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{
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"results": [
{
"id": "mp-1177976",
"created_at": "2022-09-04T14:39:47.617891Z",
"structure_string": "Li8 Fe4 Co12 O32\n1.0\n8.134410 0.005274 0.007608\n0.005220 8.098510 0.009477\n0.007505 0.009465 8.084136\nLi Fe Co O\n8 4 12 32\ndirect\n0.000150 0.998837 0.001561 Li\n0.250349 0.248184 0.248356 Li\n0.248478 0.749284 0.746952 Li\n0.498388 0.001206 0.502743 Li\n0.498582 0.501772 0.003390 Li\n0.749932 0.247862 0.747713 Li\n0.749949 0.750192 0.245916 Li\n0.001914 0.502413 0.503743 Li\n0.125995 0.875338 0.375049 Fe\n0.374843 0.124255 0.874855 Fe\n0.627589 0.626006 0.627339 Fe\n0.875139 0.375819 0.124987 Fe\n0.124325 0.126507 0.624826 Co\n0.125263 0.376864 0.872576 Co\n0.126221 0.623609 0.124632 Co\n0.372237 0.372994 0.622504 Co\n0.373198 0.622384 0.372418 Co\n0.375806 0.874377 0.125323 Co\n0.621546 0.371812 0.374881 Co\n0.624629 0.124013 0.125861 Co\n0.627694 0.875481 0.877801 Co\n0.874058 0.124337 0.378034 Co\n0.876147 0.878049 0.626305 Co\n0.877717 0.627396 0.876157 Co\n0.108394 0.111975 0.386944 O\n0.112714 0.889290 0.606835 O\n0.113266 0.609949 0.887074 O\n0.136681 0.141651 0.863999 O\n0.112188 0.385120 0.107878 O\n0.137713 0.363232 0.640034 O\n0.141761 0.638330 0.363510 O\n0.138270 0.861551 0.142507 O\n0.359226 0.136723 0.640023 O\n0.359194 0.363182 0.861313 O\n0.361627 0.638923 0.140523 O\n0.380974 0.609574 0.603101 O\n0.361562 0.859277 0.363384 O\n0.386727 0.385299 0.386042 O\n0.389789 0.111860 0.110243 O\n0.390379 0.887002 0.887397 O\n0.607919 0.377676 0.603810 O\n0.605159 0.603463 0.372999 O\n0.610642 0.888426 0.110745 O\n0.638065 0.362155 0.141347 O\n0.613026 0.109803 0.888159 O\n0.638742 0.139019 0.363271 O\n0.641217 0.873767 0.645624 O\n0.641272 0.644732 0.875179 O\n0.859315 0.359967 0.366151 O\n0.861968 0.138490 0.142117 O\n0.863290 0.863087 0.862539 O\n0.888499 0.892369 0.384322 O\n0.868556 0.642279 0.639156 O\n0.890151 0.116292 0.608368 O\n0.890898 0.387918 0.887134 O\n0.890665 0.608769 0.114491 O\n",
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],
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"formula_full": "Li8 Fe4 Co12 O32",
"formula_reduced": "Li2FeCo3O8",
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"updated_at": "2021-11-28T01:34:30.694000Z",
"spacegroup": 5
},
{
"id": "mp-1233034",
"created_at": "2022-09-04T14:39:47.999726Z",
"structure_string": "Ba1 Mg1 Al3 P2 H2 O14\n1.0\n5.118080 3.495823 -3.461651\n-5.115379 3.493825 3.461943\n0.059009 0.000107 7.029827\nBa Mg Al P H O\n1 1 3 2 2 14\ndirect\n0.001898 0.000893 0.001525 Ba\n0.403445 0.403135 0.501538 Mg\n0.992386 0.990671 0.501640 Al\n0.497822 0.001081 0.504396 Al\n0.002253 0.496121 0.498992 Al\n0.296825 0.695610 0.914319 P\n0.697092 0.295294 0.088985 P\n0.308135 0.723019 0.294412 H\n0.722548 0.307082 0.707915 H\n0.376843 0.611021 0.175662 O\n0.612334 0.375515 0.827551 O\n0.147400 0.840685 0.824560 O\n0.842113 0.145994 0.178567 O\n0.149034 0.489203 0.815157 O\n0.506576 0.851260 0.819795 O\n0.490868 0.147419 0.188343 O\n0.852736 0.505054 0.183487 O\n0.292897 0.714810 0.432304 O\n0.716345 0.291155 0.571298 O\n0.749356 0.923230 0.583560 O\n0.092377 0.256465 0.573319 O\n0.924653 0.747866 0.419291 O\n0.258163 0.091279 0.429811 O\n",
"nsites": 23,
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"elements": [
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"H",
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],
"chemical_system": "Al-Ba-H-Mg-O-P",
"density": 3.484244003100701,
"density_atomic": 0.09096535667609176,
