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"results": [
{
"id": "mp-24142",
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"structure_string": "Mg2 Al2 H8 O4 F10\n1.0\n-3.313510 3.598366 5.207567\n3.313510 -3.598366 5.207567\n3.313510 3.598366 -5.207567\nMg Al H O F\n2 2 8 4 10\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.988229 0.720886 0.516402 H\n0.511771 0.028172 0.732657 H\n0.795515 0.279114 0.267343 H\n0.704485 0.971828 0.483598 H\n0.204485 0.720886 0.732657 H\n0.488229 0.971828 0.267343 H\n0.011771 0.279114 0.483598 H\n0.295515 0.028172 0.516402 H\n0.423132 0.132614 0.709482 O\n0.923132 0.213650 0.290518 O\n0.076868 0.786350 0.709482 O\n0.576868 0.867386 0.290518 O\n0.919813 0.188195 0.855914 F\n0.250000 0.570918 0.320918 F\n0.750000 0.429082 0.679082 F\n0.832281 0.563899 0.144086 F\n0.167719 0.436101 0.855914 F\n0.580187 0.436101 0.268382 F\n0.419813 0.563899 0.731618 F\n0.080187 0.811805 0.144086 F\n0.667719 0.811805 0.731618 F\n0.332281 0.188195 0.268382 F\n",
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"formula_full": "Mg2 Al2 H8 O4 F10",
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{
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"structure_string": "Mg1 Al2 P2 H18 O18\n1.0\n5.270116 0.000000 0.000000\n-2.417128 6.542435 0.000000\n-2.099259 -2.052867 9.867746\nMg Al P H O\n1 2 2 18 18\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.984964 0.078156 0.332778 P\n0.015036 0.921844 0.667222 P\n0.919094 0.423271 0.748182 H\n0.080906 0.576729 0.251818 H\n0.096023 0.658168 0.821384 H\n0.903977 0.341832 0.178616 H\n0.527021 0.989008 0.123219 H\n0.699465 0.058387 0.793600 H\n0.198343 0.397115 0.951410 H\n0.801657 0.602885 0.048590 H\n0.338740 0.402674 0.103218 H\n0.661260 0.597326 0.896782 H\n0.684984 0.505741 0.276921 H\n0.315016 0.494259 0.723079 H\n0.607500 0.699678 0.326381 H\n0.392500 0.300322 0.673619 H\n0.831675 0.325565 0.486405 H\n0.168325 0.674435 0.513595 H\n0.472979 0.010992 0.876781 H\n0.300535 0.941613 0.206400 H\n0.259270 0.313027 0.012970 O\n0.677817 0.062832 0.887692 O\n0.322183 0.937168 0.112308 O\n0.900997 0.485948 0.188934 O\n0.099003 0.514052 0.811066 O\n0.457949 0.457507 0.684229 O\n0.644047 0.289847 0.502532 O\n0.355953 0.710153 0.497468 O\n0.712140 0.954801 0.372479 O\n0.287860 0.045199 0.627521 O\n0.096762 0.905844 0.818104 O\n0.903238 0.094156 0.181896 O\n0.875263 0.700880 0.574633 O\n0.124737 0.299120 0.425367 O\n0.813634 0.041208 0.650648 O\n0.186366 0.958792 0.349352 O\n0.740730 0.686973 0.987030 O\n0.542051 0.542493 0.315771 O\n",
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"elements": [
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],
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"volume": 340.2338762980267,
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"formula_full": "Mg1 Al2 P2 H18 O18",
"formula_reduced": "MgAl2P2(HO)18",
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"energy": -247.87514213,
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"updated_at": "2021-11-28T01:34:28.040000Z",
"spacegroup": 2
},
{
"id": "mp-1222249",
"created_at": "2022-09-04T14:39:23.458375Z",
