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{
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"results": [
{
"id": "mp-1290385",
"created_at": "2022-09-04T14:45:37.665346Z",
"structure_string": "Li4 Mn6 Sn2 O16\n1.0\n-2.943523 1.701505 4.804098\n6.273589 6.943346 4.992742\n-3.080292 5.262549 -0.139320\nLi Mn Sn O\n4 6 2 16\ndirect\n0.446812 0.685845 0.441398 Li\n0.927079 0.185231 0.940488 Li\n0.072907 0.814783 0.059644 Li\n0.553291 0.314227 0.558469 Li\n0.500103 0.999905 0.000373 Mn\n0.000017 0.000096 0.500142 Mn\n0.499906 0.500044 0.999783 Mn\n0.499906 0.999890 0.500327 Mn\n0.000093 0.499913 0.999781 Mn\n0.000048 0.500094 0.499433 Mn\n0.238495 0.249964 0.249673 Sn\n0.761477 0.750050 0.750588 Sn\n0.356642 0.897195 0.392364 O\n0.856186 0.398358 0.886583 O\n0.143686 0.601638 0.113040 O\n0.643215 0.102742 0.608121 O\n0.593469 0.119576 0.123226 O\n0.111072 0.608766 0.664140 O\n0.128804 0.118791 0.595105 O\n0.656315 0.618707 0.095698 O\n0.121441 0.106401 0.161332 O\n0.664479 0.618717 0.623916 O\n0.335755 0.381377 0.375600 O\n0.878536 0.893618 0.838830 O\n0.343755 0.381107 0.904018 O\n0.870966 0.881366 0.405448 O\n0.888985 0.391131 0.335430 O\n0.406560 0.880469 0.877049 O\n",
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"formula_full": "Li4 Mn6 Sn2 O16",
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{
"id": "mp-756305",
"created_at": "2022-09-04T14:45:37.673942Z",
"structure_string": "Na12 Co4 B4 P4 O28\n1.0\n0.084418 0.000054 5.154348\n17.566834 -0.000087 0.344571\n-0.000038 6.883696 0.000044\nNa Co B P O\n12 4 4 4 28\ndirect\n0.769667 0.040330 0.249961 Na\n0.769714 0.540324 0.249959 Na\n0.230432 0.459907 0.750019 Na\n0.230486 0.959832 0.749967 Na\n0.254983 0.133830 0.009646 Na\n0.254909 0.633843 0.009621 Na\n0.255030 0.133847 0.490233 Na\n0.255038 0.633891 0.490237 Na\n0.744682 0.366175 0.509456 Na\n0.744444 0.866220 0.509366 Na\n0.744745 0.366165 0.990582 Na\n0.744456 0.866169 0.990507 Na\n0.780720 0.668945 0.750054 Co\n0.218892 0.331014 0.250004 Co\n0.781049 0.168940 0.750033 Co\n0.218830 0.831020 0.250043 Co\n0.725777 0.034846 0.750001 B\n0.725464 0.534835 0.750011 B\n0.274294 0.465076 0.249982 B\n0.274224 0.965061 0.249998 B\n0.722039 0.209654 0.250018 P\n0.722010 0.709688 0.250019 P\n0.278151 0.290376 0.750003 P\n0.278146 0.790315 0.750023 P\n0.303520 0.040413 0.249974 O\n0.303536 0.540429 0.249978 O\n0.697125 0.459476 0.749990 O\n0.696866 0.959490 0.749956 O\n0.963334 0.071254 0.750091 O\n0.962693 0.571274 0.750267 O\n0.036621 0.428710 0.249999 O\n0.036531 0.928704 0.250122 O\n0.526524 0.091292 0.749972 O\n0.526018 0.591242 0.749790 O\n0.473457 0.408604 0.249966 O\n0.473390 0.908582 0.249913 O\n0.424087 0.233232 0.249964 O\n0.424119 0.733254 0.250021 O\n0.575978 0.266693 0.750073 O\n0.576089 0.766741 0.750091 O\n0.121898 0.216508 0.749953 O\n0.121847 0.716502 0.750004 O\n0.877801 0.283623 0.250067 O\n0.877751 0.783637 0.250050 O\n0.782994 0.159560 0.069151 O\n0.782877 0.659569 0.069159 O\n0.782896 0.159545 0.430870 O\n0.782952 0.659562 0.430846 O\n0.217704 0.340487 0.569091 O\n0.217975 0.840413 0.569060 O\n0.217511 0.340474 0.930907 O\n0.217724 0.840425 0.930933 O\n",