"volume": 252.84350922624418,
"volume_molar": 6.620257403533918,
"formula_full": "Ba1 Mg1 Al3 P2 H2 O14",
"formula_reduced": "BaMgAl3P2(HO7)2",
"formula_anonymous": "ABC2D2E3F14",
"energy": -162.87484389,
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"updated_at": "2021-11-28T01:34:36.510000Z",
"spacegroup": 5
},
{
"id": "mp-768460",
"created_at": "2022-09-04T14:39:48.210815Z",
"structure_string": "Li3 Mn6 P6 O24\n1.0\n6.159343 6.107196 0.000000\n-6.159343 6.107196 0.000000\n0.000000 3.080267 5.968022\nLi Mn P O\n3 6 6 24\ndirect\n0.500672 0.500955 0.249350 Li\n0.988351 0.011649 0.000000 Li\n0.499045 0.499328 0.750650 Li\n0.378996 0.065111 0.111805 Mn\n0.735582 0.264418 0.500000 Mn\n0.065500 0.385101 0.603451 Mn\n0.934889 0.621004 0.888195 Mn\n0.270040 0.729960 0.000000 Mn\n0.614899 0.934500 0.396549 Mn\n0.128721 0.347071 0.119080 P\n0.290471 0.709529 0.500000 P\n0.343492 0.128988 0.624831 P\n0.652929 0.871279 0.880920 P\n0.710020 0.289980 0.000000 P\n0.871012 0.656508 0.375169 P\n0.176874 0.175056 0.120259 O\n0.171204 0.732595 0.714212 O\n0.042569 0.407611 0.938672 O\n0.465755 0.724839 0.515153 O\n0.722026 0.529000 0.440328 O\n0.999723 0.330486 0.349237 O\n0.669514 0.000277 0.650763 O\n0.471000 0.277974 0.559672 O\n0.275161 0.534245 0.484847 O\n0.592389 0.957431 0.061328 O\n0.267405 0.828796 0.285788 O\n0.168138 0.177031 0.649722 O\n0.824944 0.823126 0.879741 O\n0.736427 0.168703 0.211465 O\n0.402532 0.044846 0.441130 O\n0.726045 0.465769 0.013515 O\n0.529741 0.720037 0.941954 O\n0.324491 0.995766 0.854330 O\n0.004234 0.675509 0.145670 O\n0.279963 0.470259 0.058046 O\n0.534231 0.273955 0.986485 O\n0.955154 0.597468 0.558870 O\n0.831297 0.263573 0.788535 O\n0.822969 0.831862 0.350278 O\n",
"nsites": 39,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.4035501885531043,
"density_atomic": 0.08686162465907905,
"volume": 448.9899901489305,
"volume_molar": 6.933028001302238,
"formula_full": "Li3 Mn6 P6 O24",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -310.20406555,
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"spacegroup": 5
},
{
"id": "mp-1198790",
"created_at": "2022-09-04T14:39:48.679240Z",
"structure_string": "Nb12 W1 O33\n1.0\n1.935171 11.396639 0.000000\n-1.935171 11.396639 0.000000\n0.000000 10.017241 15.165652\nNb W O\n12 1 33\ndirect\n0.362786 0.371672 0.953737 Nb\n0.628328 0.637214 0.046263 Nb\n0.248554 0.248743 0.861729 Nb\n0.751257 0.751446 0.138271 Nb\n0.136149 0.127377 0.767158 Nb\n0.872623 0.863851 0.232842 Nb\n0.417686 0.417723 0.618710 Nb\n0.582277 0.582314 0.381290 Nb\n0.299080 0.298859 0.526984 Nb\n0.701141 0.700920 0.473016 Nb\n0.465103 0.464752 0.287084 Nb\n0.535248 0.534897 0.712916 Nb\n0.753757 0.246243 0.000000 W\n0.500016 0.499984 0.500000 O\n0.147300 0.150183 0.008343 O\n0.849817 0.852700 0.991657 O\n0.304722 0.304565 0.916879 O\n0.695435 0.695278 0.083121 O\n0.040706 0.031528 0.899780 O\n0.968472 0.959294 0.100220 O\n0.451171 0.450303 0.844606 O\n0.549697 0.548829 0.155394 O\n0.181056 0.181960 0.820900 O\n0.818040 0.818944 0.179100 O\n0.049396 0.048295 0.730021 O\n0.951705 0.950604 0.269979 O\n0.325975 0.325784 0.749951 O\n0.674216 0.674025 0.250049 O\n0.474464 0.474572 0.675393 O\n0.525428 0.525536 0.324607 O\n0.207348 0.208307 0.650742 O\n0.791693 0.792652 0.349258 O\n0.352519 0.352350 0.574792 O\n0.647650 0.647481 0.425208 O\n0.223020 0.223258 0.478452 O\n0.776742 0.776980 0.521548 O\n0.379111 0.379209 0.404898 O\n0.620791 0.620889 0.595102 O\n0.088005 0.087951 0.373015 O\n0.912049 0.911995 0.626985 O\n0.394452 0.391721 0.233990 O\n0.608279 0.605548 0.766010 O\n0.274603 0.275597 0.103489 O\n0.724403 0.725397 0.896511 O\n0.422766 0.435036 0.012402 O\n0.564964 0.577235 0.987598 O\n",
