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{
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{
"id": "mp-623092",
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"structure_string": "Gd16 Au8 O36\n1.0\n6.021022 0.000000 0.000000\n0.000000 11.896974 0.000000\n0.000000 0.000000 11.912018\nGd Au O\n16 8 36\ndirect\n0.240510 0.410170 0.510711 Gd\n0.740510 0.089830 0.010711 Gd\n0.259490 0.589830 0.010711 Gd\n0.759490 0.910170 0.510711 Gd\n0.303237 0.264088 0.159334 Gd\n0.740510 0.410170 0.989289 Gd\n0.696763 0.764088 0.159334 Gd\n0.696763 0.735912 0.840666 Gd\n0.759490 0.589830 0.489289 Gd\n0.303237 0.235912 0.840666 Gd\n0.259490 0.910170 0.989289 Gd\n0.196763 0.764088 0.340666 Gd\n0.196763 0.735912 0.659334 Gd\n0.803237 0.264088 0.340666 Gd\n0.240510 0.089830 0.489289 Gd\n0.803237 0.235912 0.659334 Gd\n0.078382 0.488910 0.771074 Au\n0.921618 0.988910 0.771074 Au\n0.421618 0.988910 0.728926 Au\n0.578382 0.488910 0.728926 Au\n0.921618 0.511090 0.228926 Au\n0.078382 0.011090 0.228926 Au\n0.421618 0.511090 0.271074 Au\n0.578382 0.011090 0.271074 Au\n0.940422 0.350813 0.162875 O\n0.124633 0.160887 0.303690 O\n0.439702 0.054894 0.886855 O\n0.939702 0.054894 0.613145 O\n0.624633 0.160887 0.196310 O\n0.060298 0.554894 0.613145 O\n0.110880 0.088875 0.075950 O\n0.610880 0.088875 0.424050 O\n0.940422 0.149187 0.837125 O\n0.375367 0.839113 0.803690 O\n0.889120 0.588875 0.075950 O\n0.875367 0.660887 0.303690 O\n0.610880 0.411125 0.575950 O\n0.389120 0.588875 0.424050 O\n0.559578 0.850813 0.337125 O\n0.440422 0.149187 0.662875 O\n0.476519 0.750000 0.000000 O\n0.560298 0.945106 0.113145 O\n0.889120 0.911125 0.924050 O\n0.976519 0.750000 0.500000 O\n0.439702 0.445106 0.113145 O\n0.440422 0.350813 0.337125 O\n0.124633 0.339113 0.696310 O\n0.023481 0.250000 0.500000 O\n0.059578 0.649187 0.837125 O\n0.375367 0.660887 0.196310 O\n0.875367 0.839113 0.696310 O\n0.110880 0.411125 0.924050 O\n0.059578 0.850813 0.162875 O\n0.560298 0.554894 0.886855 O\n0.624633 0.339113 0.803690 O\n0.939702 0.445106 0.386855 O\n0.559578 0.649187 0.662875 O\n0.523481 0.250000 0.000000 O\n0.389120 0.911125 0.575950 O\n0.060298 0.945106 0.386855 O\n",
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"formula_full": "Gd16 Au8 O36",
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"updated_at": "2021-11-28T01:35:51.811000Z",
"spacegroup": 60
},
{
"id": "mp-1233984",
"created_at": "2022-09-04T14:42:05.261925Z",
