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{
"id": "mp-772139",
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"structure_string": "Li12 V6 P16 O58\n1.0\n-9.776650 0.000000 0.000000\n4.884393 8.504600 0.000000\n-0.035824 -0.064832 -13.952890\nLi V P O\n12 6 16 58\ndirect\n0.233449 0.912488 0.058266 Li\n0.664557 0.900850 0.564308 Li\n0.331629 0.662908 0.884029 Li\n0.675428 0.770525 0.058422 Li\n0.090955 0.328283 0.059676 Li\n0.765220 0.662027 0.442998 Li\n0.238515 0.334016 0.565538 Li\n0.900185 0.664939 0.936159 Li\n0.334036 0.095163 0.442525 Li\n0.900854 0.232659 0.443788 Li\n0.018030 0.044535 0.986767 Li\n0.011881 0.959891 0.514277 Li\n0.564797 0.565471 0.248571 V\n0.439665 0.435376 0.752995 V\n0.002999 0.564394 0.744049 V\n0.999297 0.434224 0.251117 V\n0.434570 0.999924 0.248432 V\n0.563214 0.003654 0.753410 V\n0.218612 0.909808 0.842532 P\n0.084038 0.777439 0.339820 P\n0.684727 0.913539 0.344428 P\n0.332651 0.666703 0.126935 P\n0.337989 0.665001 0.630040 P\n0.684895 0.778497 0.841960 P\n0.774841 0.688349 0.657467 P\n0.092354 0.314994 0.843658 P\n0.913493 0.683838 0.154187 P\n0.229305 0.315092 0.345199 P\n0.306620 0.223431 0.158408 P\n0.665608 0.332893 0.369014 P\n0.672525 0.338234 0.870483 P\n0.308517 0.085482 0.657201 P\n0.912820 0.223285 0.658914 P\n0.777677 0.084296 0.158922 P\n0.217331 0.007751 0.567067 O\n0.255454 0.916469 0.341105 O\n0.995713 0.766194 0.062973 O\n0.074842 0.742428 0.839303 O\n0.369237 0.894081 0.830420 O\n0.320258 0.810271 0.165977 O\n0.526938 0.909859 0.327588 O\n0.794270 0.994909 0.076522 O\n0.659239 0.919546 0.842588 O\n0.190800 0.666411 0.676470 O\n0.079788 0.618247 0.330352 O\n0.488222 0.812730 0.672352 O\n0.332410 0.665574 0.018828 O\n0.338955 0.662429 0.523283 O\n0.488797 0.679293 0.166202 O\n0.100194 0.476253 0.833550 O\n0.189260 0.512469 0.167123 O\n0.661500 0.745393 0.340939 O\n0.792426 0.796507 0.750026 O\n0.783762 0.783503 0.568806 O\n0.772358 0.772162 0.929820 O\n0.520607 0.628192 0.831049 O\n0.329453 0.512363 0.671812 O\n0.744583 0.661889 0.158942 O\n0.382466 0.472749 0.328011 O\n0.083708 0.338131 0.342746 O\n0.009053 0.800106 0.241745 O\n0.991108 0.789790 0.421920 O\n0.003055 0.221770 0.570630 O\n0.912891 0.658237 0.659406 O\n0.616237 0.536926 0.665385 O\n0.260318 0.342763 0.838721 O\n0.677700 0.488375 0.328116 O\n0.461491 0.379895 0.167844 O\n0.200051 0.209019 0.077437 O\n0.232047 0.233681 0.436084 O\n0.208786 0.200318 0.257488 O\n0.337544 0.254466 0.661712 O\n0.822204 0.483854 0.826711 O\n0.907578 0.527187 0.170764 O\n0.527855 0.342060 0.824227 O\n0.676395 0.347012 0.976424 O\n0.664385 0.333707 0.476235 O\n0.510093 0.188680 0.328246 O\n0.907556 0.376645 0.667538 O\n0.810198 0.319682 0.330019 O\n0.338606 0.083026 0.158906 O\n0.202049 0.997820 0.750076 O\n0.215985 0.993045 0.932252 O\n0.462202 0.079750 0.666552 O\n0.663469 0.186435 0.825015 O\n0.619936 0.081176 0.167907 O\n0.917507 0.256768 0.160991 O\n0.010757 0.227228 0.933392 O\n0.998251 0.205571 0.752700 O\n0.745588 0.079332 0.658948 O\n0.765362 0.996284 0.436475 O\n0.800232 0.008638 0.257522 O\n",