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"volume": 668.9400846505173,
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"formula_full": "Nb12 W1 O33",
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{
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"structure_string": "V3 P4 S12\n1.0\n5.184351 2.966730 0.000000\n-5.184351 2.966730 0.000000\n0.000000 1.968084 13.266832\nV P S\n3 4 12\ndirect\n0.829422 0.170578 0.500000 V\n0.676735 0.323265 0.000000 V\n0.170663 0.829337 0.500000 V\n0.970458 0.971533 0.081904 P\n0.471944 0.471809 0.582073 P\n0.528191 0.528056 0.417927 P\n0.028467 0.029542 0.918096 P\n0.311005 0.004924 0.120003 S\n0.800155 0.460899 0.617227 S\n0.922141 0.272613 0.120535 S\n0.461141 0.799613 0.617796 S\n0.200387 0.538859 0.382204 S\n0.727387 0.077859 0.879465 S\n0.539101 0.199845 0.382773 S\n0.995076 0.688995 0.879997 S\n0.647154 0.612395 0.120588 S\n0.118799 0.118630 0.615088 S\n0.881370 0.881201 0.384912 S\n0.387605 0.352846 0.879412 S\n",
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{
"id": "mp-1214076",
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"structure_string": "Ca2 Al4 Si8 H4 O24\n1.0\n6.684694 7.494935 0.000000\n-6.684694 7.494935 0.000000\n0.000000 2.785155 7.057096\nCa Al Si H O\n2 4 8 4 24\ndirect\n0.353645 0.135951 0.755933 Ca\n0.864049 0.646355 0.244067 Ca\n0.173962 0.570886 0.239063 Al\n0.429114 0.826038 0.760937 Al\n0.787365 0.958136 0.230465 Al\n0.041864 0.212635 0.769535 Al\n0.230859 0.248655 0.344016 Si\n0.751345 0.769141 0.655984 Si\n0.466777 0.016984 0.337417 Si\n0.983016 0.533223 0.662583 Si\n0.308082 0.856982 0.174228 Si\n0.143018 0.691918 0.825772 Si\n0.074514 0.090345 0.177001 Si\n0.909655 0.925486 0.822999 Si\n0.619358 0.623704 0.148509 H\n0.376296 0.380642 0.851491 H\n0.629914 0.143970 0.745711 H\n0.856030 0.370086 0.254289 H\n0.416225 0.886444 0.284999 O\n0.113556 0.583775 0.715001 O\n0.912143 0.068283 0.217575 O\n0.931717 0.087857 0.782425 O\n0.081070 0.626553 0.056797 O\n0.373447 0.918930 0.943203 O\n0.161002 0.943431 0.234610 O\n0.056569 0.838998 0.765390 O\n0.779908 0.803305 0.423044 O\n0.196695 0.220092 0.576956 O\n0.627398 0.043629 0.233017 O\n0.956371 0.372602 0.766983 O\n0.839312 0.861559 0.052409 O\n0.138441 0.160688 0.947591 O\n0.286385 0.693787 0.224677 O\n0.306213 0.713615 0.775323 O\n0.438650 0.982164 0.570422 O\n0.017836 0.561350 0.429578 O\n0.256909 0.409629 0.242947 O\n0.590371 0.743092 0.757053 O\n0.804576 0.900521 0.704582 O\n0.099479 0.195424 0.295418 O\n0.373094 0.158227 0.269475 O\n0.841773 0.626906 0.730525 O\n",
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"formula_full": "Ca2 Al4 Si8 H4 O24",
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{
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"structure_string": "Eu2 B5 Os3\n1.0\n2.037060 5.371937 0.000000\n-2.037060 5.371937 0.000000\n0.000000 4.632772 6.615265\nEu B Os\n2 5 3\ndirect\n0.383288 0.943422 0.235510 Eu\n0.056578 0.616712 0.764490 Eu\n0.725805 0.274195 0.500000 B\n0.072365 0.636384 0.312435 B\n0.524399 0.531690 0.879217 B\n0.363616 0.927635 0.687565 B\n0.468310 0.475601 0.120783 B\n0.867475 0.399264 0.595499 Os\n0.002427 0.997573 0.000000 Os\n0.600736 0.132525 0.404501 Os\n",
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"formula_full": "Eu2 B5 Os3",
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{
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{
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}