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{
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"results": [
{
"id": "mp-1228109",
"created_at": "2022-09-04T14:39:25.694619Z",
"structure_string": "Ba8 Li13 Ga1 Sb12\n1.0\n2.487775 9.155265 0.000000\n-2.487775 9.155265 0.000000\n0.000000 2.572087 21.049169\nBa Li Ga Sb\n8 13 1 12\ndirect\n0.117335 0.117335 0.959639 Ba\n0.614519 0.614519 0.454159 Ba\n0.387385 0.387385 0.541422 Ba\n0.884071 0.884071 0.044241 Ba\n0.566910 0.566910 0.669161 Ba\n0.069523 0.069523 0.172288 Ba\n0.928338 0.928338 0.830884 Ba\n0.431036 0.431036 0.327505 Ba\n0.887092 0.887092 0.658284 Li\n0.383836 0.383836 0.158982 Li\n0.617154 0.617154 0.841591 Li\n0.115930 0.115930 0.340862 Li\n0.187817 0.187817 0.544737 Li\n0.690230 0.690230 0.045707 Li\n0.309637 0.309637 0.955084 Li\n0.811150 0.811150 0.452504 Li\n0.750303 0.750303 0.753238 Li\n0.249955 0.249955 0.248948 Li\n0.741024 0.741024 0.173268 Li\n0.259238 0.259238 0.829557 Li\n0.758915 0.758915 0.326562 Li\n0.240605 0.240605 0.672151 Ga\n0.748825 0.748825 0.598150 Sb\n0.249348 0.249348 0.091009 Sb\n0.750449 0.750449 0.904736 Sb\n0.250487 0.250487 0.412636 Sb\n0.023415 0.023415 0.563147 Sb\n0.523698 0.523698 0.060769 Sb\n0.478095 0.478095 0.935550 Sb\n0.975931 0.975931 0.438694 Sb\n0.371694 0.371694 0.724667 Sb\n0.875843 0.875843 0.227214 Sb\n0.125690 0.125690 0.768706 Sb\n0.624519 0.624519 0.273943 Sb\n",
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"updated_at": "2021-11-28T01:34:23.925000Z",
"spacegroup": 8
},
{
"id": "mp-561395",
"created_at": "2022-09-04T14:39:25.654678Z",
"structure_string": "Na4 Fe2 Ni2 F14\n1.0\n-3.650900 3.782645 5.215951\n3.650900 -3.782645 5.215951\n3.650900 3.782645 -5.215951\nNa Fe Ni F\n4 2 2 14\ndirect\n0.489853 0.750402 0.240255 Na\n0.995437 0.246297 0.749139 Na\n0.489853 0.249598 0.739451 Na\n0.502842 0.753703 0.749139 Na\n0.997619 0.749865 0.247754 Fe\n0.497889 0.250135 0.247754 Fe\n0.998191 0.749463 0.747654 Ni\n0.998191 0.250537 0.248727 Ni\n0.318331 0.934893 0.984454 F\n0.634121 0.157283 0.476839 F\n0.100937 0.500000 0.600937 F\n0.947818 0.833676 0.512109 F\n0.359246 0.341280 0.017965 F\n0.049560 0.666122 0.984454 F\n0.947818 0.435709 0.114143 F\n0.049560 0.065107 0.383438 F\n0.318331 0.333878 0.383438 F\n0.319556 0.842717 0.476839 F\n0.676685 0.658720 0.017965 F\n0.896693 0.000000 0.896693 F\n0.678434 0.166324 0.114143 F\n0.678434 0.564291 0.512109 F\n",
"nsites": 22,
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"elements": [
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"Fe",
"Ni",
"F"
],
"chemical_system": "F-Fe-Na-Ni",
"density": 3.383048206469178,
"density_atomic": 0.07635432887947678,
"volume": 288.1303564952604,
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"formula_full": "Na4 Fe2 Ni2 F14",
"formula_reduced": "Na2FeNiF7",
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"updated_at": "2021-11-28T01:34:32.487000Z",
"spacegroup": 44
},
{
"id": "mp-1223860",
"created_at": "2022-09-04T14:39:25.924186Z",
