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{
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"results": [
{
"id": "mp-857356",
"created_at": "2022-09-04T14:46:32.703311Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.158470 0.000000 0.000000\n0.000000 10.253691 0.000000\n0.000000 0.000000 13.931720\nLi Mn P O\n8 8 8 32\ndirect\n0.928883 0.030602 0.498283 Li\n0.553188 0.222369 0.249333 Li\n0.553188 0.277631 0.749333 Li\n0.928883 0.469398 0.998283 Li\n0.071117 0.530602 0.498283 Li\n0.446812 0.722369 0.249333 Li\n0.446812 0.777631 0.749333 Li\n0.071117 0.969398 0.998283 Li\n0.059198 0.034362 0.247127 Mn\n0.556681 0.216356 0.998722 Mn\n0.556681 0.283644 0.498722 Mn\n0.059198 0.465638 0.747127 Mn\n0.940802 0.534362 0.247127 Mn\n0.443319 0.716356 0.998722 Mn\n0.443319 0.783644 0.498722 Mn\n0.940802 0.965638 0.747127 Mn\n0.434515 0.031646 0.623811 P\n0.053295 0.216293 0.872489 P\n0.053295 0.283707 0.372489 P\n0.434515 0.468354 0.123811 P\n0.565485 0.531646 0.623811 P\n0.946705 0.716293 0.872489 P\n0.946705 0.783707 0.372489 P\n0.565485 0.968354 0.123811 P\n0.861621 0.997943 0.119216 O\n0.564974 0.973594 0.532291 O\n0.454991 0.034669 0.215807 O\n0.996173 0.067106 0.875259 O\n0.489092 0.180593 0.626595 O\n0.931898 0.221232 0.464161 O\n0.931286 0.275858 0.780312 O\n0.349926 0.244225 0.870994 O\n0.349926 0.255775 0.370994 O\n0.931286 0.224142 0.280312 O\n0.931898 0.278768 0.964161 O\n0.489092 0.319407 0.126595 O\n0.996173 0.432894 0.375259 O\n0.454991 0.465331 0.715807 O\n0.564974 0.526406 0.032291 O\n0.861621 0.502057 0.619216 O\n0.138379 0.497943 0.119216 O\n0.435026 0.473594 0.532291 O\n0.545009 0.534669 0.215807 O\n0.003827 0.567106 0.875259 O\n0.510908 0.680593 0.626595 O\n0.068102 0.721232 0.464161 O\n0.068714 0.775858 0.780312 O\n0.650074 0.744225 0.870994 O\n0.650074 0.755775 0.370994 O\n0.068714 0.724142 0.280312 O\n0.068102 0.778768 0.964161 O\n0.510908 0.819407 0.126595 O\n0.003827 0.932894 0.375259 O\n0.545009 0.965331 0.715807 O\n0.435026 0.026406 0.032291 O\n0.138379 0.002057 0.619216 O\n",
"nsites": 56,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
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"density_atomic": 0.07599449875086349,
"volume": 736.8954453346361,
"volume_molar": 7.924443030728685,
"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -437.07809417,
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"updated_at": "2021-11-28T01:37:32.412000Z",
"spacegroup": 29
},
{
"id": "mp-753254",
"created_at": "2022-09-04T14:46:32.706766Z",
"structure_string": "Li2 Cr2 Si6 O16\n1.0\n4.285426 6.568713 -0.028406\n-3.345398 6.288189 0.210137\n-3.203190 -0.421264 6.369712\nLi Cr Si O\n2 2 6 16\ndirect\n0.809366 0.825198 0.807107 Li\n0.190631 0.174803 0.192937 Li\n0.212004 0.738100 0.133567 Cr\n0.788021 0.261876 0.866404 Cr\n0.211291 0.548268 0.736989 Si\n0.453518 0.728421 0.618878 Si\n0.176581 0.140136 0.741417 Si\n0.823426 0.859861 0.258576 Si\n0.546474 0.271589 0.381117 Si\n0.788719 0.451721 0.263016 Si\n0.116615 0.684851 0.874363 O\n0.370129 0.924179 0.721929 O\n0.035574 0.700812 0.487612 O\n0.306314 0.841535 0.365159 O\n0.110670 0.065782 0.927833 O\n0.442725 0.514478 0.755078 O\n0.273190 0.285472 0.815275 O\n0.715755 0.579373 0.707370 O\n0.284222 0.420665 0.292611 O\n0.726810 0.714525 0.184734 O\n0.557281 0.485521 0.244918 O\n0.889334 0.934236 0.072154 O\n0.693670 0.158475 0.634844 O\n0.964418 0.299165 0.512399 O\n0.629880 0.075804 0.278091 O\n0.883383 0.315157 0.125624 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.9339828196157645,