"structure_string": "Mg2 Al4 P6 N2 O24\n1.0\n6.546278 -6.656779 0.000000\n6.546278 6.656779 0.000000\n0.000000 0.000000 9.200673\nMg Al P N O\n2 4 6 2 24\ndirect\n0.504884 0.244279 0.750000 Mg\n0.755721 0.495116 0.250000 Mg\n0.003025 0.996975 0.500000 Al\n0.244047 0.503833 0.250000 Al\n0.003025 0.996975 0.000000 Al\n0.496167 0.755953 0.750000 Al\n0.008099 0.243919 0.250000 P\n0.756081 0.991901 0.750000 P\n0.489107 0.510893 0.500000 P\n0.246365 0.993190 0.750000 P\n0.489107 0.510893 0.000000 P\n0.006810 0.753635 0.250000 P\n0.499985 0.000110 0.250000 N\n0.999890 0.500015 0.750000 N\n0.151731 0.983466 0.886771 O\n0.483892 0.644587 0.902045 O\n0.137863 0.655716 0.250000 O\n0.850898 0.983649 0.611938 O\n0.483892 0.644587 0.597955 O\n0.869527 0.665467 0.250000 O\n0.850898 0.983649 0.888062 O\n0.490946 0.373628 0.911504 O\n0.872310 0.329680 0.250000 O\n0.151731 0.983466 0.613229 O\n0.490946 0.373628 0.588496 O\n0.141908 0.344543 0.250000 O\n0.016534 0.848269 0.386771 O\n0.355413 0.516108 0.402045 O\n0.344284 0.862137 0.750000 O\n0.016351 0.149102 0.111938 O\n0.355413 0.516108 0.097955 O\n0.334533 0.130473 0.750000 O\n0.016351 0.149102 0.388062 O\n0.626372 0.509054 0.411504 O\n0.670320 0.127690 0.750000 O\n0.016534 0.848269 0.113229 O\n0.626372 0.509054 0.088496 O\n0.655457 0.858092 0.750000 O\n",
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"elements": [
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"P",
"N",
"O"
],
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"density": 1.562175346230183,
"density_atomic": 0.0473887683890049,
"volume": 801.8777717130273,
"volume_molar": 12.707949509397361,
"formula_full": "Mg2 Al4 P6 N2 O24",
"formula_reduced": "MgAl2P3NO12",
"formula_anonymous": "ABC2D3E12",
"energy": -281.07212088,
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"updated_at": "2021-11-28T01:34:40.556000Z",
"spacegroup": 40
},
{
"id": "mp-1210669",
"created_at": "2022-09-04T14:43:22.707921Z",
"structure_string": "Mg4 Al12 Si4 B4 O36\n1.0\n5.816670 0.000000 0.000000\n0.000000 10.434818 0.000000\n0.000000 0.000000 11.101220\nMg Al Si B O\n4 12 4 4 36\ndirect\n0.250000 0.407259 0.281200 Mg\n0.750000 0.592741 0.718800 Mg\n0.750000 0.907259 0.218800 Mg\n0.250000 0.092741 0.781200 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.250000 0.273648 0.052140 Al\n0.750000 0.726352 0.947860 Al\n0.750000 0.773648 0.447860 Al\n0.250000 0.226352 0.552140 Al\n0.250000 0.066105 0.236253 Si\n0.750000 0.933895 0.763747 Si\n0.750000 0.566105 0.263747 Si\n0.250000 0.433895 0.736253 Si\n0.250000 0.748830 0.000486 B\n0.750000 0.251170 0.999514 B\n0.750000 0.248830 0.499514 B\n0.250000 0.751170 0.500486 B\n0.250000 0.225018 0.211609 O\n0.750000 0.774982 0.788391 O\n0.750000 0.725018 0.288391 O\n0.250000 0.274982 0.711609 O\n0.045378 0.680622 0.001496 O\n0.954622 0.319378 0.998504 O\n0.954622 0.180622 0.498504 O\n0.545378 0.319378 0.998504 O\n0.045378 0.819378 0.501496 O\n0.454622 0.680622 0.001496 O\n0.454622 0.819378 0.501496 O\n0.545378 0.180622 0.498504 O\n0.250000 0.453116 0.099666 O\n0.750000 0.546884 0.900334 O\n0.750000 0.953116 0.400334 O\n0.250000 0.046884 0.599666 O\n0.250000 0.381426 0.477699 O\n0.750000 0.618574 0.522301 O\n0.750000 0.881426 0.022301 O\n0.250000 0.118574 0.977699 O\n0.250000 0.621472 0.496373 O\n0.750000 0.378528 0.503627 O\n0.750000 0.121472 0.003627 O\n0.250000 0.878528 0.996373 O\n0.022094 0.007154 0.170385 O\n0.977906 0.992846 0.829615 O\n0.977906 0.507154 0.329615 O\n0.522094 0.992846 0.829615 O\n0.022094 0.492846 0.670385 O\n0.477906 0.007154 0.170385 O\n0.477906 0.492846 0.670385 O\n0.522094 0.507154 0.329615 O\n0.250000 0.026168 0.379573 O\n0.750000 0.973832 0.620427 O\n0.750000 0.526168 0.120427 O\n0.250000 0.473832 0.879573 O\n",
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"volume": 673.7984592475016,
