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{
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"results": [
{
"id": "mp-780734",
"created_at": "2022-09-04T14:40:41.240067Z",
"structure_string": "Li12 Mn6 Si6 O24\n1.0\n5.044954 0.000209 -0.000088\n0.000360 8.737721 0.000971\n-0.000561 0.001572 11.825464\nLi Mn Si O\n12 6 6 24\ndirect\n0.882516 0.444928 0.586069 Li\n0.382491 0.944896 0.586099 Li\n0.891414 0.218729 0.919391 Li\n0.391428 0.718766 0.919389 Li\n0.226163 0.336304 0.252724 Li\n0.726148 0.836332 0.252743 Li\n0.382462 0.055106 0.080603 Li\n0.882474 0.555075 0.080630 Li\n0.391416 0.281224 0.747247 Li\n0.891402 0.781259 0.747247 Li\n0.726130 0.163686 0.413915 Li\n0.226149 0.663709 0.413933 Li\n0.272734 0.727221 0.166699 Mn\n0.272696 0.272816 0.499911 Mn\n0.953757 0.500026 0.833365 Mn\n0.772797 0.227137 0.166687 Mn\n0.772787 0.772918 0.499927 Mn\n0.453810 0.000029 0.833365 Mn\n0.898507 0.101514 0.666724 Si\n0.398494 0.601567 0.666703 Si\n0.203099 0.000008 0.333314 Si\n0.703108 0.500011 0.333314 Si\n0.398469 0.398422 0.999982 Si\n0.898476 0.898467 0.999959 Si\n0.715929 0.420610 0.967899 O\n0.215901 0.920676 0.967857 O\n0.010993 0.147569 0.301172 O\n0.511060 0.647623 0.301189 O\n0.215932 0.079266 0.698840 O\n0.715956 0.579345 0.698800 O\n0.273227 0.431754 0.634481 O\n0.773276 0.931712 0.634469 O\n0.511091 0.352396 0.365484 O\n0.011025 0.852445 0.365502 O\n0.773202 0.068264 0.032158 O\n0.273161 0.568231 0.032143 O\n0.879042 0.220309 0.558105 O\n0.379092 0.720368 0.558071 O\n0.890985 0.450359 0.224778 O\n0.390973 0.950418 0.224778 O\n0.230048 0.329331 0.891397 O\n0.730041 0.829441 0.891361 O\n0.379027 0.279640 0.108587 O\n0.878971 0.779687 0.108550 O\n0.391009 0.049603 0.441923 O\n0.891022 0.549664 0.441922 O\n0.730056 0.170514 0.775281 O\n0.230060 0.670627 0.775248 O\n",
"nsites": 48,
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"elements": [
"Li",
"Mn",
"Si",
"O"
],
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"density_atomic": 0.09208050035792717,
"volume": 521.2830057766698,
"volume_molar": 6.54008257621458,
"formula_full": "Li12 Mn6 Si6 O24",
"formula_reduced": "Li2MnSiO4",
"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:35:03.827000Z",
"spacegroup": 152
},
{
"id": "mp-1214888",
"created_at": "2022-09-04T14:46:41.889558Z",
"structure_string": "Al1 Zn2 Sb1 H12 O12\n1.0\n2.727496 -4.724162 0.000000\n2.727496 4.724162 0.000000\n0.000000 0.000000 9.901306\nAl Zn Sb H O\n1 2 1 12 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.993955 Zn\n0.333333 0.666667 0.006045 Zn\n0.000000 0.000000 0.500000 Sb\n0.541165 0.871095 0.611375 H\n0.458835 0.128905 0.388625 H\n0.329930 0.458835 0.611375 H\n0.670070 0.541165 0.388625 H\n0.128905 0.670070 0.611375 H\n0.871095 0.329930 0.388625 H\n0.691601 0.714683 0.800303 H\n0.308399 0.285317 0.199697 H\n0.023083 0.308399 0.800303 H\n0.976917 0.691601 0.199697 H\n0.285317 0.976917 0.800303 H\n0.714683 0.023083 0.199697 H\n0.695352 0.697578 0.899060 O\n0.304648 0.302422 0.100940 O\n0.002225 0.304648 0.899060 O\n0.997775 0.695352 0.100940 O\n0.302422 0.997775 0.899060 O\n0.697578 0.002225 0.100940 O\n0.659891 0.780723 0.618903 O\n0.340109 0.219277 0.381097 O\n0.120832 0.340109 0.618903 O\n0.879168 0.659891 0.381097 O\n0.219277 0.879168 0.618903 O\n0.780723 0.120832 0.381097 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Al",