"density_atomic": 0.08469934891569984,
"volume": 306.96812115849275,
"volume_molar": 7.110020132496837,
"formula_full": "Li2 Cr2 Si6 O16",
"formula_reduced": "LiCrSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -210.97100919000005,
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"updated_at": "2021-11-28T01:37:32.487000Z",
"spacegroup": 2
},
{
"id": "mp-1028060",
"created_at": "2022-09-04T14:46:32.712430Z",
"structure_string": "Rb1 Y1 Mg14\n1.0\n6.657939 -0.015916 0.000000\n-3.342753 5.789817 0.000000\n0.000000 0.000000 10.650974\nRb Y Mg\n1 1 14\ndirect\n0.165415 0.832707 0.125000 Rb\n0.176290 0.338144 0.125000 Y\n0.163812 0.331905 0.625000 Mg\n0.166497 0.833248 0.625000 Mg\n0.663717 0.328990 0.125000 Mg\n0.668331 0.333644 0.625000 Mg\n0.663717 0.834726 0.125000 Mg\n0.668331 0.834686 0.625000 Mg\n0.339778 0.178823 0.389976 Mg\n0.339778 0.178823 0.860024 Mg\n0.339778 0.660956 0.389976 Mg\n0.339778 0.660956 0.860024 Mg\n0.832993 0.166497 0.375778 Mg\n0.832993 0.166497 0.874222 Mg\n0.819396 0.659699 0.386565 Mg\n0.819396 0.659699 0.863435 Mg\n",
"nsites": 16,
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"elements": [
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"Y",
"Mg"
],
"chemical_system": "Mg-Rb-Y",
"density": 2.0843063811441085,
"density_atomic": 0.03902346462389261,
"volume": 410.0097250258963,
"volume_molar": 15.432101731717761,
"formula_full": "Rb1 Y1 Mg14",
"formula_reduced": "RbYMg14",
"formula_anonymous": "ABC14",
"energy": -27.63819707,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.495000Z",
"spacegroup": 38
},
{
"id": "mp-982974",
"created_at": "2022-09-04T14:46:32.722214Z",
"structure_string": "Li1 Be1 Au2\n1.0\n0.000000 3.014056 3.014056\n3.014056 0.000000 3.014056\n3.014056 3.014056 0.000000\nLi Be Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
"Li",
"Be",
"Au"
],
"chemical_system": "Au-Be-Li",
"density": 12.428782111951941,
"density_atomic": 0.0730425698319578,
"volume": 54.76258583456778,
"volume_molar": 8.244700006933732,
"formula_full": "Li1 Be1 Au2",
"formula_reduced": "LiBeAu2",
"formula_anonymous": "ABC2",
"energy": -13.52976263,
"energy_per_atom": -3.3824406575,
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"updated_at": "2021-11-28T01:37:34.897000Z",
"spacegroup": 225
},
{
"id": "mp-1018071",
"created_at": "2022-09-04T14:46:32.724308Z",
"structure_string": "Mn1 Fe2 Ge1\n1.0\n0.000000 2.849371 2.849371\n2.849371 0.000000 2.849371\n2.849371 2.849371 0.000000\nMn Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Mn",
"density": 8.587303319664906,
"density_atomic": 0.08645358281371603,
"volume": 46.267602449963384,
"volume_molar": 6.965750364535008,
"formula_full": "Mn1 Fe2 Ge1",
"formula_reduced": "MnFe2Ge",
"formula_anonymous": "ABC2",
"energy": -31.16514644,
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"spacegroup": 225
},
{
"id": "mp-21266",
"created_at": "2022-09-04T14:46:32.730451Z",