"structure_string": "Ir1 Ru1\n1.0\n4.523543 -1.358693 0.000000\n4.523543 1.358693 0.000000\n4.115445 0.000000 2.317670\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
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"elements": [
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],
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"density": 17.094651631723746,
"density_atomic": 0.07020181488097335,
"volume": 28.48929195621203,
"volume_molar": 8.578326315652228,
"formula_full": "Ir1 Ru1",
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"updated_at": "2021-11-28T01:34:45.418000Z",
"spacegroup": 166
},
{
"id": "mp-1176907",
"created_at": "2022-09-04T14:39:25.925372Z",
"structure_string": "Li14 Mn8 P16 O56\n1.0\n9.906220 0.000000 0.000000\n0.000000 9.883350 0.000000\n0.000000 2.560701 11.093094\nLi Mn P O\n14 8 16 56\ndirect\n0.579134 0.073426 0.551148 Li\n0.892478 0.163437 0.029662 Li\n0.092900 0.906546 0.958403 Li\n0.592900 0.093454 0.041597 Li\n0.392478 0.836563 0.970338 Li\n0.079134 0.926574 0.448852 Li\n0.219198 0.637895 0.449337 Li\n0.921289 0.587983 0.539829 Li\n0.606468 0.664049 0.029097 Li\n0.411290 0.402170 0.957473 Li\n0.911290 0.597830 0.042527 Li\n0.106468 0.335951 0.970903 Li\n0.421289 0.412017 0.460171 Li\n0.719198 0.362105 0.550663 Li\n0.076364 0.049241 0.666821 Mn\n0.785761 0.993349 0.821004 Mn\n0.285761 0.006651 0.178996 Mn\n0.576364 0.950759 0.333179 Mn\n0.419941 0.549602 0.676406 Mn\n0.715955 0.501963 0.820332 Mn\n0.215955 0.498037 0.179668 Mn\n0.919941 0.450398 0.323594 Mn\n0.548047 0.224680 0.761875 P\n0.296133 0.131422 0.890169 P\n0.066269 0.187304 0.243980 P\n0.846392 0.125803 0.424264 P\n0.346392 0.874197 0.575736 P\n0.566269 0.812696 0.756020 P\n0.959306 0.729308 0.753591 P\n0.796133 0.868578 0.109831 P\n0.204854 0.631335 0.893951 P\n0.048047 0.775320 0.238125 P\n0.433359 0.689264 0.243567 P\n0.647302 0.628575 0.421145 P\n0.147302 0.371425 0.578855 P\n0.933359 0.310736 0.756433 P\n0.704854 0.368665 0.106049 P\n0.459306 0.270692 0.246409 P\n0.586781 0.227766 0.632422 O\n0.151718 0.219135 0.568929 O\n0.922482 0.163008 0.729282 O\n0.639118 0.134974 0.858056 O\n0.400372 0.153235 0.777303 O\n0.171836 0.067050 0.843838 O\n0.364971 0.028096 0.997816 O\n0.722950 0.229987 0.073532 O\n0.915682 0.137425 0.293207 O\n0.061472 0.190588 0.110034 O\n0.476326 0.116577 0.226275 O\n0.703947 0.066540 0.411251 O\n0.165984 0.076711 0.308697 O\n0.938407 0.033281 0.515437 O\n0.438407 0.966719 0.484563 O\n0.665984 0.923289 0.691303 O\n0.203947 0.933460 0.588749 O\n0.976326 0.883423 0.773725 O\n0.415682 0.862575 0.706793 O\n0.561472 0.809412 0.889966 O\n0.222950 0.770013 0.926468 O\n0.864971 0.971904 0.002184 O\n0.671836 0.932950 0.156162 O\n0.900372 0.846765 0.222697 O\n0.422482 0.836992 0.270718 O\n0.139118 0.865026 0.141944 O\n0.923555 0.724601 0.627305 O\n0.651718 0.780865 0.431071 O\n0.332049 0.725706 0.556478 O\n0.086781 0.772234 0.367578 O\n0.865270 0.651193 0.854252 O\n0.587907 0.667716 0.727592 O\n0.105126 