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"volume": 1160.1339347585351,
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"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
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{
"id": "mp-1213852",
"created_at": "2022-09-04T14:40:04.705974Z",
"structure_string": "Ce4 Si10 Pd6\n1.0\n-3.016516 4.983384 5.925509\n3.016516 -4.983384 5.925509\n3.016516 4.983384 -5.925509\nCe Si Pd\n4 10 6\ndirect\n0.638488 0.372194 0.266294 Ce\n0.361512 0.627806 0.733706 Ce\n0.105899 0.872194 0.233706 Ce\n0.894101 0.127806 0.766294 Ce\n0.465096 0.114477 0.350619 Si\n0.534904 0.885523 0.649381 Si\n0.763858 0.614477 0.149381 Si\n0.236142 0.385523 0.850619 Si\n0.273990 0.523990 0.250000 Si\n0.726010 0.476010 0.750000 Si\n0.726010 0.976010 0.250000 Si\n0.273990 0.023990 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.500000 0.250000 0.750000 Pd\n0.500000 0.750000 0.250000 Pd\n0.247251 0.137898 0.109354 Pd\n0.752749 0.862102 0.890646 Pd\n0.028544 0.637898 0.390646 Pd\n0.971456 0.362102 0.609354 Pd\n",
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"elements": [
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"chemical_system": "Ce-Pd-Si",
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"formula_full": "Ce4 Si10 Pd6",
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{
"id": "mp-1077506",
"created_at": "2022-09-04T14:40:04.709862Z",
"structure_string": "B3 N3\n1.0\n-1.333265 2.121333 3.502511\n1.333265 -2.121333 3.502511\n1.333265 2.121333 -3.502511\nB N\n3 3\ndirect\n0.050698 0.000000 0.050698 B\n0.768669 0.192725 0.575944 B\n0.383219 0.807275 0.575944 B\n0.015712 0.808479 0.207232 N\n0.398753 0.191521 0.207232 N\n0.722949 0.000000 0.722949 N\n",
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"updated_at": "2021-11-28T01:34:47.520000Z",
"spacegroup": 44
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{
"id": "mp-755050",
"created_at": "2022-09-04T14:40:04.726780Z",
"structure_string": "Li5 V2 Co3 O10\n1.0\n5.049120 0.110880 0.087110\n-1.107774 5.059838 -0.177813\n-1.578164 -2.722726 7.255566\nLi V Co O\n5 2 3 10\ndirect\n0.209069 0.907578 0.402843 Li\n0.404180 0.305551 0.793759 Li\n0.500000 0.500000 0.500000 Li\n0.595820 0.694449 0.206241 Li\n0.790931 0.092422 0.597157 Li\n0.109451 0.700884 0.690293 V\n0.890549 0.299116 0.309707 V\n0.000000 0.500000 0.000000 Co\n0.715294 0.905728 0.906775 Co\n0.284706 0.094272 0.093225 Co\n0.045855 0.084944 0.845122 O\n0.345235 0.707090 0.938067 O\n0.133996 0.322289 0.543134 O\n0.216217 0.473051 0.241604 O\n0.430567 0.895325 0.661412 O\n0.569433 0.104675 0.338588 O\n0.783783 0.526949 0.758396 O\n0.866004 0.677711 0.456866 O\n0.654765 0.292910 0.061933 O\n0.954145 0.915056 0.154878 O\n",
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{
"id": "mp-1247483",
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"structure_string": "Ni3 Sb1 N1\n1.0\n0.000000 0.000000 -3.918868\n-2.779721 -2.780002 0.000000\n-2.780486 2.780766 0.000000\nNi Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 N\n",
