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{
"id": "mp-29360",
"created_at": "2022-09-04T14:40:25.940847Z",
"structure_string": "Cr8 P16 O52\n1.0\n8.951776 0.000000 0.000000\n0.000000 8.258571 0.000000\n0.000000 3.627847 12.820365\nCr P O\n8 16 52\ndirect\n0.503828 0.438765 0.760532 Cr\n0.003828 0.561235 0.739468 Cr\n0.496172 0.561235 0.239468 Cr\n0.996172 0.438765 0.260532 Cr\n0.497363 0.041177 0.777465 Cr\n0.997363 0.958823 0.722535 Cr\n0.502637 0.958823 0.222535 Cr\n0.002637 0.041177 0.277465 Cr\n0.700332 0.785331 0.660687 P\n0.200332 0.214669 0.839313 P\n0.299668 0.214669 0.339313 P\n0.799668 0.785331 0.160687 P\n0.777336 0.286705 0.658094 P\n0.277336 0.713295 0.841906 P\n0.222664 0.713295 0.341906 P\n0.722664 0.286705 0.158094 P\n0.742985 0.864385 0.430839 P\n0.242985 0.135615 0.069161 P\n0.257015 0.135615 0.569161 P\n0.757015 0.864385 0.930839 P\n0.751856 0.498056 0.432894 P\n0.251856 0.501944 0.067106 P\n0.248144 0.501944 0.567106 P\n0.748144 0.498056 0.932894 P\n0.622655 0.886830 0.722888 O\n0.122655 0.113170 0.777112 O\n0.377345 0.113170 0.277112 O\n0.877345 0.886830 0.222888 O\n0.381484 0.601486 0.804021 O\n0.881484 0.398514 0.695979 O\n0.618516 0.398514 0.195979 O\n0.118516 0.601486 0.304021 O\n0.623361 0.979666 0.906186 O\n0.123361 0.020334 0.593814 O\n0.376639 0.020334 0.093814 O\n0.876639 0.979666 0.406186 O\n0.641222 0.608650 0.678605 O\n0.141222 0.391350 0.821395 O\n0.358778 0.391350 0.321395 O\n0.858778 0.608650 0.178605 O\n0.387240 0.105176 0.642312 O\n0.887240 0.894824 0.857688 O\n0.390111 0.469409 0.628471 O\n0.612760 0.894824 0.357688 O\n0.348194 0.874685 0.851274 O\n0.848194 0.125315 0.648726 O\n0.651806 0.125315 0.148726 O\n0.151806 0.874685 0.351274 O\n0.824053 0.879797 0.039177 O\n0.324053 0.120203 0.460823 O\n0.175947 0.120203 0.960823 O\n0.675947 0.879797 0.539177 O\n0.695707 0.672758 0.955531 O\n0.195707 0.327242 0.544469 O\n0.304293 0.327242 0.044469 O\n0.804293 0.672758 0.455531 O\n0.789953 0.381768 0.044997 O\n0.289953 0.618232 0.455003 O\n0.210047 0.618232 0.955003 O\n0.710047 0.381768 0.544997 O\n0.869414 0.252011 0.224990 O\n0.369414 0.747989 0.275010 O\n0.130586 0.747989 0.775010 O\n0.630586 0.252011 0.724990 O\n0.124790 0.222663 0.323487 O\n0.624790 0.777337 0.176513 O\n0.875210 0.777337 0.676513 O\n0.375210 0.222663 0.823487 O\n0.881941 0.418155 0.392923 O\n0.381941 0.581845 0.107077 O\n0.118059 0.581845 0.607077 O\n0.618059 0.418155 0.892923 O\n0.109889 0.469409 0.128471 O\n0.609889 0.530591 0.371529 O\n0.890111 0.530591 0.871529 O\n0.112760 0.105176 0.142312 O\n",
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"volume": 947.7951957966212,
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"formula_full": "Cr8 P16 O52",
"formula_reduced": "Cr2P4O13",
"formula_anonymous": "A2B4C13",
"energy": -618.8784033900001,
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"updated_at": "2021-11-28T01:35:01.900000Z",
"spacegroup": 14
},
{
"id": "mp-757747",
"created_at": "2022-09-04T14:42:20.709684Z",
"structure_string": "Li4 Sn16 P12 O48\n1.0\n7.316199 0.000000 0.000000\n0.000000 10.694171 0.000000\n0.000000 0.000000 15.900116\nLi Sn P O\n4 16 12 48\ndirect\n0.016328 0.735472 0.250000 Li\n0.483672 0.235472 0.750000 Li\n0.516328 0.764528 0.250000 Li\n0.983672 0.264528 0.750000 Li\n0.138001 0.431893 0.599548 Sn\n0.138001 0.431893 0.900452 Sn\n0.161138 0.845579 0.605460 Sn\n0.161138 0.845579 0.894540 Sn\n0.338862 0.345579 0.105460 Sn\n0.338862 0.345579 0.394540 Sn\n0.361999 0.931893 0.099548 Sn\n0.361999 0.931893 0.400452 Sn\n0.638001 0.068107 0.599548 Sn\n0.638001 0.068107 0.900452 Sn\n0.661138 0.654421 0.605460 Sn\n0.661138 0.654421 0.894540 Sn\n0.838862 