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{
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"results": [
{
"id": "mp-1175929",
"created_at": "2022-09-04T14:40:08.894927Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.874860 0.000000 0.000000\n-0.331645 5.899664 0.000000\n-0.095660 -0.108681 8.139879\nLi Mn Co O\n9 2 5 16\ndirect\n0.503592 0.995289 0.996672 Li\n0.253250 0.751347 0.743507 Li\n0.748032 0.749263 0.254896 Li\n0.503912 0.504593 0.993976 Li\n0.993338 0.506621 0.504001 Li\n0.746612 0.248944 0.256691 Li\n0.251005 0.249453 0.743625 Li\n0.994625 0.994047 0.506027 Li\n0.750112 0.748672 0.744580 Li\n0.995452 0.002328 0.998674 Mn\n0.995319 0.505876 0.999371 Mn\n0.505206 0.496873 0.500225 Co\n0.251008 0.252591 0.252602 Co\n0.746879 0.250289 0.749548 Co\n0.507844 0.991293 0.502583 Co\n0.251912 0.750051 0.251219 Co\n0.222083 0.264644 0.012066 O\n0.975400 0.025402 0.762494 O\n0.485919 0.986726 0.256316 O\n0.246117 0.734445 0.005263 O\n0.728887 0.737784 0.499703 O\n0.485077 0.488692 0.262090 O\n0.989804 0.483681 0.763492 O\n0.744489 0.229702 0.514964 O\n0.779821 0.739690 0.001095 O\n0.527772 0.471505 0.734498 O\n0.010929 0.515314 0.239394 O\n0.750169 0.271611 0.989799 O\n0.269484 0.257238 0.487563 O\n0.013615 0.015114 0.240289 O\n0.513067 0.016977 0.741992 O\n0.259272 0.763948 0.490782 O\n",
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"elements": [
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
},
{
"id": "mp-1225137",
"created_at": "2022-09-04T14:40:04.025410Z",
"structure_string": "Eu1 Mg1 Ga3\n1.0\n4.344551 0.000000 0.000000\n0.000000 4.344551 0.000000\n2.172275 2.172275 5.705095\nEu Mg Ga\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Mg\n0.390371 0.390371 0.219257 Ga\n0.609629 0.609629 0.780743 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
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],
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"density": 5.943618784740399,
"density_atomic": 0.046431992898801136,
"volume": 107.68437208580592,
"volume_molar": 12.96980892705876,
"formula_full": "Eu1 Mg1 Ga3",
"formula_reduced": "EuMgGa3",
"formula_anonymous": "ABC3",
"energy": -23.09933687,
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"updated_at": "2021-11-28T01:34:46.761000Z",
"spacegroup": 119
},
{
"id": "mp-510315",
"created_at": "2022-09-04T14:40:03.876116Z",
"structure_string": "Ce2 Ge4 Ir4\n1.0\n4.263104 0.000000 0.000000\n0.000000 4.263104 0.000000\n0.000000 0.000000 10.215604\nCe Ge Ir\n2 4 4\ndirect\n0.500000 0.000000 0.256514 Ce\n0.000000 0.500000 0.743486 Ce\n0.500000 0.000000 0.868387 Ge\n0.000000 0.500000 0.131613 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.371543 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.628457 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Ir"
],
"chemical_system": "Ce-Ge-Ir",
"density": 11.981957729461849,
"density_atomic": 0.0538622008958431,
"volume": 185.65895625649722,
"volume_molar": 11.180643679313091,
"formula_full": "Ce2 Ge4 Ir4",
"formula_reduced": "Ce(GeIr)2",
"formula_anonymous": "AB2C2",
"energy": -73.57519538,
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"updated_at": "2021-11-28T01:34:46.105000Z",
"spacegroup": 129
},
{
"id": "mp-555385",
