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{
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"results": [
{
"id": "mp-1246639",
"created_at": "2022-09-04T14:48:29.647109Z",
"structure_string": "Nb6 Pb6 N10\n1.0\n6.352991 -0.515037 0.285524\n-1.311630 7.846851 0.131540\n-1.627555 -2.840737 8.649471\nNb Pb N\n6 6 10\ndirect\n0.918095 0.301005 0.960744 Nb\n0.081905 0.698995 0.039256 Nb\n0.671197 0.984716 0.622186 Nb\n0.328803 0.015284 0.377814 Nb\n0.100599 0.924225 0.712799 Nb\n0.899401 0.075775 0.287201 Nb\n0.746798 0.454401 0.512031 Pb\n0.253202 0.545599 0.487969 Pb\n0.517855 0.792370 0.874603 Pb\n0.482145 0.207630 0.125397 Pb\n0.525839 0.650821 0.220961 Pb\n0.474161 0.349179 0.779039 Pb\n0.965626 0.129189 0.770137 N\n0.034374 0.870811 0.229863 N\n0.817541 0.787424 0.583420 N\n0.182459 0.212576 0.416580 N\n0.800308 0.518355 0.962940 N\n0.199692 0.481645 0.037060 N\n0.323158 0.949903 0.571037 N\n0.676842 0.050097 0.428963 N\n0.147306 0.817447 0.879432 N\n0.852694 0.182553 0.120568 N\n",
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},
{
"id": "mp-1227111",
"created_at": "2022-09-04T14:45:38.794309Z",
"structure_string": "Ca2 La2 Al6 O14\n1.0\n5.495449 -5.619059 0.000000\n5.495449 5.619059 0.000000\n0.000000 0.000000 5.195171\nCa La Al O\n2 2 6 14\ndirect\n0.659804 0.659804 0.485367 Ca\n0.340196 0.340196 0.485367 Ca\n0.834821 0.165179 0.507910 La\n0.165179 0.834821 0.507910 La\n0.853323 0.853323 0.041422 Al\n0.639709 0.360291 0.957712 Al\n0.146677 0.146677 0.041422 Al\n0.360291 0.639709 0.957712 Al\n0.500000 0.000000 0.004847 Al\n0.000000 0.500000 0.004847 Al\n0.860705 0.860705 0.704962 O\n0.642539 0.357461 0.293257 O\n0.139295 0.139295 0.704962 O\n0.357461 0.642539 0.293257 O\n0.662767 0.913221 0.197486 O\n0.838219 0.410197 0.806679 O\n0.337233 0.086779 0.197486 O\n0.161781 0.589803 0.806679 O\n0.410197 0.838219 0.806679 O\n0.086779 0.337233 0.197486 O\n0.589803 0.161781 0.806679 O\n0.913221 0.662767 0.197486 O\n0.500000 0.500000 0.809338 O\n0.000000 0.000000 0.183047 O\n",
"nsites": 24,
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"elements": [
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"La",
"Al",
"O"
],
"chemical_system": "Al-Ca-La-O",
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"density_atomic": 0.07480224374845364,
"volume": 320.84599067252105,
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"formula_full": "Ca2 La2 Al6 O14",
"formula_reduced": "CaLaAl3O7",
"formula_anonymous": "ABC3D7",
"energy": -191.36645614,
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"updated_at": "2021-11-28T01:37:04.525000Z",
"spacegroup": 35
},
{
"id": "mp-556010",
"created_at": "2022-09-04T14:47:13.035744Z",
"structure_string": "Lu2 Mo2 Cl2 O8\n1.0\n5.939981 0.000000 0.000000\n2.105877 6.150123 0.000000\n1.460403 1.586505 6.596598\nLu Mo Cl O\n2 2 2 8\ndirect\n0.757583 0.801623 0.131194 Lu\n0.242417 0.198377 0.868806 Lu\n0.623770 0.644164 0.732551 Mo\n0.376230 0.355836 0.267449 Mo\n0.010070 0.025015 0.225512 Cl\n0.989930 0.974985 0.774488 Cl\n0.091194 0.522921 0.190230 O\n0.908806 0.477079 0.809770 O\n0.344101 0.250071 0.534211 O\n0.576732 0.525580 0.201713 O\n0.655899 0.749929 0.465789 O\n0.477664 0.129697 0.129383 O\n0.522336 0.870303 0.870617 O\n0.423268 0.474420 0.798287 O\n",
"nsites": 14,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Lu-Mo-O",
"density": 5.1040095472117875,
"density_atomic": 0.058095053972216926,
"volume": 240.98437031653825,
"volume_molar": 10.366012850043994,
"formula_full": "Lu2 Mo2 Cl2 O8",