0.154421 0.105460 Sn\n0.838862 0.154421 0.394540 Sn\n0.861999 0.568107 0.400452 Sn\n0.861999 0.568107 0.099548 Sn\n0.026475 0.402581 0.250000 P\n0.145177 0.137209 0.588704 P\n0.145177 0.137209 0.911296 P\n0.354823 0.637209 0.088704 P\n0.354823 0.637209 0.411296 P\n0.473525 0.902581 0.750000 P\n0.526475 0.097419 0.250000 P\n0.645177 0.362791 0.588704 P\n0.645177 0.362791 0.911296 P\n0.854823 0.862791 0.411296 P\n0.854823 0.862791 0.088704 P\n0.973525 0.597419 0.750000 P\n0.994826 0.964086 0.117520 O\n0.994826 0.964086 0.382480 O\n0.040651 0.456508 0.750000 O\n0.047817 0.656887 0.667565 O\n0.047817 0.656887 0.832435 O\n0.087633 0.205432 0.992969 O\n0.087633 0.205432 0.507031 O\n0.168266 0.567665 0.078371 O\n0.168266 0.567665 0.421629 O\n0.161862 0.240328 0.659280 O\n0.161862 0.240328 0.840720 O\n0.239113 0.392272 0.250000 O\n0.260887 0.892272 0.750000 O\n0.338138 0.740328 0.340720 O\n0.338138 0.740328 0.159280 O\n0.331734 0.067665 0.578371 O\n0.331734 0.067665 0.921629 O\n0.412367 0.705432 0.492969 O\n0.412367 0.705432 0.007031 O\n0.452183 0.156887 0.167565 O\n0.452183 0.156887 0.332435 O\n0.459349 0.956508 0.250000 O\n0.505174 0.464086 0.617520 O\n0.505174 0.464086 0.882480 O\n0.494826 0.535914 0.117520 O\n0.494826 0.535914 0.382480 O\n0.540651 0.043492 0.750000 O\n0.547817 0.843113 0.667565 O\n0.547817 0.843113 0.832435 O\n0.587633 0.294568 0.992969 O\n0.587633 0.294568 0.507031 O\n0.668266 0.932335 0.078371 O\n0.668266 0.932335 0.421629 O\n0.661862 0.259672 0.659280 O\n0.661862 0.259672 0.840720 O\n0.739113 0.107728 0.250000 O\n0.760887 0.607728 0.750000 O\n0.838138 0.759672 0.159280 O\n0.838138 0.759672 0.340720 O\n0.831734 0.432335 0.578371 O\n0.831734 0.432335 0.921629 O\n0.912367 0.794568 0.492969 O\n0.912367 0.794568 0.007031 O\n0.952183 0.343113 0.167565 O\n0.952183 0.343113 0.332435 O\n0.959349 0.543492 0.250000 O\n0.005174 0.035914 0.617520 O\n0.005174 0.035914 0.882480 O\n",
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"elements": [
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],
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"density": 4.09353814679061,
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"volume": 1244.0359384181097,
"volume_molar": 9.364699414565687,
"formula_full": "Li4 Sn16 P12 O48",
"formula_reduced": "LiSn4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -556.38887378,
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{
"id": "mp-557763",
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"structure_string": "Nd12 Nb4 O28\n1.0\n7.683470 0.000000 0.000000\n0.000000 7.774078 0.000000\n0.000000 0.000000 10.988737\nNd Nb O\n12 4 28\ndirect\n0.486886 0.295446 0.250000 Nd\n0.749388 0.542232 0.476254 Nd\n0.250612 0.457768 0.523746 Nd\n0.986886 0.204554 0.250000 Nd\n0.750612 0.042232 0.976254 Nd\n0.750612 0.042232 0.523746 Nd\n0.513114 0.704554 0.750000 Nd\n0.250612 0.457768 0.976254 Nd\n0.013114 0.795446 0.750000 Nd\n0.249388 0.957768 0.023746 Nd\n0.749388 0.542232 0.023746 Nd\n0.249388 0.957768 0.476254 Nd\n0.495086 0.753698 0.250000 Nb\n0.995086 0.746302 0.250000 Nb\n0.004914 0.253698 0.750000 Nb\n0.504914 0.246302 0.750000 Nb\n0.035515 0.049992 0.626810 O\n0.964485 0.950008 0.126810 O\n0.752666 0.670969 0.250000 O\n0.535515 0.450008 0.626810 O\n0.964485 0.950008 0.373190 O\n0.256130 0.729398 0.617074 O\n0.252666 0.829031 0.250000 O\n0.464485 0.549992 0.373190 O\n0.243870 0.229398 0.382926 O\n0.457618 0.093479 0.613482 O\n0.743870 0.270602 0.117074 O\n0.457618 0.093479 0.886518 O\n0.743870 0.270602 0.382926 O\n0.957618 0.406521 0.886518 O\n0.247334 0.329031 0.750000 O\n0.542382 0.906521 0.386518 O\n0.042382 0.593479 0.113482 O\n0.957618 0.406521 0.613482 O\n0.243870 0.229398 0.117074 O\n0.542382 0.906521 0.113482 O\n0.747334 0.170969 0.750000 O\n0.464485 0.549992 0.126810 O\n0.756130 0.770602 0.882926 O\n0.256130 0.729398 0.882926 O\n0.535515 0.450008 0.873190 O\n0.042382 0.593479 0.386518 O\n0.756130 0.770602 0.617074 O\n0.035515 0.049992 0.873190 O\n",
