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{
"id": "mp-1276717",
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{
"id": "mp-26819",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.497733 0.000000 0.000000\n0.000000 8.056918 0.000000\n0.000000 2.162835 8.298421\nLi Mn P O\n4 4 4 16\ndirect\n0.848673 0.031103 0.069450 Li\n0.341692 0.502219 0.283450 Li\n0.151327 0.031103 0.569450 Li\n0.658308 0.502219 0.783450 Li\n0.341408 0.133127 0.196834 Mn\n0.834672 0.632868 0.396680 Mn\n0.658592 0.133127 0.696834 Mn\n0.165328 0.632868 0.896680 Mn\n0.163978 0.257762 0.824463 P\n0.335636 0.753955 0.515396 P\n0.836022 0.257762 0.324463 P\n0.664364 0.753955 0.015396 P\n0.405240 0.681803 0.063950 O\n0.798209 0.625872 0.936110 O\n0.160912 0.120770 0.989524 O\n0.315007 0.414055 0.844619 O\n0.712447 0.181643 0.194420 O\n0.663276 0.936344 0.900160 O\n0.104396 0.309086 0.273358 O\n0.802431 0.780596 0.165386 O\n0.684993 0.414055 0.344619 O\n0.839088 0.120770 0.489524 O\n0.197569 0.780596 0.665386 O\n0.336724 0.936344 0.400160 O\n0.287553 0.181643 0.694420 O\n0.594760 0.681803 0.563950 O\n0.895604 0.309086 0.773358 O\n0.201791 0.625872 0.436110 O\n",
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],
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
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"spacegroup": 7
},
{
"id": "mp-1223143",
"created_at": "2022-09-04T14:42:12.963877Z",
"structure_string": "La3 Sm1 Cr4 O12\n1.0\n7.858768 0.000000 0.000000\n0.000000 5.544270 0.000000\n0.000000 0.010492 5.589139\nLa Sm Cr O\n3 1 4 12\ndirect\n0.000000 0.006909 0.963812 La\n0.500000 0.506827 0.533404 La\n0.500000 0.991652 0.036006 La\n0.000000 0.488786 0.452064 Sm\n0.247632 0.999435 0.500583 Cr\n0.751686 0.500619 0.998543 Cr\n0.752368 0.999435 0.500583 Cr\n0.248314 0.500619 0.998543 Cr\n0.000000 0.580352 0.028377 O\n0.000000 0.905332 0.517488 O\n0.500000 0.419370 0.982013 O\n0.500000 0.079359 0.483574 O\n0.203370 0.214721 0.214641 O\n0.798869 0.293999 0.706382 O\n0.707885 0.791953 0.791472 O\n0.290499 0.709980 0.290012 O\n0.292115 0.791953 0.791472 O\n0.709501 0.709980 0.290012 O\n0.796630 0.214721 0.214641 O\n0.201131 0.293999 0.706382 O\n",
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"formula_full": "La3 Sm1 Cr4 O12",
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{
"id": "mp-18104",
"created_at": "2022-09-04T14:42:12.928490Z",
"structure_string": "Na8 Si8 S20\n1.0\n6.420329 -6.458091 0.000000\n6.420329 6.458091 0.000000\n0.000000 0.000000 10.539485\nNa Si S\n8 8 20\ndirect\n0.902822 0.420287 0.250000 Na\n0.849378 0.849378 0.000000 Na\n0.849378 0.849378 0.500000 Na\n0.150622 0.150622 0.000000 Na\n0.579713 0.097178 0.250000 Na\n0.420287 0.902822 0.750000 Na\n0.097178 0.579713 0.750000 Na\n0.150622 0.150622 0.500000 Na\n0.689459 0.580518 0.750000 Si\n0.419482 0.310541 0.750000 Si\n0.580518 0.689459 0.250000 Si\n0.253190 0.746810 0.085466 Si\n0.746810 0.253190 0.585466 Si\n0.746810 0.253190 0.914534 Si\n0.310541 0.419482 0.250000 Si\n0.253190 0.746810 0.414534 Si\n0.487310 0.791941 0.082957 S\n0.791941 0.487310 0.917043 S\n0.208059 0.512690 0.417043 S\n0.845275 0.154725 0.750000 S\n0.160824 0.839176 0.575622 S\n0.839176 0.160824 0.075622 S\n0.839176 0.160824 0.424378 S\n0.160824 0.839176 0.924378 S\n0.803629 0.728757 0.250000 S\n0.196371 0.271243 0.750000 S\n0.728757 0.803629 0.750000 S\n0.271243 0.196371 0.250000 S\n0.512690 0.208059 0.582957 S\n0.208059 0.512690 0.082957 S\n0.791941 0.487310 0.582957 S\n0.512690 0.208059 0.917043 S\n0.487310 0.791941 0.417043 S\n0.456419 0.543581 0.750000 S\n0.543581 0.456419 0.250000 S\n0.154725 0.845275 0.250000 S\n",
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"volume": 873.9987861242743,
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"formula_full": "Na8 Si8 S20",
"formula_reduced": "Na2Si2S5",
"formula_anonymous": "A2B2C5",