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"formula_anonymous": "ABCD4",
"energy": -111.63047834,
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"spacegroup": 2
},
{
"id": "mp-695112",
"created_at": "2022-09-04T14:42:22.584604Z",
"structure_string": "Na12 Zr8 Si8 P4 O48\n1.0\n7.979992 0.038492 4.937988\n2.753315 7.592822 4.966585\n0.028562 0.090257 18.905186\nNa Zr Si P O\n12 8 8 4 48\ndirect\n0.186845 0.822150 0.026602 Na\n0.303223 0.463427 0.335165 Na\n0.753235 0.124123 0.194697 Na\n0.243701 0.908597 0.321485 Na\n0.668544 0.248441 0.451484 Na\n0.813487 0.579605 0.129570 Na\n0.343594 0.751979 0.544243 Na\n0.753950 0.098085 0.683072 Na\n0.473297 0.468009 0.769953 Na\n0.244741 0.887302 0.803549 Na\n0.682423 0.236016 0.965894 Na\n0.914644 0.671012 0.624910 Na\n0.149288 0.149450 0.066136 Zr\n0.354273 0.364803 0.172190 Zr\n0.143346 0.151194 0.569149 Zr\n0.346952 0.355367 0.680345 Zr\n0.645704 0.651502 0.326615 Zr\n0.855444 0.844311 0.422811 Zr\n0.644196 0.650126 0.826971 Zr\n0.855501 0.846278 0.924227 Zr\n0.040812 0.751980 0.234843 Si\n0.465632 0.035275 0.372064 Si\n0.753426 0.455260 0.020547 Si\n0.245857 0.545939 0.480941 Si\n0.048091 0.749103 0.732929 Si\n0.461096 0.028606 0.873998 Si\n0.745660 0.457661 0.521884 Si\n0.254826 0.540721 0.974070 Si\n0.535853 0.966208 0.125762 P\n0.960632 0.251923 0.263783 P\n0.536570 0.968043 0.623958 P\n0.951458 0.252413 0.766303 P\n0.144078 0.252497 0.241490 O\n0.300374 0.509634 0.055196 O\n0.064149 0.925951 0.146155 O\n0.533728 0.125415 0.131072 O\n0.201357 0.572152 0.216156 O\n0.049024 0.758547 0.317929 O\n0.317866 0.055815 0.467635 O\n0.421341 0.214448 0.288916 O\n0.583645 0.422306 0.112205 O\n0.215816 0.372990 0.498818 O\n0.069198 0.726269 0.470421 O\n0.355399 0.005214 0.125245 O\n0.663650 0.997753 0.364729 O\n0.129515 0.264202 0.745659 O\n0.922405 0.272899 0.035217 O\n0.789950 0.623498 0.003467 O\n0.418263 0.568310 0.388295 O\n0.273902 0.517166 0.566980 O\n0.573705 0.794712 0.205943 O\n0.076770 0.918351 0.640891 O\n0.692120 0.935481 0.039253 O\n0.529685 0.126670 0.632565 O\n0.220250 0.571959 0.717463 O\n0.036180 0.779566 0.813587 O\n0.958295 0.241949 0.185163 O\n0.806839 0.425273 0.279500 O\n0.463324 0.864649 0.369785 O\n0.299598 0.048197 0.966519 O\n0.926404 0.092531 0.350767 O\n0.437061 0.208535 0.787253 O\n0.705199 0.483863 0.440304 O\n0.572083 0.430631 0.613389 O\n0.216893 0.369816 0.997452 O\n0.082815 0.727352 0.964703 O\n0.847913 0.744509 0.260739 O\n0.351389 0.999616 0.631311 O\n0.653505 0.981071 0.875862 O\n0.917365 0.278819 0.538043 O\n0.770812 0.636402 0.499834 O\n0.426048 0.564638 0.879265 O\n0.588064 0.793036 0.699948 O\n0.684755 0.951285 0.533906 O\n0.967226 0.217844 0.691150 O\n0.795437 0.428718 0.774444 O\n0.461417 0.868786 0.861108 O\n0.915666 0.098836 0.856391 O\n0.713422 0.491498 0.936207 O\n0.864003 0.733031 0.750619 O\n",
"nsites": 80,
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"elements": [
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],
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"density": 3.0910940338074986,
"density_atomic": 0.07017183118508233,
"volume": 1140.0586054109847,
"volume_molar": 8.58199174554281,
"formula_full": "Na12 Zr8 Si8 P4 O48",
"formula_reduced": "Na3Zr2Si2PO12",
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"energy": -637.8888663,
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"updated_at": "2021-11-28T01:35:45.685000Z",
"spacegroup": 1
},
{
"id": "mp-560004",
"created_at": "2022-09-04T14:45:39.923538Z",