"structure_string": "B3 P3 Pb3 O15\n1.0\n3.507115 -6.074502 0.000000\n3.507115 6.074502 0.000000\n0.000000 0.000000 6.938558\nB P Pb O\n3 3 3 15\ndirect\n0.098142 0.098142 0.000000 B\n0.000000 0.901858 0.666667 B\n0.901858 0.000000 0.333333 B\n0.600023 0.600023 0.500000 P\n0.000000 0.399977 0.166667 P\n0.399977 0.000000 0.833333 P\n0.610534 0.610534 0.000000 Pb\n0.000000 0.389466 0.666667 Pb\n0.389466 0.000000 0.333333 Pb\n0.860993 0.442573 0.024490 O\n0.557427 0.418420 0.357823 O\n0.581580 0.139007 0.691157 O\n0.957432 0.000000 0.833333 O\n0.000000 0.957432 0.166667 O\n0.042568 0.042568 0.500000 O\n0.331475 0.145766 0.962008 O\n0.854234 0.185709 0.295342 O\n0.814291 0.668525 0.628675 O\n0.185709 0.854234 0.704658 O\n0.668525 0.814291 0.371325 O\n0.145766 0.331475 0.037992 O\n0.442573 0.860993 0.975510 O\n0.139007 0.581580 0.308843 O\n0.418420 0.557427 0.642177 O\n",
"nsites": 24,
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"elements": [
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"Pb",
"O"
],
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"volume": 295.63776122450867,
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"formula_full": "B3 P3 Pb3 O15",
"formula_reduced": "BPPbO5",
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"energy": -182.76072598,
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"updated_at": "2021-11-28T01:37:42.559000Z",
"spacegroup": 152
},
{
"id": "mp-721047",
"created_at": "2022-09-04T14:46:32.735995Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.427070 0.000000 0.000000\n-2.272245 6.106556 0.000000\n-1.174432 -0.818561 8.471883\nCa H Cl O\n2 16 4 8\ndirect\n0.988385 0.123042 0.255981 Ca\n0.011615 0.876958 0.744019 Ca\n0.811362 0.673864 0.077044 H\n0.188638 0.326136 0.922956 H\n0.651575 0.793382 0.009955 H\n0.348425 0.206618 0.990045 H\n0.441548 0.077811 0.322890 H\n0.558452 0.922189 0.677110 H\n0.298175 0.899485 0.180674 H\n0.701825 0.100515 0.819326 H\n0.406772 0.546186 0.341208 H\n0.593228 0.453814 0.658792 H\n0.298038 0.537492 0.165117 H\n0.701962 0.462508 0.834883 H\n0.757017 0.401914 0.403960 H\n0.242983 0.598086 0.596040 H\n0.768590 0.223026 0.521505 H\n0.231410 0.776974 0.478495 H\n0.704216 0.290565 0.045299 Cl\n0.295784 0.709435 0.954701 Cl\n0.771292 0.742410 0.420868 Cl\n0.228708 0.257590 0.579132 Cl\n0.813062 0.818267 0.045775 O\n0.186938 0.181733 0.954225 O\n0.286725 0.977162 0.278388 O\n0.713275 0.022838 0.721612 O\n0.269504 0.470566 0.265135 O\n0.730496 0.529434 0.734865 O\n0.739468 0.244670 0.408892 O\n0.260532 0.755329 0.591108 O\n",
"nsites": 30,
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"elements": [
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"H",
"Cl",
"O"
],
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"density": 1.8283019591601481,
"density_atomic": 0.0902260471651834,
"volume": 332.4982191126783,
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"formula_full": "Ca2 H16 Cl4 O8",
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"energy": -152.31687285,
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"spacegroup": 2
},
{
"id": "mp-862941",
"created_at": "2022-09-04T14:46:32.741460Z",
"structure_string": "Pm1 Mg1 Rh2\n1.0\n0.000000 3.343195 3.343195\n3.343195 0.000000 3.343195\n3.343195 3.343195 0.000000\nPm Mg Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"Mg",