"created_at": "2022-09-04T14:40:12.729659Z",
"structure_string": "Ca8 Mn8 B16 O40\n1.0\n11.552311 0.000000 0.000000\n0.000000 5.736486 0.000000\n0.000000 2.727570 12.236230\nCa Mn B O\n8 8 16 40\ndirect\n0.880812 0.873704 0.091554 Ca\n0.619188 0.373704 0.091554 Ca\n0.380812 0.626296 0.908446 Ca\n0.119188 0.126296 0.908446 Ca\n0.872034 0.853536 0.586874 Ca\n0.627966 0.353536 0.586874 Ca\n0.127966 0.146464 0.413126 Ca\n0.372034 0.646464 0.413126 Ca\n0.128163 0.755027 0.235986 Mn\n0.627786 0.749563 0.262204 Mn\n0.371837 0.255027 0.235986 Mn\n0.871837 0.244973 0.764014 Mn\n0.372214 0.250437 0.737796 Mn\n0.628163 0.744973 0.764014 Mn\n0.872214 0.249563 0.262204 Mn\n0.127786 0.750437 0.737796 Mn\n0.875019 0.370176 0.990839 B\n0.880816 0.352218 0.488671 B\n0.119184 0.647782 0.511329 B\n0.875689 0.699996 0.327323 B\n0.380816 0.147782 0.511329 B\n0.624981 0.870176 0.990839 B\n0.115582 0.293352 0.172052 B\n0.624311 0.199996 0.327323 B\n0.384418 0.793352 0.172052 B\n0.615582 0.206648 0.827948 B\n0.619184 0.852218 0.488671 B\n0.124981 0.629824 0.009161 B\n0.375689 0.800004 0.672677 B\n0.884418 0.706648 0.827948 B\n0.375019 0.129824 0.009161 B\n0.124311 0.300004 0.672677 B\n0.086663 0.800468 0.062194 O\n0.946271 0.605407 0.259277 O\n0.665776 0.777004 0.590820 O\n0.053729 0.394593 0.740723 O\n0.676817 0.808408 0.091005 O\n0.309601 0.896021 0.233807 O\n0.112309 0.380767 0.057186 O\n0.165776 0.722996 0.409180 O\n0.446271 0.894593 0.740723 O\n0.194972 0.111137 0.714761 O\n0.176817 0.691592 0.908995 O\n0.809601 0.603979 0.766193 O\n0.074161 0.808149 0.566181 O\n0.425839 0.308149 0.566181 O\n0.823183 0.308408 0.091005 O\n0.305028 0.611137 0.714761 O\n0.834224 0.277004 0.590820 O\n0.887691 0.619233 0.942814 O\n0.045773 0.107193 0.221703 O\n0.694972 0.388863 0.285239 O\n0.690399 0.103979 0.766193 O\n0.190399 0.396021 0.233807 O\n0.574161 0.691851 0.433819 O\n0.545773 0.392807 0.778297 O\n0.805028 0.888863 0.285239 O\n0.627454 0.102325 0.442271 O\n0.387691 0.880767 0.057186 O\n0.954227 0.892807 0.778297 O\n0.372546 0.897675 0.557729 O\n0.454227 0.607193 0.221703 O\n0.913337 0.199532 0.937806 O\n0.553729 0.105407 0.259277 O\n0.334224 0.222996 0.409180 O\n0.872546 0.602325 0.442271 O\n0.612309 0.119233 0.942814 O\n0.586663 0.699532 0.937806 O\n0.413337 0.300468 0.062194 O\n0.127454 0.397675 0.557729 O\n0.323183 0.191592 0.908995 O\n0.925839 0.191851 0.433819 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"Mn",
"B",
"O"
],
"chemical_system": "B-Ca-Mn-O",
"density": 3.2213474122410704,
"density_atomic": 0.08879122642697461,
"volume": 810.8909280492439,
"volume_molar": 6.7823601523883035,
"formula_full": "Ca8 Mn8 B16 O40",
"formula_reduced": "CaMnB2O5",
"formula_anonymous": "ABC2D5",
"energy": -601.5276307099999,
"energy_per_atom": -8.354550426527776,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.670000Z",
"spacegroup": 14
},
{
"id": "mp-1210814",
"created_at": "2022-09-04T14:40:12.754210Z",
