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{
"id": "mp-1217848",
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{
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"spacegroup": 113
},
{
"id": "mp-1219358",
"created_at": "2022-09-04T14:47:55.372338Z",
"structure_string": "Sc4 Al4 Fe4\n1.0\n-2.518772 -4.460975 0.000000\n-2.603819 4.510080 0.000000\n0.000000 0.000000 -8.369262\nSc Al Fe\n4 4 4\ndirect\n0.665973 0.332972 0.551773 Sc\n0.340096 0.670058 0.424323 Sc\n0.340096 0.670058 0.075677 Sc\n0.665973 0.332972 0.948227 Sc\n0.985196 0.992589 0.485741 Al\n0.985196 0.992589 0.014259 Al\n0.177044 0.342259 0.750000 Al\n0.177025 0.834774 0.750000 Al\n0.666869 0.833436 0.750000 Fe\n0.824562 0.643087 0.250000 Fe\n0.824575 0.181498 0.250000 Fe\n0.347393 0.173708 0.250000 Fe\n",
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"volume": 192.28743244503775,
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"formula_full": "Sc4 Al4 Fe4",
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"spacegroup": 38
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{
"id": "mp-1667041",
"created_at": "2022-09-04T14:47:55.357335Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n-4.967312 -0.006739 3.097627\n4.518066 -0.004324 7.157366\n4.748975 8.708653 2.020659\nLi Mn Co O\n14 8 2 24\ndirect\n0.832883 0.167011 0.165963 Li\n0.333736 0.666217 0.167583 Li\n0.332945 0.166491 0.666629 Li\n0.833837 0.666912 0.666646 Li\n0.333265 0.166741 0.166475 Li\n0.833474 0.666532 0.166914 Li\n0.166863 0.338395 0.327242 Li\n0.660601 0.834856 0.327021 Li\n0.006557 0.499710 0.006311 Li\n0.499346 0.993580 0.006201 Li\n0.998450 0.001816 0.496556 Li\n0.499067 0.501484 0.497140 Li\n0.167834 0.831721 0.836451 Li\n0.667830 0.331879 0.836169 Li\n0.500693 0.502163 0.001673 Mn\n0.000962 0.995737 0.002299 Mn\n0.165896 0.831362 0.331651 Mn\n0.665755 0.337425 0.331026 Mn\n0.499201 0.000831 0.498294 Mn\n0.997929 0.502627 0.494620 Mn\n0.668905 0.830665 0.838774 Mn\n0.167348 0.332432 0.834997 Mn\n0.833331 0.166543 0.666646 Co\n0.333355 0.666797 0.666680 Co\n0.360401 0.424407 0.166017 O\n0.858165 0.921383 0.167129 O\n0.808491 0.411977 0.166186 O\n0.306250 0.908916 0.167355 O\n0.359419 0.917049 0.669944 O\n0.857353 0.419095 0.662959 O\n0.307194 0.416394 0.663456 O\n0.809227 0.914131 0.670324 O\n0.181285 0.054644 0.344077 O\n0.687047 0.564139 0.340637 O\n0.512719 0.737911 0.992628 O\n0.003091 0.231582 0.989405 O\n0.154159 0.595580 0.340902 O\n0.663431 0.101569 0.343707 O\n0.485372 0.279095 0.989102 O\n0.979635 0.768887 0.992846 O\n0.511924 0.263129 0.486855 O\n0.000725 0.737990 0.487093 O\n0.679421 0.057313 0.846763 O\n0.189111 0.583315 0.846168 O\n0.987320 0.275883 0.486593 O\n0.477557 0.750249 0.487144 O\n0.154736 0.069982 0.846446 O\n0.665904 0.595446 0.846297 O\n",
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],
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"density": 3.997152843433004,
"density_atomic": 0.11125606674796797,
"volume": 431.4371467826198,
"volume_molar": 5.412865056286911,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
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{
"id": "mp-675371",
"created_at": "2022-09-04T14:47:55.362559Z",
"structure_string": "In6 Ag6 Te12\n1.0\n2.394892 -4.148075 0.000000\n2.394892 4.148075 0.000000\n0.000000 0.000000 43.909698\nIn Ag Te\n6 6 12\ndirect\n0.333333 0.666667 0.010317 In\n0.000000 0.000000 0.918104 In\n0.666667 0.333333 0.831560 In\n0.333333 0.666667 0.747580 In\n0.666667 0.333333 0.575938 In\n0.000000 0.000000 0.662956 In\n0.000000 0.000000 0.413597 Ag\n0.333333 0.666667 0.488389 Ag\n0.666667 0.333333 0.331609 Ag\n0.000000 0.000000 0.167002 Ag\n0.333333 0.666667 0.249315 Ag\n0.666667 0.333333 0.085708 Ag\n0.000000 0.000000 0.984994 Te\n0.666667 0.333333 0.898933 Te\n0.333333 0.666667 0.814879 Te\n0.000000 0.000000 0.730105 Te\n0.666667 0.333333 0.643473 Te\n0.333333 0.666667 0.554117 Te\n0.000000 0.000000 0.477221 Te\n0.666667 0.333333 0.395729 Te\n0.333333 0.666667 0.313580 Te\n0.000000 0.000000 0.231607 Te\n0.666667 0.333333 0.150423 Te\n0.333333 0.666667 0.072861 Te\n",
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"elements": [
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],
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"formula_full": "In6 Ag6 Te12",