"Zn",
"Sb",
"H",
"O"
],
"chemical_system": "Al-H-O-Sb-Zn",
"density": 3.147507463829184,
"density_atomic": 0.10973537416537764,
"volume": 255.1592885426568,
"volume_molar": 5.487875542233339,
"formula_full": "Al1 Zn2 Sb1 H12 O12",
"formula_reduced": "AlZn2Sb(HO)12",
"formula_anonymous": "ABC2D12E12",
"energy": -155.66829914,
"energy_per_atom": -5.559582112142857,
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"updated_at": "2021-11-28T01:37:42.014000Z",
"spacegroup": 147
},
{
"id": "mp-560715",
"created_at": "2022-09-04T14:43:15.752334Z",
"structure_string": "Sn10 P4 O20\n1.0\n7.289527 0.000000 0.000000\n3.458810 6.455194 0.000000\n0.903896 0.061971 13.204827\nSn P O\n10 4 20\ndirect\n0.994358 0.697268 0.168257 Sn\n0.436859 0.783654 0.140441 Sn\n0.673521 0.305248 0.376412 Sn\n0.005642 0.302732 0.831743 Sn\n0.932431 0.239062 0.131438 Sn\n0.563141 0.216346 0.859559 Sn\n0.193101 0.196797 0.378820 Sn\n0.326479 0.694752 0.623588 Sn\n0.067569 0.760938 0.868562 Sn\n0.806899 0.803203 0.621180 Sn\n0.938334 0.198477 0.603858 P\n0.061666 0.801523 0.396142 P\n0.470877 0.242883 0.122663 P\n0.529123 0.757117 0.877337 P\n0.083241 0.705819 0.506137 O\n0.108142 0.912790 0.146367 O\n0.688204 0.523490 0.887023 O\n0.311796 0.476510 0.112977 O\n0.223122 0.881959 0.378172 O\n0.776878 0.118041 0.621828 O\n0.108476 0.626203 0.319565 O\n0.355581 0.783718 0.805310 O\n0.644419 0.216282 0.194690 O\n0.167604 0.028144 0.612309 O\n0.584772 0.153052 0.019455 O\n0.354498 0.122083 0.166656 O\n0.832396 0.971856 0.387691 O\n0.932052 0.298694 0.287314 O\n0.645502 0.877917 0.833344 O\n0.067948 0.701306 0.712686 O\n0.891524 0.373797 0.680435 O\n0.415228 0.846948 0.980545 O\n0.891858 0.087210 0.853633 O\n0.916759 0.294181 0.493863 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Sn",
"P",
"O"
],
"chemical_system": "O-P-Sn",
"density": 4.358702033772864,
"density_atomic": 0.05471892460588477,
"volume": 621.3572405687128,
"volume_molar": 11.005590485146973,
"formula_full": "Sn10 P4 O20",
"formula_reduced": "Sn5(PO5)2",
"formula_anonymous": "A2B5C10",
"energy": -233.67013832,
"energy_per_atom": -6.872651127058823,
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"updated_at": "2021-11-28T01:36:05.249000Z",
"spacegroup": 2
},
{
"id": "mp-1250779",
"created_at": "2022-09-04T14:44:57.318115Z",
"structure_string": "Al2 Sn6 Se4 Cl2 O16\n1.0\n8.927053 0.009820 -0.001797\n0.005906 7.112148 0.581776\n-0.011444 0.786764 10.659425\nAl Sn Se Cl O\n2 6 4 2 16\ndirect\n0.247049 0.274574 0.250417 Al\n0.747314 0.724943 0.748846 Al\n0.464962 0.987120 0.901680 Sn\n0.518601 0.074984 0.496411 Sn\n0.964196 0.010818 0.100103 Sn\n0.854869 0.114739 0.780815 Sn\n0.355202 0.883810 0.220658 Sn\n0.018619 0.926087 0.504382 Sn\n0.751553 0.415812 0.004201 Se\n0.251244 0.583831 0.994909 Se\n0.696200 0.477365 0.527505 Se\n0.194932 0.522731 0.471769 Se\n0.297329 0.068650 0.682280 Cl\n0.795882 0.938284 0.319911 Cl\n0.158215 0.078909 0.193814 O\n0.330179 0.427358 0.121184 O\n0.639575 0.589426 0.654499 O\n0.683678 0.238819 0.927774 O\n0.279103 0.731661 0.402165 O\n0.026387 0.614029 0.512845 O\n0.658612 0.919441 0.807150 O\n0.914516 0.319246 0.075120 O\n0.779532 0.268505 0.599382 O\n0.184704 0.760569 0.072437 O\n0.387160 0.131097 0.333851 O\n0.887397 0.868553 0.666504 O\n0.414268 0.679037 0.924303 O\n0.528126 0.387147 0.484829 O\n0.830762 0.569353 0.877020 O\n0.139835 0.413102 0.343236 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