"structure_string": "Na4 P4 O24\n1.0\n3.915756 6.420555 0.000000\n-3.915756 6.420555 0.000000\n0.000000 5.804975 10.827138\nNa P O\n4 4 24\ndirect\n0.360839 0.160127 0.255628 Na\n0.639161 0.839873 0.744372 Na\n0.839873 0.639161 0.244372 Na\n0.160127 0.360839 0.755628 Na\n0.873128 0.144383 0.106575 P\n0.126872 0.855617 0.893425 P\n0.855617 0.126872 0.393425 P\n0.144383 0.873128 0.606575 P\n0.736050 0.981155 0.468930 O\n0.263950 0.018845 0.531070 O\n0.018845 0.263950 0.031070 O\n0.981155 0.736050 0.968930 O\n0.461511 0.722429 0.100207 O\n0.538489 0.277571 0.899793 O\n0.277571 0.538489 0.399793 O\n0.722429 0.461511 0.600207 O\n0.644406 0.252308 0.140563 O\n0.355594 0.747692 0.859437 O\n0.747692 0.355594 0.359437 O\n0.252308 0.644406 0.640563 O\n0.540327 0.814986 0.119914 O\n0.459673 0.185014 0.880086 O\n0.185014 0.459673 0.380086 O\n0.814986 0.540327 0.619914 O\n0.913418 0.966909 0.652113 O\n0.086582 0.033091 0.347887 O\n0.033091 0.086582 0.847887 O\n0.966909 0.913418 0.152113 O\n0.538016 0.864909 0.389954 O\n0.461984 0.135091 0.610046 O\n0.135091 0.461984 0.110046 O\n0.864909 0.538016 0.889954 O\n",
"nsites": 32,
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"elements": [
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"P",
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],
"chemical_system": "Na-O-P",
"density": 1.829584452199164,
"density_atomic": 0.05877844841999023,
"volume": 544.4172287664023,
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"formula_full": "Na4 P4 O24",
"formula_reduced": "NaPO6",
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"energy": -176.21249351,
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"spacegroup": 15
},
{
"id": "mp-771348",
"created_at": "2022-09-04T14:40:09.346818Z",
"structure_string": "Li1 Zn6 Fe17 O32\n1.0\n3.027202 5.235251 0.000000\n-3.027202 5.235251 0.000000\n0.000000 3.418109 19.628834\nLi Zn Fe O\n1 6 17 32\ndirect\n0.063060 0.063060 0.810838 Li\n0.657837 0.657837 0.029724 Zn\n0.781088 0.781088 0.155832 Zn\n0.155189 0.155189 0.532997 Zn\n0.031179 0.031179 0.406774 Zn\n0.906055 0.906055 0.281386 Zn\n0.278841 0.278841 0.658338 Zn\n0.307230 0.307230 0.065550 Fe\n0.255312 0.255312 0.248329 Fe\n0.002025 0.002025 0.996355 Fe\n0.530609 0.031108 0.406766 Fe\n0.031108 0.530609 0.406766 Fe\n0.281210 0.781220 0.155890 Fe\n0.781220 0.281210 0.155890 Fe\n0.557276 0.557276 0.314559 Fe\n0.504160 0.504160 0.500539 Fe\n0.276980 0.785511 0.658553 Fe\n0.785511 0.276980 0.658553 Fe\n0.806863 0.806863 0.563467 Fe\n0.530083 0.530083 0.903755 Fe\n0.406795 0.406795 0.783783 Fe\n0.754694 0.754694 0.749573 Fe\n0.038998 0.529701 0.903247 Fe\n0.529701 0.038998 0.903247 Fe\n0.096507 0.609881 0.214606 O\n0.609881 0.096507 0.214606 O\n0.466649 0.951010 0.095834 O\n0.951010 0.466649 0.095834 O\n0.474056 0.474056 0.096621 O\n0.723015 0.723015 0.347308 O\n0.589812 0.589812 0.214244 O\n0.222412 0.222412 0.347612 O\n0.090251 0.090251 0.213917 O\n0.973142 0.973142 0.095990 O\n0.346594 0.859147 0.466240 O\n0.859147 0.346594 0.466240 O\n0.716043 0.202342 0.346495 O\n0.202342 0.716043 0.346495 O\n0.091185 0.091185 0.709660 O\n0.840496 0.840496 0.463656 O\n0.969010 0.969010 0.598805 O\n0.469727 0.469727 0.600157 O\n0.339559 0.339559 0.465314 O\n0.583087 0.583087 0.720735 O\n0.589314 0.118450 0.722247 O\n0.118450 0.589314 0.722247 O\n0.961934 0.456426 0.597521 O\n0.237363 0.680893 0.845689 O\n0.680893 0.237363 0.845689 O\n0.456426 0.961934 0.597521 O\n0.238723 0.238723 0.844823 O\n0.344230 0.344230 0.965430 O\n0.716961 0.716961 0.849277 O\n0.838754 0.838754 0.963708 O\n0.359880 0.840101 0.962382 O\n0.840101 0.359880 0.962382 O\n",