0.655283 0.778088 O\n0.330801 0.567414 0.850768 O\n0.133718 0.525762 0.998716 O\n0.775389 0.728803 0.078978 O\n0.431882 0.687487 0.111519 O\n0.579545 0.628273 0.291433 O\n0.034067 0.626750 0.212792 O\n0.788933 0.568360 0.417043 O\n0.326059 0.588781 0.313617 O\n0.562546 0.529671 0.515985 O\n0.062546 0.470329 0.484015 O\n0.826059 0.411219 0.686383 O\n0.288933 0.431640 0.582957 O\n0.534067 0.373250 0.787208 O\n0.931882 0.312513 0.888481 O\n0.079545 0.371727 0.708567 O\n0.275389 0.271197 0.921022 O\n0.633718 0.474238 0.001284 O\n0.830801 0.432586 0.149232 O\n0.605126 0.344717 0.221912 O\n0.365270 0.348807 0.145748 O\n0.087907 0.332284 0.272408 O\n0.832049 0.274294 0.443522 O\n0.423555 0.275399 0.372695 O\n",
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"elements": [
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"P",
"O"
],
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"density": 2.9480982897982377,
"density_atomic": 0.08654919173931878,
"volume": 1086.0875544987482,
"volume_molar": 6.958055458378333,
"formula_full": "Li14 Mn8 P16 O56",
"formula_reduced": "Li7Mn4(P2O7)4",
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"energy": -711.13509894,
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"updated_at": "2021-11-28T01:34:37.818000Z",
"spacegroup": 4
},
{
"id": "mp-695365",
"created_at": "2022-09-04T14:39:26.594807Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.711851 0.000000 0.000000\n0.017275 7.865117 0.000000\n0.032158 3.894531 6.846634\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.276759 0.332010 0.337580 Li\n0.544263 0.754984 0.166407 Al\n0.843599 0.422770 0.498267 Al\n0.338969 0.576295 0.908738 Al\n0.850138 0.482500 0.080022 Si\n0.543729 0.171077 0.081926 Si\n0.838425 0.083685 0.427328 Si\n0.053202 0.831890 0.252905 Si\n0.340529 0.910930 0.513893 Si\n0.539632 0.094266 0.741081 Si\n0.038918 0.916200 0.831998 Si\n0.332483 0.512091 0.572235 Si\n0.052411 0.249587 0.922615 Si\n0.044865 0.996242 0.004217 N\n0.796966 0.315534 0.001131 N\n0.913309 0.332191 0.324298 N\n0.546694 0.013974 0.987754 N\n0.543177 0.345751 0.591979 N\n0.563495 0.051239 0.342689 N\n0.065815 0.949994 0.391959 N\n0.282555 0.668192 0.321218 N\n0.798871 0.014864 0.675577 N\n0.297067 0.992574 0.684810 N\n0.413824 0.670430 0.652778 N\n0.074671 0.385726 0.672382 N\n0.052715 0.663302 0.955099 N\n0.293084 0.309152 0.019401 N\n0.580703 0.595869 0.058118 O\n0.807933 0.690014 0.314928 O\n",
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"formula_full": "Li1 Al3 Si9 N14 O2",
"formula_reduced": "LiAl3Si9(N7O)2",
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{
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"created_at": "2022-09-04T14:39:26.595555Z",
