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{
"id": "mp-772276",
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"structure_string": "Cr4 P4 O20\n1.0\n5.180952 0.000000 0.000000\n-0.206457 8.384237 0.000000\n-2.309920 -2.032886 8.786273\nCr P O\n4 4 20\ndirect\n0.749713 0.227722 0.557023 Cr\n0.313390 0.267219 0.056338 Cr\n0.686610 0.732781 0.943662 Cr\n0.250287 0.772278 0.442977 Cr\n0.723890 0.079951 0.845549 P\n0.133403 0.515429 0.810201 P\n0.866597 0.484571 0.189799 P\n0.276110 0.920049 0.154451 P\n0.665478 0.102776 0.675496 O\n0.023447 0.119805 0.910643 O\n0.834505 0.119265 0.417007 O\n0.555067 0.190297 0.930024 O\n0.361829 0.102232 0.171429 O\n0.027171 0.370190 0.662465 O\n0.489594 0.313289 0.495123 O\n0.620223 0.398231 0.211241 O\n0.220587 0.436591 0.947347 O\n0.908187 0.626702 0.817075 O\n0.091813 0.373298 0.182925 O\n0.779413 0.563409 0.052653 O\n0.379777 0.601769 0.788759 O\n0.510406 0.686711 0.504877 O\n0.972829 0.629810 0.337535 O\n0.638171 0.897768 0.828571 O\n0.444933 0.809703 0.069976 O\n0.165495 0.880735 0.582993 O\n0.976553 0.880195 0.089357 O\n0.334522 0.897224 0.324504 O\n",
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{
"id": "mp-1518428",
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"structure_string": "K1 Pr1 Y1 Fe1 O6\n1.0\n0.000000 -4.052399 -4.052399\n4.052399 0.000000 -4.052399\n4.052399 -4.052399 0.000000\nK Pr Y Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Fe\n0.769364 0.230636 0.230636 O\n0.230636 0.769364 0.769364 O\n0.769364 0.230636 0.769364 O\n0.230636 0.769364 0.230636 O\n0.769364 0.769364 0.230636 O\n0.230636 0.230636 0.769364 O\n",
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"density": 5.249403190944112,
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"spacegroup": 216
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{
"id": "mp-1661518",
"created_at": "2022-09-04T14:40:37.637524Z",
"structure_string": "Li8 Ni6 Sb10 O32\n1.0\n-3.098746 5.367098 0.000010\n0.014945 0.008655 10.364435\n9.209847 5.317202 0.012389\nLi Ni Sb O\n8 6 10 32\ndirect\n0.499961 0.891541 0.165690 Li\n0.999983 0.901448 0.660375 Li\n0.500085 0.987260 0.502519 Li\n0.000148 0.981590 0.977052 Li\n0.499902 0.505289 0.502892 Li\n0.999952 0.503418 0.994873 Li\n0.000052 0.385177 0.320265 Li\n0.500121 0.388220 0.820162 Li\n0.000232 0.211269 0.824517 Ni\n0.246304 0.717194 0.419798 Ni\n0.753191 0.717004 0.419818 Ni\n0.500133 0.207222 0.330831 Ni\n0.747240 0.724148 0.921429 Ni\n0.252765 0.724092 0.921495 Ni\n0.499949 0.517307 0.180551 Sb\n0.999925 0.522029 0.679470 Sb\n0.999905 0.718550 0.173893 Sb\n0.499915 0.729050 0.672568 Sb\n0.999922 0.971484 0.347049 Sb\n0.500063 0.983190 0.842912 Sb\n0.746586 0.207710 0.078290 Sb\n0.246844 0.213259 0.585095 Sb\n0.253677 0.207724 0.078349 Sb\n0.753410 0.213241 0.585159 Sb\n0.500097 0.306094 0.995977 O\n0.000067 0.310494 0.502556 O\n0.500135 0.099007 0.154404 O\n0.000165 0.104177 0.661519 O\n0.000187 0.309578 0.993380 O\n0.500161 0.315789 0.507480 O\n0.999967 0.811358 0.009628 O\n0.499736 0.813818 0.507087 O\n0.000140 0.094802 0.125408 O\n0.500110 0.094699 0.671610 O\n0.499660 0.602723 0.347364 O\n0.999961 0.611674 0.844117 O\n0.999718 0.610340 0.329042 O\n0.499963 0.627566 0.830447 O\n0.999704 0.842046 0.486720 O\n0.499986 0.856996 0.982084 O\n0.766053 0.610107 0.088157 O\n0.268342 0.616423 0.594565 O\n0.233866 0.610083 0.088177 O\n0.731376 0.616406 0.594494 O\n0.742920 0.307037 0.233167 O\n0.240108 0.316823 0.737897 O\n0.257385 0.307080 0.233227 O\n0.760234 0.316757 0.738007 O\n0.222553 0.836377 0.256422 O\n0.716685 0.859920 0.756372 O\n0.777277 0.836448 0.256373 O\n0.283315 0.859963 0.756404 O\n0.278093 0.099480 0.439722 O\n0.751062 0.091863 0.916658 O\n0.722120 0.099447 0.439785 O\n0.249190 0.091884 0.916705 O\n",
