740738 0.549758 0.172043 F\n0.742442 0.838182 0.022506 F\n0.742415 0.338033 0.727258 F\n0.750090 0.829915 0.523496 F\n0.740911 0.549819 0.671792 F\n0.892832 0.615378 0.477509 F\n0.892483 0.115722 0.272130 F\n0.890466 0.115961 0.772123 F\n0.890591 0.615859 0.977912 F\n0.896523 0.316541 0.335667 F\n0.895253 0.816202 0.413559 F\n0.894409 0.316164 0.835407 F\n0.894396 0.816136 0.914680 F\n0.899551 0.251679 0.135750 F\n0.902064 0.252310 0.635925 F\n0.899323 0.751429 0.114163 F\n0.901591 0.751326 0.614867 F\n0.902854 0.452418 0.075925 F\n0.904275 0.453465 0.575743 F\n0.902614 0.952261 0.174005 F\n0.905391 0.952043 0.674702 F\n0.906687 0.106448 0.385205 F\n0.907526 0.606622 0.364137 F\n0.905491 0.106612 0.885285 F\n0.905533 0.606675 0.864764 F\n0.911490 0.251922 0.021387 F\n0.912544 0.253422 0.521076 F\n0.911680 0.751871 0.228622 F\n0.912757 0.751433 0.729028 F\n0.936001 0.990430 0.509487 F\n0.937688 0.988861 0.011594 F\n0.937842 0.488864 0.238337 F\n0.937701 0.488765 0.738372 F\n",
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"elements": [
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"As",
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],
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"density": 2.9965587226748016,
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"formula_full": "Ca8 As24 F120",
"formula_reduced": "CaAs3F15",
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"updated_at": "2021-11-28T01:36:43.615000Z",
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},
{
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"elements": [
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},
{
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},
{
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{
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}