"nsites": 52,
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"elements": [
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"O"
],
"chemical_system": "B-Co-Na-O-P",
"density": 3.0027588102390514,
"density_atomic": 0.08345530858286886,
"volume": 623.0879842516598,
"volume_molar": 7.216006821207996,
"formula_full": "Na12 Co4 B4 P4 O28",
"formula_reduced": "Na3CoBPO7",
"formula_anonymous": "ABCD3E7",
"energy": -352.0701882,
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"updated_at": "2021-11-28T01:37:12.367000Z",
"spacegroup": 11
},
{
"id": "mp-1985644",
"created_at": "2022-09-04T14:45:37.680281Z",
"structure_string": "Gd6 Ga4\n1.0\n0.000000 0.000000 4.373561\n7.715606 0.000000 0.000000\n0.000000 7.715606 0.000000\nGd Ga\n6 4\ndirect\n0.000000 0.326686 0.673314 Gd\n0.000000 0.673314 0.326686 Gd\n0.000000 0.173314 0.173314 Gd\n0.000000 0.826686 0.826686 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.119109 0.880891 Ga\n0.500000 0.880891 0.119109 Ga\n0.500000 0.380891 0.380891 Ga\n0.500000 0.619109 0.619109 Ga\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Ga-Gd",
"density": 7.7962242736048575,
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"volume": 260.36060527036943,
"volume_molar": 15.679282132969627,
"formula_full": "Gd6 Ga4",
"formula_reduced": "Gd3Ga2",
"formula_anonymous": "A2B3",
"energy": -101.66034626,
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"updated_at": "2021-11-28T01:37:17.328000Z",
"spacegroup": 127
},
{
"id": "mp-1180558",
"created_at": "2022-09-04T14:45:37.684334Z",
"structure_string": "Mg2 Hg4 Br12 O12\n1.0\n3.400894 10.038862 0.000000\n-3.400894 10.038862 0.000000\n0.000000 9.520648 10.120496\nMg Hg Br O\n2 4 12 12\ndirect\n0.160740 0.839260 0.250000 Mg\n0.839260 0.160740 0.750000 Mg\n0.233334 0.554691 0.899695 Hg\n0.445309 0.766666 0.600305 Hg\n0.766666 0.445309 0.100305 Hg\n0.554691 0.233334 0.399695 Hg\n0.049169 0.387770 0.411037 Br\n0.612230 0.950831 0.088963 Br\n0.950831 0.612230 0.588963 Br\n0.387770 0.049169 0.911037 Br\n0.743384 0.286216 0.490913 Br\n0.713784 0.256616 0.009087 Br\n0.256616 0.713784 0.509087 Br\n0.286216 0.743384 0.990913 Br\n0.580190 0.922891 0.360376 Br\n0.077109 0.419810 0.139624 Br\n0.419810 0.077109 0.639624 Br\n0.922891 0.580190 0.860376 Br\n0.324924 0.972239 0.081715 O\n0.027761 0.675076 0.418285 O\n0.675076 0.027761 0.918285 O\n0.972239 0.324924 0.581715 O\n0.868837 0.131163 0.250000 O\n0.131163 0.868837 0.750000 O\n0.098770 0.829043 0.133552 O\n0.170957 0.901230 0.366448 O\n0.901230 0.170957 0.866448 O\n0.829043 0.098770 0.633552 O\n0.454014 0.545986 0.250000 O\n0.545986 0.454014 0.750000 O\n",
"nsites": 30,
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"elements": [
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"density": 4.810195770154354,
"density_atomic": 0.04341220861787248,
"volume": 691.0498441594889,
"volume_molar": 13.871998112348352,
"formula_full": "Mg2 Hg4 Br12 O12",
"formula_reduced": "MgHg2(BrO)6",
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"energy": -97.50489301,
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"spacegroup": 15