"structure_string": "Ca1 Tb4 P4 O16\n1.0\n0.234477 -0.876794 6.467548\n6.479520 -0.412923 -1.393444\n-0.719552 8.381222 -0.997225\nCa Tb P O\n1 4 4 16\ndirect\n0.992758 0.478511 0.546687 Ca\n0.389422 0.161218 0.614095 Tb\n0.800330 0.665827 0.903272 Tb\n0.678563 0.853719 0.316874 Tb\n0.079955 0.245062 0.165545 Tb\n0.896828 0.136483 0.725902 P\n0.355961 0.737286 0.854824 P\n0.154171 0.798753 0.301388 P\n0.628027 0.342024 0.180367 P\n0.168741 0.276681 0.434287 O\n0.518275 0.764783 0.029459 O\n0.061829 0.800422 0.453226 O\n0.389870 0.267501 0.091832 O\n0.897433 0.046244 0.891946 O\n0.436199 0.571010 0.747506 O\n0.976922 0.868473 0.166637 O\n0.668556 0.514013 0.333980 O\n0.721305 0.963124 0.587517 O\n0.116631 0.648620 0.844213 O\n0.367197 0.964714 0.349016 O\n0.766948 0.421864 0.065628 O\n0.754180 0.328364 0.716833 O\n0.370857 0.940042 0.787004 O\n0.201761 0.594778 0.234375 O\n0.742699 0.170485 0.250179 O\n",
"nsites": 25,
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"formula_full": "Ca1 Tb4 P4 O16",
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},
{
"id": "mp-1233698",
"created_at": "2022-09-04T14:39:45.710378Z",
"structure_string": "Tb4 Mg1 P4 O16\n1.0\n-0.446854 0.303654 6.344829\n8.012613 -0.018496 -2.061803\n0.073487 6.625421 0.331615\nTb Mg P O\n4 1 4 16\ndirect\n0.377033 0.134153 0.724095 Tb\n0.971199 0.745942 0.944397 Tb\n0.588897 0.891748 0.292072 Tb\n0.008007 0.285375 0.017376 Tb\n0.277500 0.495828 0.455763 Mg\n0.934295 0.212318 0.582701 P\n0.426386 0.711707 0.820538 P\n0.084280 0.790626 0.417503 P\n0.563840 0.321855 0.171330 P\n0.003802 0.323775 0.374320 O\n0.605994 0.729646 0.967602 O\n0.974017 0.694469 0.613085 O\n0.386620 0.309071 0.020686 O\n0.047144 0.033375 0.920117 O\n0.495127 0.688402 0.594542 O\n0.911350 0.813863 0.281207 O\n0.469480 0.344310 0.390295 O\n0.756328 0.040026 0.529814 O\n0.210680 0.561208 0.883182 O\n0.267144 0.963482 0.452054 O\n0.780042 0.466296 0.101599 O\n0.781920 0.282675 0.741642 O\n0.357505 0.875928 0.851564 O\n0.227175 0.691465 0.291024 O\n0.629655 0.152458 0.154084 O\n",
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"formula_full": "Tb4 Mg1 P4 O16",
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"energy": -202.62127264,
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"updated_at": "2021-11-28T01:34:42.114000Z",
"spacegroup": 1
},
{
"id": "mp-19407",
"created_at": "2022-09-04T14:39:24.186595Z",
"structure_string": "Mn2 W2 O8\n1.0\n4.885330 -0.024395 0.000000\n-0.120351 5.116692 0.000000\n0.000000 0.000000 5.853408\nMn W O\n2 2 8\ndirect\n0.500000 0.250000 0.673582 Mn\n0.500000 0.750000 0.326422 Mn\n0.000000 0.250000 0.172030 W\n0.000000 0.750000 0.827969 W\n0.746672 0.106968 0.371062 O\n0.253328 0.393032 0.371062 O\n0.253328 0.893032 0.628937 O\n0.746672 0.606968 0.628937 O\n0.790125 0.061366 0.895162 O\n0.209875 0.438634 0.895162 O\n0.209875 0.938634 0.104837 O\n0.790125 0.561366 0.104837 O\n",
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"formula_full": "Mn2 W2 O8",
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},
{
"id": "mp-1049236",
"created_at": "2022-09-04T14:40:19.869180Z",