"Rh"
],
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"density": 8.334884090488146,
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"volume": 74.73346548605029,
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"formula_full": "Pm1 Mg1 Rh2",
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"spacegroup": 225
},
{
"id": "mp-758971",
"created_at": "2022-09-04T14:46:32.746583Z",
"structure_string": "Li3 Fe5 P6 O24\n1.0\n7.959093 0.000000 0.000000\n-2.674564 7.965179 0.000000\n-2.991387 -3.458975 7.583682\nLi Fe P O\n3 5 6 24\ndirect\n0.318537 0.800737 0.299867 Li\n0.706158 0.055981 0.003193 Li\n0.064834 0.236351 0.525964 Li\n0.823684 0.283188 0.843188 Fe\n0.553008 0.591869 0.238432 Fe\n0.227069 0.984980 0.037344 Fe\n0.495001 0.473397 0.681281 Fe\n0.997655 0.687692 0.450461 Fe\n0.844984 0.746104 0.075841 P\n0.655666 0.283636 0.410494 P\n0.729378 0.841017 0.611300 P\n0.345449 0.098397 0.749883 P\n0.244740 0.606336 0.885485 P\n0.143102 0.400705 0.258186 P\n0.902987 0.803004 0.601322 O\n0.627342 0.339295 0.580954 O\n0.824396 0.704860 0.238160 O\n0.708602 0.453075 0.355379 O\n0.812298 0.043872 0.734435 O\n0.450291 0.123133 0.258391 O\n0.728510 0.549394 0.918214 O\n0.814124 0.220117 0.439017 O\n0.270783 0.108309 0.891688 O\n0.310452 0.235272 0.673309 O\n0.584016 0.804207 0.421057 O\n0.406839 0.670776 0.074302 O\n0.205185 0.772800 0.875876 O\n0.941354 0.279970 0.085348 O\n0.572303 0.155270 0.845362 O\n0.248262 0.906933 0.594567 O\n0.309283 0.418177 0.200073 O\n0.761534 0.876309 0.046734 O\n0.309197 0.550482 0.744247 O\n0.050787 0.444938 0.845840 O\n0.612287 0.705891 0.668143 O\n0.073403 0.830076 0.128170 O\n0.142864 0.591801 0.335973 O\n0.183639 0.321652 0.394673 O\n",
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"elements": [
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],
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"formula_full": "Li3 Fe5 P6 O24",
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"spacegroup": 1
},
{
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{
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"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n-5.140440 -1.537224 2.518739\n-3.455036 -4.113077 -2.515208\n5.145996 -1.541027 2.515115\nLi Cr Ni O\n4 3 1 8\ndirect\n0.500002 0.499959 0.500031 Li\n0.000059 0.999950 0.500006 Li\n0.000092 0.500074 0.000127 Li\n0.500134 0.999974 0.000068 Li\n0.999768 0.499958 0.500039 Cr\n0.499795 0.499950 0.999671 Cr\n0.499931 0.999967 0.499978 Cr\n0.000083 0.000134 0.999993 Ni\n0.742897 0.742441 0.257547 O\n0.257108 0.257531 0.742465 O\n0.241411 0.239250 0.256056 O\n0.241397 0.744027 0.760780 O\n0.735691 0.246815 0.753142 O\n0.758632 0.760837 0.744087 O\n0.758613 0.255991 0.239189 O\n0.264383 0.753137 0.246823 O\n",
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"formula_full": "Li4 Cr3 Ni1 O8",
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"updated_at": "2021-11-28T01:37:31.652000Z",
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{
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"updated_at": "2021-11-28T01:37:41.217000Z",
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]
}