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},
{
"id": "mp-776008",
"created_at": "2022-09-04T14:47:55.411821Z",
"structure_string": "Ti1 Fe2 Ni3 P6 O24\n1.0\n7.221520 -4.327205 0.000000\n7.221520 4.327205 0.000000\n4.628618 0.000000 7.032137\nTi Fe Ni P O\n1 2 3 6 24\ndirect\n0.852953 0.852953 0.852953 Ti\n0.002252 0.002252 0.002252 Fe\n0.501116 0.501116 0.501116 Fe\n0.144775 0.144775 0.144775 Ni\n0.357672 0.357672 0.357672 Ni\n0.643086 0.643086 0.643086 Ni\n0.549979 0.250889 0.948637 P\n0.948637 0.549979 0.250889 P\n0.250889 0.948637 0.549979 P\n0.748550 0.048925 0.449451 P\n0.048925 0.449451 0.748550 P\n0.449451 0.748550 0.048925 P\n0.325667 0.100752 0.512195 O\n0.512195 0.325667 0.100752 O\n0.903733 0.061988 0.250363 O\n0.100752 0.512195 0.325667 O\n0.831756 0.984629 0.609316 O\n0.601797 0.251170 0.446485 O\n0.061988 0.250363 0.903733 O\n0.251170 0.446485 0.601797 O\n0.397776 0.173541 0.997743 O\n0.446485 0.601797 0.251170 O\n0.755249 0.093831 0.930039 O\n0.997743 0.397776 0.173541 O\n0.984629 0.609316 0.831756 O\n0.250363 0.903733 0.061988 O\n0.568429 0.399366 0.744524 O\n0.609316 0.831756 0.984629 O\n0.744524 0.568429 0.399366 O\n0.930039 0.755249 0.093831 O\n0.399366 0.744524 0.568429 O\n0.173541 0.997743 0.397776 O\n0.903883 0.495626 0.661853 O\n0.093831 0.930039 0.755249 O\n0.495626 0.661853 0.903883 O\n0.661853 0.903883 0.495626 O\n",
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{
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"structure_string": "Cu2 Sb4 O12\n1.0\n4.730371 0.000000 0.000000\n0.000000 4.730371 0.000000\n0.000000 0.000000 9.407124\nCu Sb O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.832296 Sb\n0.000000 0.000000 0.332296 Sb\n0.500000 0.500000 0.167704 Sb\n0.000000 0.000000 0.667704 Sb\n0.697080 0.697080 0.671281 O\n0.302920 0.302920 0.671281 O\n0.697080 0.697080 0.328719 O\n0.197080 0.802920 0.171281 O\n0.802920 0.197080 0.171281 O\n0.802920 0.197080 0.828719 O\n0.309374 0.309374 0.000000 O\n0.190626 0.809374 0.500000 O\n0.809374 0.190626 0.500000 O\n0.690626 0.690626 0.000000 O\n0.302920 0.302920 0.328719 O\n0.197080 0.802920 0.828719 O\n",
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{
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{
"id": "mp-1020012",
"created_at": "2022-09-04T14:47:55.504373Z",
"structure_string": "Li8 Ge16 O36\n1.0\n4.695928 0.000000 0.000000\n0.000000 9.453506 0.000000\n0.000000 0.000000 16.098192\nLi Ge O\n8 16 36\ndirect\n0.444424 0.533846 0.233900 Li\n0.555576 0.033846 0.766100 Li\n0.444424 0.033846 0.266100 Li\n0.555576 0.533846 0.733900 Li\n0.589487 0.726245 0.021064 Li\n0.410513 0.226245 0.978936 Li\n0.589487 0.226245 0.478936 Li\n0.410513 0.726245 0.521064 Li\n0.485431 0.764402 0.344267 Ge\n0.514569 0.264402 0.655733 Ge\n0.485431 0.264402 0.155733 Ge\n0.514569 0.764402 0.844267 Ge\n0.989887 0.766077 0.204214 Ge\n0.010113 0.266077 0.795786 Ge\n0.989887 0.266077 0.295786 Ge\n0.010113 0.766077 0.704214 Ge\n0.000961 0.474531 0.098337 Ge\n0.999039 0.974531 0.901663 Ge\n0.000961 0.974531 0.401663 Ge\n0.999039 0.474531 0.598337 Ge\n0.022034 0.554828 0.905850 Ge\n0.977966 0.054828 0.094150 Ge\n0.022034 0.054828 0.594150 Ge\n0.977966 0.554828 0.405850 Ge\n0.710180 0.929732 0.338858 O\n0.289820 0.429732 0.661142 O\n0.710180 0.429732 0.161142 O\n0.289820 0.929732 0.838858 O\n0.257623 0.847924 0.430992 O\n0.742377 0.347924 0.569008 O\n0.257623 0.347924 0.069008 O\n0.742377 0.847924 0.930992 O\n0.701487 0.676291 0.429515 O\n0.298513 0.176291 0.570485 O\n0.701487 0.176291 0.070485 O\n0.298513 0.676291 0.929515 O\n0.246718 0.602855 0.335619 O\n0.753282 0.102855 0.664381 O\n0.246718 0.102855 0.164381 O\n0.753282 0.602855 0.835619 O\n0.710698 0.682407 0.258191 O\n0.289302 0.182407 0.741809 O\n0.710698 0.182407 0.241809 O\n0.289302 0.682407 0.758191 O\n0.247832 0.855129 0.263109 O\n0.752168 0.355129 0.736891 O\n0.247832 0.355129 0.236891 O\n0.752168 0.855129 0.763109 O\n0.169651 0.628370 0.144916 O\n0.830349 0.128370 0.855084 O\n0.169651 0.128370 0.355084 O\n0.830349 0.628370 0.644916 O\n0.844945 0.882828 0.125339 O\n0.155055 0.382828 0.874661 O\n0.844945 0.382828 0.374661 O\n0.155055 0.882828 0.625339 O\n0.841577 0.541086 0.004565 O\n0.158423 0.041086 0.995435 O\n0.841577 0.041086 0.495435 O\n0.158423 0.541086 0.504565 O\n",
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