"structure_string": "Ba6 Y3 Mn6 F33\n1.0\n4.011494 -6.948111 0.000000\n4.011494 6.948111 0.000000\n0.000000 0.000000 13.666519\nBa Y Mn F\n6 3 6 33\ndirect\n0.883388 0.842887 0.663333 Ba\n0.502672 0.185842 0.814502 Ba\n0.959499 0.116612 0.996667 Ba\n0.814158 0.316830 0.481169 Ba\n0.683170 0.497328 0.147836 Ba\n0.157113 0.040501 0.330000 Ba\n0.459196 0.674397 0.892465 Y\n0.215201 0.540804 0.225799 Y\n0.325603 0.784799 0.559132 Y\n0.946930 0.659316 0.891180 Mn\n0.092440 0.396736 0.724702 Mn\n0.603264 0.695704 0.391369 Mn\n0.712386 0.053070 0.224513 Mn\n0.304296 0.907560 0.058036 Mn\n0.340684 0.287614 0.557847 Mn\n0.007033 0.762756 0.036386 F\n0.818554 0.373712 0.930477 F\n0.755723 0.992967 0.369719 F\n0.427962 0.072244 0.486140 F\n0.918492 0.984513 0.179891 F\n0.299474 0.327576 0.191472 F\n0.927756 0.355718 0.152807 F\n0.672424 0.971898 0.858139 F\n0.066021 0.081508 0.513224 F\n0.598389 0.012624 0.079181 F\n0.644282 0.572038 0.819474 F\n0.237244 0.244277 0.703053 F\n0.661398 0.696409 0.001863 F\n0.359027 0.173585 0.001825 F\n0.035011 0.338602 0.335197 F\n0.626288 0.444842 0.597143 F\n0.285731 0.821846 0.901721 F\n0.414234 0.401611 0.412514 F\n0.324328 0.707891 0.390725 F\n0.303591 0.964989 0.668530 F\n0.383563 0.675672 0.724059 F\n0.826415 0.185443 0.668491 F\n0.814557 0.640973 0.335158 F\n0.536115 0.714269 0.235054 F\n0.987376 0.585766 0.745848 F\n0.015487 0.933979 0.846558 F\n0.555158 0.181446 0.263810 F\n0.192352 0.396901 0.872104 F\n0.204549 0.807648 0.205438 F\n0.292109 0.616437 0.057392 F\n0.028102 0.700526 0.524806 F\n0.178154 0.463885 0.568388 F\n0.603099 0.795451 0.538771 F\n",
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"formula_full": "Ba6 Y3 Mn6 F33",
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{
"id": "mp-1233857",
"created_at": "2022-09-04T14:39:10.419046Z",
"structure_string": "Mg1 Ag14 Pb6 O18\n1.0\n-3.120316 5.302003 6.456388\n3.199218 5.342992 -6.451850\n-6.058427 -0.050308 -6.336214\nMg Ag Pb O\n1 14 6 18\ndirect\n0.475171 0.961311 0.567180 Mg\n0.842960 0.160584 0.680057 Ag\n0.170168 0.322520 0.841748 Ag\n0.700891 0.828356 0.872592 Ag\n0.328774 0.161029 0.167195 Ag\n0.104132 0.920674 0.940566 Ag\n0.255842 0.718035 0.786609 Ag\n0.419466 0.585895 0.591357 Ag\n0.593985 0.407198 0.416816 Ag\n0.750543 0.233021 0.262546 Ag\n0.909086 0.060900 0.090153 Ag\n0.003122 0.488133 0.516397 Ag\n0.832082 0.642992 0.194219 Ag\n0.157780 0.820056 0.345462 Ag\n0.497902 0.491412 0.007334 Ag\n0.503181 0.162525 0.835208 Pb\n0.834138 0.490406 0.846623 Pb\n0.172722 0.160219 0.504109 Pb\n0.842368 0.827583 0.524037 Pb\n0.166553 0.486898 0.180955 Pb\n0.503797 0.827124 0.195797 Pb\n0.774080 0.219632 0.864193 O\n0.562621 0.431662 0.817959 O\n0.902769 0.098686 0.492113 O\n0.233732 0.140538 0.776054 O\n0.877821 0.761644 0.797855 O\n0.481562 0.910215 0.806525 O\n0.103313 0.502429 0.906382 O\n0.441112 0.176342 0.547093 O\n0.816060 0.555363 0.572995 O\n0.518007 0.109795 0.103857 O\n0.191056 0.425915 0.456060 O\n0.895842 0.463991 0.122462 O\n0.564256 0.833896 0.477119 O\n0.140409 0.217158 0.231904 O\n0.788391 0.837544 0.257222 O\n0.430994 0.541413 0.198503 O\n0.121643 0.892710 0.538419 O\n0.215380 0.750489 0.163740 O\n",