"structure_string": "Cs8 Mo8 N16\n1.0\n6.200089 0.000000 0.000000\n0.000000 8.770164 0.000000\n0.000000 0.000000 12.395504\nCs Mo N\n8 8 16\ndirect\n0.750000 0.126030 0.000000 Cs\n0.250000 0.873970 0.500000 Cs\n0.250000 0.873970 0.000000 Cs\n0.750000 0.126030 0.500000 Cs\n0.713683 0.375476 0.250000 Cs\n0.213683 0.624524 0.250000 Cs\n0.286317 0.624524 0.750000 Cs\n0.786317 0.375476 0.750000 Cs\n0.250000 0.374494 0.000000 Mo\n0.750000 0.625506 0.500000 Mo\n0.750000 0.625506 0.000000 Mo\n0.250000 0.374494 0.500000 Mo\n0.227737 0.124232 0.250000 Mo\n0.727737 0.875768 0.250000 Mo\n0.772263 0.875768 0.750000 Mo\n0.272263 0.124232 0.750000 Mo\n0.961561 0.016268 0.250000 N\n0.461561 0.983732 0.250000 N\n0.038439 0.983732 0.750000 N\n0.538439 0.016268 0.750000 N\n0.247190 0.248963 0.375012 N\n0.747190 0.751037 0.124988 N\n0.752810 0.751037 0.875012 N\n0.252810 0.248963 0.624988 N\n0.752810 0.751037 0.624988 N\n0.252810 0.248963 0.875012 N\n0.247190 0.248963 0.124988 N\n0.747190 0.751037 0.375012 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n",
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{
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"structure_string": "Sr1 Hf1 Mg6 O8\n1.0\n8.967055 -0.000000 0.000000\n0.000000 4.514691 0.000000\n0.000000 0.000000 4.514691\nSr Hf Mg O\n1 1 6 8\ndirect\n0.000000 -0.000000 -0.000000 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.268076 -0.000000 0.500000 Mg\n0.731924 0.000000 0.500000 Mg\n0.268076 0.500000 -0.000000 Mg\n0.731924 0.500000 0.000000 Mg\n0.275304 0.000000 -0.000000 O\n0.724696 -0.000000 0.000000 O\n0.256182 0.500000 0.500000 O\n0.743818 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Zr4 Cu1 Ni1\n1.0\n-3.295117 3.295117 2.603843\n3.295117 -3.295117 2.603843\n3.295117 3.295117 -2.603843\nZr Cu Ni\n4 1 1\ndirect\n0.411189 0.911189 0.822378 Zr\n0.088811 0.588811 0.177622 Zr\n0.588811 0.411189 0.500000 Zr\n0.911189 0.088811 0.500000 Zr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n",
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{
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"elements": [
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],
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"formula_full": "La16 Sm16 Ni32 O80",
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"updated_at": "2021-11-28T01:34:25.635000Z",
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},
{
"id": "mp-1097413",
"created_at": "2022-09-04T14:39:26.767006Z",
"structure_string": "Na1 La1 Ag2\n1.0\n-4.634354 5.480893 6.751239\n4.634354 -5.480893 6.751239\n4.634354 5.480893 -6.751239\nNa La Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 La\n0.765101 0.000000 0.765101 Ag\n0.234899 0.000000 0.234899 Ag\n",
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"formula_full": "Na1 La1 Ag2",
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{
"id": "mp-1208886",