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"Sn",
"Se",
"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Sn",
"density": 3.478047562234832,
"density_atomic": 0.044597362101461153,
"volume": 672.68552637146,
"volume_molar": 13.50335642341208,
"formula_full": "Al2 Sn6 Se4 Cl2 O16",
"formula_reduced": "AlSn3Se2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy": -180.0380673,
"energy_per_atom": -6.001268909999999,
"energy_above_hull": null,
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"band_gap": 2.614,
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"updated_at": "2021-11-28T01:36:47.849000Z",
"spacegroup": 4
},
{
"id": "mp-758640",
"created_at": "2022-09-04T14:45:37.505396Z",
"structure_string": "Li4 Cr2 Si8 O20\n1.0\n6.939691 0.000000 0.000000\n-3.409542 6.803820 0.000000\n-2.031492 -3.002889 9.003901\nLi Cr Si O\n4 2 8 20\ndirect\n0.382146 0.251040 0.051897 Li\n0.222918 0.686101 0.571218 Li\n0.777082 0.313899 0.428782 Li\n0.617854 0.748960 0.948103 Li\n0.238263 0.286252 0.429019 Cr\n0.761737 0.713748 0.570981 Cr\n0.242387 0.948101 0.184272 Si\n0.396948 0.650044 0.259111 Si\n0.806965 0.611562 0.238449 Si\n0.902349 0.279055 0.146246 Si\n0.097651 0.720945 0.853754 Si\n0.193035 0.388438 0.761551 Si\n0.603052 0.349956 0.740889 Si\n0.757613 0.051899 0.815728 Si\n0.213198 0.923050 0.005007 O\n0.147644 0.457834 0.143694 O\n0.416818 0.871113 0.251533 O\n0.572771 0.621298 0.177154 O\n0.992150 0.797049 0.194137 O\n0.732924 0.380741 0.126599 O\n0.448328 0.645943 0.427657 O\n0.340978 0.190010 0.257874 O\n0.075555 0.781197 0.704658 O\n0.118104 0.381324 0.591512 O\n0.881896 0.618676 0.408488 O\n0.924445 0.218803 0.295342 O\n0.659022 0.809990 0.742126 O\n0.551672 0.354057 0.572343 O\n0.267076 0.619259 0.873401 O\n0.007850 0.202951 0.805863 O\n0.427229 0.378702 0.822846 O\n0.583182 0.128887 0.748467 O\n0.852356 0.542166 0.856306 O\n0.786802 0.076950 0.994993 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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],
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"density": 2.642087171243199,
"density_atomic": 0.07997518567840892,
"volume": 425.131866985825,
"volume_molar": 7.530011601618339,
"formula_full": "Li4 Cr2 Si8 O20",
"formula_reduced": "Li2Cr(Si2O5)2",
"formula_anonymous": "AB2C4D10",
"energy": -269.10805865000003,
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"updated_at": "2021-11-28T01:37:12.722000Z",
"spacegroup": 2
},
{
"id": "mp-780488",
"created_at": "2022-09-04T14:43:33.144705Z",
"structure_string": "Li4 Cr4 P8 H20 O36\n1.0\n6.777385 0.000000 0.000000\n0.000000 7.764308 0.000000\n0.000000 0.000000 15.115909\nLi Cr P H O\n4 4 8 20 36\ndirect\n0.755903 0.759952 0.059163 Li\n0.255903 0.259952 0.440837 Li\n0.744097 0.759952 0.559163 Li\n0.244097 0.259952 0.940837 Li\n0.063350 0.249734 0.187291 Cr\n0.563350 0.749734 0.312709 Cr\n0.436650 0.249734 0.687291 Cr\n0.936650 0.749734 0.812709 Cr\n0.373589 0.939470 0.138265 P\n0.366717 0.563616 0.138046 P\n0.873589 0.439470 0.361735 P\n0.866717 0.063616 0.361954 P\n0.126411 0.939470 0.638265 P\n0.133283 0.563616 0.638046 P\n0.626411 0.439470 0.861735 P\n0.633283 0.063616 0.861954 P\n0.504480 