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"formula_full": "Li8 Ni6 Sb10 O32",
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"spacegroup": 6
},
{
"id": "mp-757987",
"created_at": "2022-09-04T14:40:39.016902Z",
"structure_string": "Li3 Mn3 Ni1 O8\n1.0\n5.775096 0.000000 0.000000\n-0.026228 5.885113 0.000000\n-2.864229 -2.931018 4.290625\nLi Mn Ni O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.716603 0.741966 0.956909 O\n0.236132 0.741185 0.947682 O\n0.243712 0.276603 0.495274 O\n0.762953 0.290958 0.521491 O\n0.237047 0.709042 0.478509 O\n0.756288 0.723397 0.504726 O\n0.763868 0.258815 0.052318 O\n0.283397 0.258034 0.043091 O\n",
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"formula_full": "Li3 Mn3 Ni1 O8",
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{
"id": "mp-759548",
"created_at": "2022-09-04T14:40:38.392410Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n-9.757612 0.000000 0.000000\n4.842193 8.510720 0.000000\n-0.058333 -0.120691 -14.059008\nLi V P O\n10 6 16 58\ndirect\n0.094562 0.773195 0.561494 Li\n0.683233 0.914236 0.564373 Li\n0.668882 0.771043 0.055731 Li\n0.105168 0.337675 0.056749 Li\n0.768805 0.682027 0.439743 Li\n0.229154 0.325218 0.561804 Li\n0.912404 0.678352 0.936093 Li\n0.653336 0.317946 0.108568 Li\n0.322239 0.093750 0.439829 Li\n0.058796 0.042950 0.994325 Li\n0.565580 0.570679 0.249401 V\n0.433042 0.429043 0.753991 V\n0.002196 0.566484 0.748273 V\n0.000633 0.427853 0.252592 V\n0.427952 0.994323 0.246660 V\n0.568010 0.003202 0.755704 V\n0.220847 0.916101 0.841544 P\n0.084107 0.768169 0.338885 P\n0.681931 0.917310 0.345801 P\n0.327719 0.662461 0.128193 P\n0.338826 0.666540 0.630039 P\n0.682911 0.770822 0.839705 P\n0.766781 0.677672 0.656830 P\n0.085976 0.313613 0.844514 P\n0.908627 0.679736 0.154896 P\n0.233472 0.319755 0.343779 P\n0.312202 0.222289 0.160575 P\n0.666164 0.336765 0.370146 P\n0.670801 0.339518 0.872367 P\n0.318686 0.086026 0.657863 P\n0.913041 0.227769 0.661884 P\n0.778207 0.085586 0.161101 P\n0.244369 0.001297 0.566023 O\n0.249002 0.916118 0.339841 O\n0.987120 0.762557 0.065485 O\n0.081527 0.742919 0.832861 O\n0.378871 0.919123 0.833923 O\n0.320098 0.804024 0.172034 O\n0.522785 0.907330 0.319271 O\n0.789236 0.990640 0.080877 O\n0.654618 0.911895 0.837200 O\n0.188488 0.671513 0.667664 O\n0.096144 0.618379 0.318245 O\n0.488783 0.815165 0.669729 O\n0.317765 0.643750 0.022889 O\n0.337459 0.655046 0.523956 O\n0.483323 0.671898 0.167389 O\n0.088355 0.469380 0.832278 O\n0.180757 0.508304 0.172538 O\n0.665660 0.751299 0.336746 O\n0.789947 0.790014 0.748005 O\n0.752640 0.755404 0.568374 O\n0.767800 0.769570 0.928559 O\n0.524739 0.616240 0.826216 O\n0.335254 0.515556 0.674247 O\n0.737938 0.656096 0.159660 O\n0.381619 0.478775 0.323217 O\n0.085521 0.339553 0.335489 O\n0.994344 0.787038 0.248355 O\n0.995828 0.753317 0.429567 O\n0.010799 0.238571 0.578606 O\n0.917371 0.663261 0.655741 O\n0.619093 0.519068 0.677041 O\n0.256549 0.339454 0.828753 O\n0.671353 0.489551 0.330327 O\n0.474459 0.373166 0.168268 