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{
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"structure_string": "Na2 Zn4 Cd2 F14\n1.0\n-3.680310 3.734696 5.261147\n3.680310 -3.734696 5.261147\n3.680310 3.734696 -5.261147\nNa Zn Cd F\n2 4 2 14\ndirect\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.332550 0.591980 0.170109 F\n0.921871 0.162441 0.329891 F\n0.327772 0.577772 0.750000 F\n0.913196 0.163196 0.750000 F\n0.332550 0.162441 0.740570 F\n0.921871 0.591980 0.759430 F\n0.667450 0.408020 0.829891 F\n0.078129 0.837559 0.670109 F\n0.672228 0.422228 0.250000 F\n0.086804 0.836804 0.250000 F\n0.667450 0.837559 0.259430 F\n0.078129 0.408020 0.240570 F\n0.633392 0.883392 0.750000 F\n0.366608 0.116608 0.250000 F\n",
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{
"id": "mp-1102490",
"created_at": "2022-09-04T14:42:54.134974Z",
"structure_string": "Li3 Ni2 Sb1 O6\n1.0\n0.021221 0.000000 -5.231392\n-2.467245 -4.524627 0.895556\n-2.467245 4.524627 0.895556\nLi Ni Sb O\n3 2 1 6\ndirect\n0.500000 0.828656 0.171344 Li\n0.500000 0.171344 0.828656 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.666572 0.333428 Ni\n0.000000 0.333428 0.666572 Ni\n0.000000 0.000000 0.000000 Sb\n0.229010 0.759036 0.759036 O\n0.770990 0.240964 0.240964 O\n0.232787 0.078968 0.398696 O\n0.232787 0.398696 0.078968 O\n0.767213 0.921032 0.601304 O\n0.767213 0.601304 0.921032 O\n",
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"formula_full": "Li3 Ni2 Sb1 O6",
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{
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"structure_string": "Li6 Co6 O2 F14\n1.0\n3.039027 5.254307 0.000000\n-3.039027 5.254307 0.000000\n0.000000 3.511807 9.894191\nLi Co O F\n6 6 2 14\ndirect\n0.994415 0.509517 0.000581 Li\n0.944910 0.934474 0.688350 Li\n0.934474 0.944910 0.188350 Li\n0.387194 0.859245 0.871715 Li\n0.859245 0.387194 0.371715 Li\n0.509517 0.994415 0.500581 Li\n0.925239 0.439418 0.694421 Co\n0.692691 0.197734 0.931741 Co\n0.450065 0.440060 0.693565 Co\n0.439418 0.925239 0.194421 Co\n0.197734 0.692691 0.431741 Co\n0.440060 0.450065 0.193565 Co\n0.583305 0.532110 0.809206 O\n0.532110 0.583305 0.309206 O\n0.845894 0.796030 0.562245 F\n0.820256 0.297815 0.571037 F\n0.583814 0.061764 0.807233 F\n0.801083 0.305346 0.066768 F\n0.069840 0.566696 0.802390 F\n0.305346 0.801083 0.566768 F\n0.566696 0.069840 0.302390 F\n0.302535 0.329223 0.574247 F\n0.329223 0.302535 0.074247 F\n0.796030 0.845894 0.062245 F\n0.060025 0.057226 0.305804 F\n0.057226 0.060025 0.805804 F\n0.297815 0.820256 0.071037 F\n0.061764 0.583814 0.307233 F\n",
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{
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"structure_string": "Gd2 As2 O8\n1.0\n-2.549537 2.549537 5.754664\n2.549537 -2.549537 5.754664\n2.549537 2.549537 -5.754664\nGd As O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Gd\n0.250000 0.750000 0.500000 Gd\n0.000000 0.000000 0.000000 As\n0.750000 0.250000 0.500000 As\n0.671535 0.068133 0.896034 O\n0.577901 0.474499 0.396034 O\n0.224499 0.328465 0.396598 O\n0.818133 0.422099 0.896598 O\n0.931867 0.827901 0.603402 O\n0.525501 0.921535 0.103402 O\n0.078465 0.181867 0.603966 O\n0.172099 0.775501 0.103966 O\n",
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{
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