"energy": -179.73257304999998,
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"spacegroup": 63
},
{
"id": "mp-1212351",
"created_at": "2022-09-04T14:42:12.935238Z",
"structure_string": "Na3 Cr1 O6\n1.0\n4.055221 -7.162634 0.000000\n4.055221 7.162634 0.000000\n0.000000 0.000000 32.489206\nNa Cr O\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.230228 O\n0.000000 0.000000 0.769772 O\n0.220360 0.964652 0.000000 O\n0.779640 0.035348 0.000000 O\n0.964652 0.220360 0.000000 O\n0.035348 0.779640 0.000000 O\n",
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"formula_full": "Na3 Cr1 O6",
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{
"id": "mp-1201323",
"created_at": "2022-09-04T14:42:12.949691Z",
"structure_string": "K4 Nd4 H24 C16 O44\n1.0\n3.768459 11.743913 0.000000\n-3.768459 11.743913 0.000000\n0.000000 2.122897 12.853104\nK Nd H C O\n4 4 24 16 44\ndirect\n0.419285 0.420164 0.869984 K\n0.579836 0.580715 0.630016 K\n0.580715 0.579836 0.130016 K\n0.420164 0.419285 0.369984 K\n0.863776 0.862661 0.513870 Nd\n0.137339 0.136224 0.986130 Nd\n0.136224 0.137339 0.486130 Nd\n0.862661 0.863776 0.013870 Nd\n0.459394 0.178076 0.622652 H\n0.821924 0.540606 0.877348 H\n0.540606 0.821924 0.377348 H\n0.178076 0.459394 0.122652 H\n0.443801 0.155429 0.511155 H\n0.844571 0.556199 0.988845 H\n0.556199 0.844571 0.488845 H\n0.155429 0.443801 0.011155 H\n0.197919 0.432255 0.718283 H\n0.567745 0.802081 0.781717 H\n0.802081 0.567745 0.281717 H\n0.432255 0.197919 0.218283 H\n0.306149 0.268592 0.801831 H\n0.731408 0.693851 0.698169 H\n0.693851 0.731408 0.198169 H\n0.268592 0.306149 0.301831 H\n0.354800 0.540141 0.615428 H\n0.459859 0.645200 0.884572 H\n0.645200 0.459859 0.384572 H\n0.540141 0.354800 0.115428 H\n0.556793 0.326164 0.635547 H\n0.673836 0.443207 0.864453 H\n0.443207 0.673836 0.364453 H\n0.326164 0.556793 0.135547 H\n0.940453 0.758676 0.768829 C\n0.241324 0.059547 0.731171 C\n0.059547 0.241324 0.231171 C\n0.758676 0.940453 0.268829 C\n0.810243 0.966016 0.756399 C\n0.033984 0.189757 0.743601 C\n0.189757 0.033984 0.243601 C\n0.966016 0.810243 0.256399 C\n0.905415 0.097309 0.475785 C\n0.902691 0.094585 0.024215 C\n0.094585 0.902691 0.524215 C\n0.097309 0.905415 0.975785 C\n0.899276 0.559199 0.512081 C\n0.440801 0.100724 0.987919 C\n0.100724 0.440801 0.487919 C\n0.559199 0.899276 0.012081 C\n0.001346 0.678286 0.858127 O\n0.321714 0.998654 0.641873 O\n0.998654 0.321714 0.141873 O\n0.678286 0.001346 0.358127 O\n0.979306 0.682936 0.688555 O\n0.317064 0.020694 0.811445 O\n0.020694 0.317064 0.311445 O\n0.682936 0.979306 0.188555 O\n0.764224 0.041550 0.838653 O\n0.958450 0.235776 0.661347 O\n0.235776 0.958450 0.161347 O\n0.041550 0.764224 0.338653 O\n0.761806 0.041467 0.665294 O\n0.958533 0.238194 0.834706 O\n0.238194 0.958533 0.334706 O\n0.041467 0.761806 0.165294 O\n0.795327 0.114932 0.453510 O\n0.885068 0.204673 0.046490 O\n0.204673 0.885068 0.546490 O\n0.114932 0.795327 0.953510 O\n0.876071 0.224006 0.462334 O\n0.775994 0.123929 0.037666 O\n0.123929 0.775994 0.537666 O\n0.224006 0.876071 0.962334 O\n0.774051 0.729783 0.530510 O\n0.270217 0.225949 0.969490 O\n0.225949 0.270217 0.469490 O\n0.729783 0.774051 0.030510 O\n0.873516 0.478998 0.512474 O\n0.521002 0.126484 0.987526 O\n0.126484 0.521002 0.487526 O\n0.478998 0.873516 0.012474 O\n0.526014 0.126078 0.553371 O\n0.873922 0.473986 0.946629 O\n0.473986 0.873922 0.446629 O\n0.126078 0.526014 0.053371 O\n0.324013 0.301245 0.734594 O\n0.698755 0.675987 0.765406 O\n0.675987 0.698755 0.265406 O\n0.301245 0.324013 0.234594 O\n0.467604 0.453763 0.654080 O\n0.546237 0.532396 0.845920 O\n0.532396 0.546237 0.345920 O\n0.453763 0.467604 0.154080 O\n",
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{
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{
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{
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