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"structure_string": "Sm2 Al6 B8 O24\n1.0\n4.709544 3.651852 0.000000\n-4.709544 3.651852 0.000000\n0.000000 2.579963 10.898116\nSm Al B O\n2 6 8 24\ndirect\n0.963942 0.036058 0.750000 Sm\n0.036058 0.963942 0.250000 Sm\n0.695300 0.195018 0.028186 Al\n0.304700 0.804982 0.971814 Al\n0.804982 0.304700 0.471814 Al\n0.195018 0.695300 0.528186 Al\n0.411622 0.588378 0.750000 Al\n0.588378 0.411622 0.250000 Al\n0.492976 0.120621 0.722231 B\n0.507024 0.879379 0.277769 B\n0.879379 0.507024 0.777769 B\n0.120621 0.492976 0.222231 B\n0.719844 0.776914 0.504748 B\n0.280156 0.223086 0.495252 B\n0.223086 0.280156 0.995252 B\n0.776914 0.719844 0.004748 B\n0.193021 0.997320 0.563495 O\n0.806979 0.002680 0.436505 O\n0.002680 0.806979 0.936505 O\n0.997320 0.193021 0.063495 O\n0.422378 0.895673 0.794843 O\n0.577622 0.104327 0.205157 O\n0.104327 0.577622 0.705157 O\n0.895673 0.422378 0.294843 O\n0.699056 0.179834 0.638507 O\n0.300944 0.820166 0.361493 O\n0.820166 0.300944 0.861493 O\n0.179834 0.699056 0.138507 O\n0.630678 0.869956 0.996768 O\n0.369322 0.130044 0.003232 O\n0.130044 0.369322 0.503232 O\n0.869956 0.630678 0.496768 O\n0.353201 0.268746 0.741455 O\n0.646799 0.731254 0.258545 O\n0.731254 0.646799 0.758545 O\n0.268746 0.353201 0.241455 O\n0.493749 0.697871 0.573674 O\n0.506251 0.302129 0.426326 O\n0.302129 0.506251 0.926326 O\n0.697871 0.493749 0.073674 O\n",
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{
"id": "mp-1977436",
"created_at": "2022-09-04T14:39:23.591487Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n4.292147 4.943016 -1.464345\n-5.490317 5.286047 1.449148\n-0.010097 -0.013758 8.705237\nLi Mn Co O\n14 8 2 24\ndirect\n0.251102 0.252216 0.833692 Li\n0.748525 0.748660 0.829856 Li\n0.372711 0.886561 0.911741 Li\n0.870081 0.379943 0.908689 Li\n0.625147 0.116434 0.748998 Li\n0.131458 0.616064 0.753745 Li\n0.629505 0.132052 0.078850 Li\n0.116325 0.624265 0.075296 Li\n0.370748 0.868580 0.589121 Li\n0.868226 0.369245 0.591525 Li\n0.631823 0.131687 0.422666 Li\n0.131482 0.621103 0.422177 Li\n0.372493 0.873233 0.250727 Li\n0.869830 0.375880 0.249161 Li\n0.504503 0.501438 0.998328 Mn\n0.996502 0.001299 0.996068 Mn\n0.000288 0.998597 0.668581 Mn\n0.499979 0.498966 0.666975 Mn\n0.751466 0.750648 0.160489 Mn\n0.249558 0.251813 0.162852 Mn\n0.250129 0.250435 0.505138 Mn\n0.750688 0.747874 0.504120 Mn\n0.501949 0.498664 0.334974 Co\n0.998335 0.002752 0.334594 Co\n0.561013 0.336585 0.873209 O\n0.061699 0.835365 0.871489 O\n0.442641 0.665028 0.795831 O\n0.937415 0.164156 0.796973 O\n0.280725 0.065064 0.046098 O\n0.792371 0.570129 0.046124 O\n0.713942 0.931330 0.621638 O\n0.213174 0.435073 0.624245 O\n0.286544 0.066356 0.697290 O\n0.788950 0.561280 0.697743 O\n0.709764 0.931854 0.970205 O\n0.218222 0.443173 0.972030 O\n0.563225 0.319801 0.554423 O\n0.062131 0.830078 0.547725 O\n0.468536 0.689828 0.118217 O\n0.935697 0.170243 0.118006 O\n0.285668 0.068702 0.368487 O\n0.808029 0.586240 0.366718 O\n0.708238 0.924648 0.291788 O\n0.195125 0.417051 0.296279 O\n0.565605 0.325181 0.195213 O\n0.039181 0.817180 0.193318 O\n0.435697 0.676152 0.469927 O\n0.933555 0.171097 0.468663 O\n",
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],
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"formula_full": "Li14 Mn8 Co2 O24",
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}
]
}