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],
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"volume": 622.1618938933024,
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"formula_full": "Li1 Zn6 Fe17 O32",
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"spacegroup": 8
},
{
"id": "mp-1013842",
"created_at": "2022-09-04T14:40:05.274053Z",
"structure_string": "Na12 Mn8 Ge12 O48\n1.0\n10.019062 0.001092 -3.542597\n-5.007798 8.673171 -3.540367\n-0.000998 0.001000 10.624966\nNa Mn Ge O\n12 8 12 48\ndirect\n0.625029 0.250036 0.874901 Na\n0.875217 0.750432 0.625041 Na\n0.749967 0.625007 0.875073 Na\n0.249764 0.875191 0.624762 Na\n0.874996 0.625372 0.250134 Na\n0.625149 0.875084 0.750125 Na\n0.374971 0.749964 0.125098 Na\n0.124783 0.249568 0.374958 Na\n0.250033 0.374993 0.124927 Na\n0.750236 0.124810 0.375238 Na\n0.125004 0.374628 0.749866 Na\n0.374850 0.124916 0.249874 Na\n0.500001 0.500000 0.499999 Mn\n0.500002 0.500002 0.000000 Mn\n0.499999 0.000000 0.500001 Mn\n0.000000 0.499999 0.499998 Mn\n0.500001 0.000001 0.000001 Mn\n0.000000 0.000001 0.500001 Mn\n0.000000 0.500001 0.000000 Mn\n0.000001 0.999999 0.999999 Mn\n0.874933 0.124838 0.749770 Ge\n0.125064 0.875157 0.250229 Ge\n0.250074 0.624990 0.375003 Ge\n0.124993 0.749981 0.875048 Ge\n0.750194 0.875080 0.125158 Ge\n0.374825 0.249877 0.625013 Ge\n0.625178 0.750124 0.374990 Ge\n0.875004 0.250020 0.124954 Ge\n0.249807 0.124918 0.874842 Ge\n0.749925 0.375011 0.624997 Ge\n0.374946 0.624997 0.750030 Ge\n0.625052 0.375001 0.249972 Ge\n0.805384 0.417901 0.818690 O\n0.081084 0.886660 0.400252 O\n0.681312 0.099187 0.986693 O\n0.694741 0.513543 0.612579 O\n0.694462 0.681136 0.081528 O\n0.513266 0.612464 0.694620 O\n0.099336 0.612652 0.418043 O\n0.612048 0.694617 0.513228 O\n0.400832 0.818740 0.513536 O\n0.887042 0.986633 0.805490 O\n0.986471 0.805214 0.887246 O\n0.081987 0.694609 0.681271 O\n0.612752 0.417952 0.099192 O\n0.513218 0.400888 0.818717 O\n0.681293 0.082155 0.694493 O\n0.418466 0.099587 0.612958 O\n0.818751 0.513352 0.400682 O\n0.401146 0.082556 0.887953 O\n0.099790 0.986434 0.680883 O\n0.599168 0.181258 0.486462 O\n0.986851 0.681403 0.098911 O\n0.819112 0.805569 0.418924 O\n0.887422 0.400973 0.082198 O\n0.805521 0.887653 0.986769 O\n0.194616 0.582098 0.181308 O\n0.918914 0.113339 0.599749 O\n0.318690 0.900814 0.013309 O\n0.305259 0.486457 0.387421 O\n0.305541 0.318867 0.918475 O\n0.486733 0.387536 0.305380 O\n0.900664 0.387346 0.581954 O\n0.387952 0.305386 0.486773 O\n0.194478 0.112348 0.013230 O\n0.112577 0.599030 0.917802 O\n0.180889 0.194432 0.581077 O\n0.582227 0.181226 0.194810 O\n0.013150 0.318597 0.901090 O\n0.900212 0.013569 0.319118 O\n0.598855 0.917445 0.112047 O\n0.181247 0.486647 0.599317 O\n0.581533 0.900414 0.387042 O\n0.318707 0.917844 0.305507 O\n0.486782 0.599112 0.181284 O\n0.387247 0.582047 0.900808 O\n0.918012 0.305390 0.318726 O\n0.013531 0.194786 0.112754 O\n0.112957 0.013365 0.194508 O\n0.417773 0.818774 0.805190 O\n",
"nsites": 80,
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"volume": 923.358728414625,
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"formula_full": "Na12 Mn8 Ge12 O48",
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