O\n0.207477 0.212966 0.080809 O\n0.243406 0.247720 0.435141 O\n0.216511 0.202784 0.258860 O\n0.340402 0.254176 0.659238 O\n0.814666 0.493881 0.836194 O\n0.897392 0.517560 0.169294 O\n0.518431 0.335737 0.826826 O\n0.661112 0.343851 0.978605 O\n0.679928 0.344115 0.475433 O\n0.516308 0.188263 0.331084 O\n0.903513 0.380385 0.679666 O\n0.816174 0.338424 0.320157 O\n0.342216 0.081271 0.162270 O\n0.202499 0.995333 0.743746 O\n0.193051 0.993893 0.923774 O\n0.477501 0.093784 0.677845 O\n0.674950 0.195532 0.830464 O\n0.627815 0.100877 0.167156 O\n0.923062 0.256990 0.160020 O\n0.023637 0.229996 0.936648 O\n0.987622 0.200249 0.758246 O\n0.745059 0.083810 0.661663 O\n0.745842 0.991834 0.439249 O\n0.799543 0.016936 0.260736 O\n",
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{
"id": "mp-505628",
"created_at": "2022-09-04T14:40:39.321859Z",
"structure_string": "Cr3 Ir1 N1\n1.0\n3.817087 0.000000 0.000000\n0.000000 3.817087 0.000000\n0.000000 0.000000 3.817087\nCr Ir N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
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"formula_full": "Cr3 Ir1 N1",
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{
"id": "mp-758860",
"created_at": "2022-09-04T14:40:38.437751Z",
"structure_string": "Li5 Fe8 B8 O24\n1.0\n-5.224423 0.000000 0.000000\n-0.044095 -9.074789 0.000000\n2.467057 4.396347 10.253885\nLi Fe B O\n5 8 8 24\ndirect\n0.027415 0.029547 0.395449 Li\n0.296622 0.279047 0.914507 Li\n0.267438 0.244837 0.163818 Li\n0.979673 0.002208 0.661376 Li\n0.759556 0.740807 0.151916 Li\n0.006421 0.358906 0.377236 Fe\n0.257927 0.929929 0.882364 Fe\n0.470751 0.162323 0.628654 Fe\n0.250435 0.567640 0.135658 Fe\n0.774774 0.443845 0.874137 Fe\n0.525128 0.843940 0.387160 Fe\n0.982163 0.647224 0.633806 Fe\n0.742687 0.056077 0.119421 Fe\n0.033427 0.688833 0.381047 B\n0.275122 0.594336 0.874734 B\n0.488982 0.819205 0.635293 B\n0.241855 0.899187 0.133689 B\n0.507590 0.182102 0.374677 B\n0.764424 0.114259 0.876575 B\n0.965017 0.309858 0.621360 B\n0.731862 0.395829 0.125035 B\n0.021835 0.104286 0.862051 O\n0.125644 0.692237 0.824944 O\n0.154273 0.488983 0.914697 O\n0.082277 0.169542 0.605940 O\n0.052062 0.417021 0.574117 O\n0.234247 0.830847 0.661590 O\n0.260470 0.660621 0.337003 O\n0.540074 0.600487 0.889463 O\n0.616054 0.232607 0.846734 O\n0.423657 0.075461 0.421016 O\n0.344054 0.291324 0.350871 O\n0.646398 0.019215 0.921022 O\n0.337553 0.009858 0.091495 O\n0.635494 0.696666 0.640293 O\n0.588329 0.936429 0.601890 O\n0.404580 0.790232 0.162365 O\n0.463493 0.376196 0.109046 O\n0.756644 0.345931 0.681322 O\n0.758295 0.174813 0.346842 O\n0.941878 0.584567 0.430787 O\n0.894494 0.815099 0.373101 O\n0.842843 0.504181 0.085903 O\n0.895856 0.303658 0.178429 O\n0.986723 0.899987 0.147127 O\n",
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{
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"structure_string": "Y2 Co5 Cu5\n1.0\n4.050925 0.000000 0.000000\n0.000000 4.991193 0.000000\n0.000000 0.000000 8.552184\nY Co Cu\n2 5 5\ndirect\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.345633 Co\n0.000000 0.000000 0.835800 Co\n0.000000 0.000000 0.164200 Co\n0.000000 0.500000 0.654367 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Cu\n0.500000 0.750257 0.251431 Cu\n0.500000 0.249743 0.748569 Cu\n0.500000 0.249743 0.251431 Cu\n0.500000 0.750257 0.748569 Cu\n",
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