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"formula_full": "Mg4 Al12 Si4 B4 O36",
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"spacegroup": 62
},
{
"id": "mp-1222973",
"created_at": "2022-09-04T14:44:56.184712Z",
"structure_string": "Mg4 Al4 Si2 H8 O18\n1.0\n-5.361167 -0.004111 0.023451\n-2.674233 4.642697 0.015062\n0.004296 -0.035134 -14.121596\nMg Al Si H O\n4 4 2 8 18\ndirect\n0.316825 0.683587 0.263730 Mg\n0.668903 0.334755 0.763020 Mg\n0.988082 0.352769 0.262998 Mg\n0.997898 0.664930 0.762343 Mg\n0.320122 0.345954 0.459547 Al\n0.670899 0.675097 0.959160 Al\n0.644195 0.026354 0.264307 Al\n0.341679 0.991482 0.764182 Al\n0.976970 0.016395 0.461760 Si\n0.013814 0.005004 0.961489 Si\n0.677830 0.317257 0.124983 H\n0.037184 0.284961 0.625298 H\n0.335111 0.304942 0.904411 H\n0.650835 0.721994 0.404899 H\n0.643634 0.019127 0.624629 H\n0.307854 0.700139 0.624586 H\n0.342011 0.995166 0.125032 H\n0.948797 0.732373 0.125686 H\n0.651923 0.711278 0.336128 O\n0.028584 0.998218 0.843346 O\n0.030450 0.298477 0.695328 O\n0.778455 0.326025 0.999505 O\n0.645136 0.000872 0.694496 O\n0.341803 0.330204 0.334985 O\n0.919320 0.776077 0.999285 O\n0.329096 0.689527 0.694237 O\n0.655490 0.327524 0.194561 O\n0.335217 0.309406 0.835552 O\n0.646043 0.689184 0.834556 O\n0.959564 0.021521 0.343718 O\n0.662037 0.100676 0.505493 O\n0.954463 0.717771 0.195657 O\n0.070725 0.247178 0.499510 O\n0.215103 0.696086 0.499351 O\n0.329763 0.918989 0.005350 O\n0.339486 0.015299 0.194984 O\n",
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"formula_full": "Mg4 Al4 Si2 H8 O18",
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"spacegroup": 4
},
{
"id": "mp-1210694",
"created_at": "2022-09-04T14:40:55.411417Z",
"structure_string": "Mg4 Al8 Si4 H4 O28\n1.0\n2.770536 4.788187 0.000000\n-2.770536 4.788187 0.000000\n0.000000 3.555084 17.637647\nMg Al Si H O\n4 8 4 4 28\ndirect\n0.672387 0.167122 0.000469 Mg\n0.327613 0.832878 0.999531 Mg\n0.832878 0.327613 0.499531 Mg\n0.167122 0.672387 0.500469 Mg\n0.902341 0.097659 0.750000 Al\n0.097659 0.902341 0.250000 Al\n0.403250 0.097016 0.750460 Al\n0.596750 0.902984 0.249540 Al\n0.902984 0.596750 0.749540 Al\n0.097016 0.403250 0.250460 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.438410 0.633000 0.656289 Si\n0.561590 0.367000 0.343711 Si\n0.367000 0.561590 0.843711 Si\n0.633000 0.438410 0.156289 Si\n0.765386 0.964799 0.610690 H\n0.234614 0.035201 0.389310 H\n0.035201 0.234614 0.889310 H\n0.964799 0.765386 0.110690 H\n0.541563 0.736269 0.813116 O\n0.458437 0.263731 0.186884 O\n0.263731 0.458437 0.686884 O\n0.736269 0.541563 0.313116 O\n0.705740 0.824604 0.954271 O\n0.294260 0.175396 0.045729 O\n0.175396 0.294260 0.545729 O\n0.824604 0.705740 0.454271 O\n0.470841 0.671803 0.562297 O\n0.529159 0.328197 0.437703 O\n0.328197 0.529159 0.937703 O\n0.671803 0.470841 0.062297 O\n0.542358 0.247631 0.812588 O\n0.457642 0.752369 0.187412 O\n0.752369 0.457642 0.687412 O\n0.247631 0.542358 0.312588 O\n0.264066 0.946584 0.687920 O\n0.735934 0.053416 0.312080 O\n0.053416 0.735934 0.812080 O\n0.946584 0.264066 0.187920 O\n0.753899 0.948571 0.700630 O\n0.246101 0.051429 0.299370 O\n0.051429 0.246101 0.799370 O\n0.948571 0.753899 0.200630 O\n0.780697 0.986521 0.553321 O\n0.219303 0.013479 0.446679 O\n0.013479 0.219303 0.946679 O\n0.986521 0.780697 0.053321 O\n",
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"formula_full": "Mg4 Al8 Si4 H4 O28",
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{
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