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{
"id": "mp-555436",
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"structure_string": "S20 N8 O32 F16\n1.0\n6.896808 0.000000 0.000000\n0.000000 13.120155 0.000000\n0.000000 0.343095 13.995591\nS N O F\n20 8 32 16\ndirect\n0.865651 0.640234 0.275995 S\n0.719987 0.359701 0.509335 S\n0.682842 0.862995 0.795376 S\n0.280013 0.640299 0.490665 S\n0.780013 0.359701 0.009335 S\n0.634349 0.640234 0.775995 S\n0.182842 0.137005 0.704624 S\n0.736668 0.136361 0.993994 S\n0.219987 0.640299 0.990665 S\n0.236668 0.863639 0.506006 S\n0.365651 0.359766 0.224005 S\n0.263332 0.863639 0.006006 S\n0.290439 0.770203 0.815688 S\n0.209561 0.770203 0.315688 S\n0.790439 0.229797 0.684312 S\n0.709561 0.229797 0.184312 S\n0.134349 0.359766 0.724005 S\n0.763332 0.136361 0.493994 S\n0.317158 0.137005 0.204624 S\n0.817158 0.862995 0.295376 S\n0.758099 0.241389 0.564643 N\n0.258099 0.758611 0.935357 N\n0.468608 0.242075 0.203584 N\n0.741901 0.241389 0.064643 N\n0.031392 0.242075 0.703584 N\n0.531392 0.757925 0.796416 N\n0.968608 0.757925 0.296416 N\n0.241901 0.758611 0.435357 N\n0.329781 0.838541 0.594128 O\n0.852889 0.839695 0.849240 O\n0.834511 0.367641 0.425185 O\n0.184005 0.343389 0.269556 O\n0.647111 0.839695 0.349240 O\n0.779914 0.048871 0.051396 O\n0.829781 0.161459 0.905872 O\n0.815995 0.656611 0.730444 O\n0.352889 0.160305 0.650760 O\n0.720086 0.048871 0.551396 O\n0.315995 0.343389 0.769556 O\n0.334511 0.632359 0.074815 O\n0.684005 0.656611 0.230444 O\n0.434924 0.050063 0.189679 O\n0.783405 0.432536 0.082612 O\n0.670219 0.161459 0.405872 O\n0.486101 0.574962 0.743441 O\n0.013899 0.574962 0.243441 O\n0.934924 0.949937 0.310321 O\n0.165489 0.632359 0.574815 O\n0.170219 0.838541 0.094128 O\n0.716595 0.432536 0.582612 O\n0.279914 0.951129 0.448604 O\n0.065076 0.050063 0.689679 O\n0.665489 0.367641 0.925185 O\n0.147111 0.160305 0.150760 O\n0.986101 0.425038 0.756559 O\n0.216595 0.567464 0.917388 O\n0.283405 0.567464 0.417388 O\n0.220086 0.951129 0.948604 O\n0.565076 0.949937 0.810321 O\n0.513899 0.425038 0.256559 O\n0.501632 0.343430 0.476936 F\n0.757665 0.864877 0.186634 F\n0.510006 0.134199 0.973036 F\n0.821553 0.607803 0.384252 F\n0.257665 0.135123 0.313366 F\n0.989994 0.134199 0.473036 F\n0.242335 0.135123 0.813366 F\n0.742335 0.864877 0.686634 F\n0.678447 0.607803 0.884252 F\n0.178447 0.392197 0.615748 F\n0.321553 0.392197 0.115748 F\n0.998368 0.343430 0.976936 F\n0.001632 0.656570 0.023064 F\n0.489994 0.865801 0.026964 F\n0.010006 0.865801 0.526964 F\n0.498368 0.656570 0.523064 F\n",
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