0.506099 0.006425 H\n0.711252 0.349908 0.088777 H\n0.708653 0.146577 0.088302 H\n0.907091 0.852582 0.210094 H\n0.904868 0.645030 0.208908 H\n0.407091 0.352582 0.289906 H\n0.404868 0.145030 0.291092 H\n0.211252 0.849908 0.411223 H\n0.208653 0.646577 0.411698 H\n0.004480 0.006099 0.493575 H\n0.995520 0.506099 0.506425 H\n0.788748 0.349908 0.588777 H\n0.791347 0.146577 0.588302 H\n0.592909 0.852582 0.710094 H\n0.595132 0.645030 0.708908 H\n0.092909 0.352582 0.789906 H\n0.095132 0.145030 0.791092 H\n0.288748 0.849908 0.911223 H\n0.291347 0.646577 0.911698 H\n0.495520 0.006099 0.993575 H\n0.553033 0.950503 0.074103 O\n0.550964 0.550734 0.072672 O\n0.796763 0.247702 0.088923 O\n0.273708 0.751415 0.119721 O\n0.211882 0.434181 0.111433 O\n0.216087 0.069204 0.113172 O\n0.849499 0.750155 0.180964 O\n0.438191 0.944031 0.235126 O\n0.440587 0.555246 0.232937 O\n0.938191 0.444031 0.264874 O\n0.940587 0.055246 0.267063 O\n0.349499 0.250155 0.319036 O\n0.716087 0.569204 0.386828 O\n0.711882 0.934181 0.388567 O\n0.773708 0.251415 0.380279 O\n0.296763 0.747702 0.411077 O\n0.053033 0.450503 0.425897 O\n0.050964 0.050734 0.427328 O\n0.946967 0.950503 0.574103 O\n0.949036 0.550734 0.572672 O\n0.703237 0.247702 0.588923 O\n0.226292 0.751415 0.619721 O\n0.288118 0.434181 0.611433 O\n0.283913 0.069204 0.613172 O\n0.650501 0.750155 0.680964 O\n0.061809 0.944031 0.735126 O\n0.059413 0.555246 0.732937 O\n0.561809 0.444031 0.764874 O\n0.559413 0.055246 0.767063 O\n0.150501 0.250155 0.819036 O\n0.788118 0.934181 0.888567 O\n0.783913 0.569204 0.886828 O\n0.726292 0.251415 0.880279 O\n0.203237 0.747702 0.911077 O\n0.446967 0.450503 0.925897 O\n0.449036 0.050734 0.927328 O\n",
"nsites": 72,
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"H",
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],
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"density": 2.25394462441809,
"density_atomic": 0.09051765943141968,
"volume": 795.4248977742349,
"volume_molar": 6.653000970007018,
"formula_full": "Li4 Cr4 P8 H20 O36",
"formula_reduced": "LiCrP2H5O9",
"formula_anonymous": "ABC2D5E9",
"energy": -481.82584718,
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"spacegroup": 33
},
{
"id": "mp-555850",
"created_at": "2022-09-04T14:42:49.135254Z",
"structure_string": "Lu2 S2 F2\n1.0\n8.325980 -1.984611 0.000000\n8.325980 1.984611 0.000000\n7.852921 0.000000 3.404740\nLu S F\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.390789 0.390789 0.390789 S\n0.609211 0.609211 0.609211 S\n0.167365 0.167365 0.167365 F\n0.832635 0.832635 0.832635 F\n",
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],
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},
{
"id": "mp-27462",
"created_at": "2022-09-04T14:39:26.517285Z",
"structure_string": "Al2 P2 S8\n1.0\n5.712303 0.000000 0.000000\n0.000000 5.716446 0.000000\n0.000000 0.000000 11.466788\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.197847 0.276435 0.101916 S\n0.197847 0.723565 0.898084 S\n0.802153 0.276435 0.898084 S\n0.802153 0.723565 0.101916 S\n0.776404 0.800507 0.601208 S\n0.776404 0.199493 0.398792 S\n0.223596 0.800507 0.398792 S\n0.223596 0.199493 0.601208 S\n",
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"elements": [
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],
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