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"density": 8.547402603090255,
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{
"id": "mp-1204712",
"created_at": "2022-09-04T14:40:04.737859Z",
"structure_string": "Cr2 C12 N24 Cl6 O18\n1.0\n6.660924 -9.654651 0.000000\n6.660924 9.654651 0.000000\n-7.332971 0.000000 9.154656\nCr C N Cl O\n2 12 24 6 18\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.029446 0.837857 0.765273 C\n0.765273 0.029446 0.837857 C\n0.837857 0.765273 0.029446 C\n0.970554 0.162143 0.234727 C\n0.234727 0.970554 0.162143 C\n0.162143 0.234727 0.970554 C\n0.519171 0.329198 0.264359 C\n0.264359 0.519171 0.329198 C\n0.329198 0.264359 0.519171 C\n0.480829 0.670802 0.735641 C\n0.735641 0.480829 0.670802 C\n0.670802 0.735641 0.480829 C\n0.063549 0.774266 0.674445 N\n0.674445 0.063549 0.774266 N\n0.774266 0.674445 0.063549 N\n0.936451 0.225734 0.325555 N\n0.325555 0.936451 0.225734 N\n0.225734 0.325555 0.936451 N\n0.050449 0.894540 0.687446 N\n0.687446 0.050449 0.894540 N\n0.894540 0.687446 0.050449 N\n0.949551 0.105460 0.312554 N\n0.312554 0.949551 0.105460 N\n0.105460 0.312554 0.949551 N\n0.543535 0.260627 0.165718 N\n0.165718 0.543535 0.260627 N\n0.260627 0.165718 0.543535 N\n0.456465 0.739373 0.834282 N\n0.834282 0.456465 0.739373 N\n0.739373 0.834282 0.456465 N\n0.531678 0.381670 0.181311 N\n0.181311 0.531678 0.381670 N\n0.381670 0.181311 0.531678 N\n0.468322 0.618330 0.818689 N\n0.818689 0.468322 0.618330 N\n0.618330 0.818689 0.468322 N\n0.831588 0.165212 0.557480 Cl\n0.557480 0.831588 0.165212 Cl\n0.165212 0.557480 0.831588 Cl\n0.168412 0.834788 0.442520 Cl\n0.442520 0.168412 0.834788 Cl\n0.834788 0.442520 0.168412 Cl\n0.998298 0.837897 0.856703 O\n0.856703 0.998298 0.837897 O\n0.837897 0.856703 0.998298 O\n0.001702 0.162103 0.143297 O\n0.143297 0.001702 0.162103 O\n0.162103 0.143297 0.001702 O\n0.496742 0.333646 0.361629 O\n0.361629 0.496742 0.333646 O\n0.333646 0.361629 0.496742 O\n0.503258 0.666354 0.638371 O\n0.638371 0.503258 0.666354 O\n0.666354 0.638371 0.503258 O\n0.914160 0.581049 0.325342 O\n0.325342 0.914160 0.581049 O\n0.581049 0.325342 0.914160 O\n0.085840 0.418951 0.674658 O\n0.674658 0.085840 0.418951 O\n0.418951 0.674658 0.085840 O\n",
"nsites": 62,
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],
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"volume": 1177.4516514474326,
"volume_molar": 11.43674126308209,
"formula_full": "Cr2 C12 N24 Cl6 O18",
"formula_reduced": "CrC6N12(ClO3)3",
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{
"id": "mp-985806",
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"structure_string": "Al2 Cu1\n1.0\n0.000000 2.884555 2.884555\n2.884555 0.000000 2.884555\n2.884555 2.884555 0.000000\nAl Cu\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Cu\n",
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"formula_full": "Al2 Cu1",
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{
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{
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{
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}