"structure_string": "Na16 U8 Si8 O48\n1.0\n-6.435866 6.435866 7.008133\n6.435866 -6.435866 7.008133\n6.435866 6.435866 -7.008133\nNa U Si O\n16 8 8 48\ndirect\n0.945213 0.945213 0.390426 Na\n0.500000 0.000000 0.500000 Na\n0.804787 0.304787 0.109574 Na\n0.554787 0.554787 0.609574 Na\n0.054787 0.445213 0.000000 Na\n0.445213 0.054787 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.250000 0.250000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.195213 0.695213 0.890426 Na\n0.304787 0.195213 0.500000 Na\n0.750000 0.750000 0.000000 Na\n0.695213 0.804787 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.875000 0.625000 0.250000 U\n0.875000 0.625000 0.750000 U\n0.375000 0.625000 0.250000 U\n0.875000 0.125000 0.750000 U\n0.375000 0.125000 0.750000 U\n0.375000 0.625000 0.750000 U\n0.375000 0.125000 0.250000 U\n0.875000 0.125000 0.250000 U\n0.125000 0.284421 0.659421 Si\n0.125000 0.784421 0.159421 Si\n0.625000 0.965579 0.840579 Si\n0.034421 0.875000 0.659421 Si\n0.715579 0.375000 0.840579 Si\n0.215579 0.375000 0.340579 Si\n0.534421 0.875000 0.159421 Si\n0.625000 0.465579 0.340579 Si\n0.197095 0.451398 0.709415 O\n0.742571 0.689995 0.185722 O\n0.237680 0.447095 0.245698 O\n0.241982 0.951398 0.254302 O\n0.316755 0.496394 0.517973 O\n0.548602 0.258018 0.745698 O\n0.048602 0.302905 0.290585 O\n0.741982 0.487680 0.290585 O\n0.771579 0.451217 0.017973 O\n0.246394 0.228421 0.679639 O\n0.552905 0.798602 0.790585 O\n0.245727 0.693151 0.685722 O\n0.048783 0.728421 0.982027 O\n0.504273 0.556849 0.814278 O\n0.978421 0.798783 0.482027 O\n0.439995 0.754273 0.447424 O\n0.003606 0.183245 0.482027 O\n0.433245 0.753606 0.982027 O\n0.478421 0.996394 0.179639 O\n0.508018 0.298602 0.245698 O\n0.810005 0.757429 0.814278 O\n0.701398 0.947095 0.209415 O\n0.701217 0.521579 0.517973 O\n0.008018 0.762320 0.209415 O\n0.242571 0.056849 0.052576 O\n0.745727 0.060005 0.552576 O\n0.201398 0.991982 0.754302 O\n0.737680 0.491982 0.790585 O\n0.306849 0.992571 0.552576 O\n0.943151 0.995727 0.185722 O\n0.012320 0.758018 0.709415 O\n0.004273 0.189995 0.947424 O\n0.201217 0.683245 0.179639 O\n0.512320 0.802905 0.254302 O\n0.443151 0.257429 0.947424 O\n0.507429 0.193151 0.447424 O\n0.271579 0.253606 0.320361 O\n0.052905 0.262320 0.754302 O\n0.806849 0.254273 0.314278 O\n0.007429 0.560005 0.314278 O\n0.697095 0.987680 0.745698 O\n0.933245 0.951217 0.679639 O\n0.548783 0.566755 0.320361 O\n0.746394 0.066755 0.017973 O\n0.310005 0.495727 0.052576 O\n0.816755 0.298783 0.820361 O\n0.939995 0.492571 0.685722 O\n0.503606 0.021579 0.820361 O\n",
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"formula_full": "Na16 U8 Si8 O48",
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"spacegroup": 142
},
{
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"created_at": "2022-09-04T14:46:01.444191Z",
"structure_string": "Nb4 Si4 Pt4\n1.0\n3.857903 0.000000 0.000000\n0.000000 6.485923 0.000000\n0.000000 0.000000 7.432338\nNb Si Pt\n4 4 4\ndirect\n0.750000 0.473259 0.334869 Nb\n0.250000 0.026741 0.834869 Nb\n0.750000 0.973259 0.165131 Nb\n0.250000 0.526741 0.665131 Nb\n0.250000 0.268781 0.125903 Si\n0.250000 0.768781 0.374097 Si\n0.750000 0.731219 0.874097 Si\n0.750000 0.231219 0.625903 Si\n0.250000 0.652035 0.065237 Pt\n0.250000 0.152035 0.434763 Pt\n0.750000 0.847965 0.565237 Pt\n0.750000 0.347965 0.934763 Pt\n",
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],
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"formula_full": "Nb4 Si4 Pt4",
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{
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