},
{
"id": "mp-973166",
"created_at": "2022-09-04T14:45:37.684589Z",
"structure_string": "Na2 Cd6\n1.0\n3.238995 -5.610104 0.000000\n3.238995 5.610104 0.000000\n0.000000 0.000000 5.263055\nNa Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.165464 0.330928 0.250000 Cd\n0.669072 0.834536 0.250000 Cd\n0.165464 0.834536 0.250000 Cd\n0.834536 0.669072 0.750000 Cd\n0.330928 0.165464 0.750000 Cd\n0.834536 0.165464 0.750000 Cd\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.254623319325292,
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"volume_molar": 14.39825992568219,
"formula_full": "Na2 Cd6",
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"energy": -8.66295653,
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"updated_at": "2021-11-28T01:37:06.995000Z",
"spacegroup": 194
},
{
"id": "mp-972257",
"created_at": "2022-09-04T14:45:37.762819Z",
"structure_string": "La2 Tb6\n1.0\n3.663857 -6.345986 0.000000\n3.663857 6.345986 0.000000\n0.000000 0.000000 5.814432\nLa Tb\n2 6\ndirect\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n0.834957 0.165043 0.750000 Tb\n0.330086 0.165043 0.750000 Tb\n0.834957 0.669914 0.750000 Tb\n0.165043 0.834957 0.250000 Tb\n0.669914 0.834957 0.250000 Tb\n0.165043 0.330086 0.250000 Tb\n",
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{
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"structure_string": "V1 P6 W3 O24\n1.0\n7.768394 -4.393595 0.000000\n7.768394 4.393595 0.000000\n5.283495 0.000000 7.192796\nV P W O\n1 6 3 24\ndirect\n0.858382 0.858382 0.858382 V\n0.750833 0.035043 0.467884 P\n0.035043 0.467884 0.750833 P\n0.467884 0.750833 0.035043 P\n0.540043 0.246369 0.963242 P\n0.963242 0.540043 0.246369 P\n0.246369 0.963242 0.540043 P\n0.142367 0.142367 0.142367 W\n0.357231 0.357231 0.357231 W\n0.642330 0.642330 0.642330 W\n0.285707 0.131364 0.504077 O\n0.504077 0.285707 0.131364 O\n0.920146 0.063170 0.286055 O\n0.131364 0.504077 0.285707 O\n0.581078 0.212451 0.432451 O\n0.775897 0.008795 0.634435 O\n0.063170 0.286055 0.920146 O\n0.212451 0.432451 0.581078 O\n0.432451 0.581078 0.212451 O\n0.365165 0.221998 0.992311 O\n0.712162 0.080177 0.941062 O\n0.992311 0.365165 0.221998 O\n0.008795 0.634435 0.775897 O\n0.286055 0.920146 0.063170 O\n0.634435 0.775897 0.008795 O\n0.558785 0.423203 0.788805 O\n0.788805 0.558785 0.423203 O\n0.941062 0.712162 0.080177 O\n0.221998 0.992311 0.365165 O\n0.423203 0.788805 0.558785 O\n0.867040 0.490142 0.719799 O\n0.080177 0.941062 0.712162 O\n0.490142 0.719799 0.867040 O\n0.719799 0.867040 0.490142 O\n",
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{
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"structure_string": "Na1 Mg6 Si1 O8\n1.0\n8.442803 0.000000 0.000000\n0.000000 4.342550 0.000000\n0.000000 0.000000 4.342550\nNa Mg Si O\n1 6 1 8\ndirect\n0.500000 0.000000 -0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.258517 -0.000000 0.500000 Mg\n0.741483 0.000000 0.500000 Mg\n0.258517 0.500000 0.000000 Mg\n0.741483 0.500000 -0.000000 Mg\n0.000000 0.000000 -0.000000 Si\n0.218165 0.000000 0.000000 O\n0.781835 0.000000 -0.000000 O\n0.246996 0.500000 0.500000 O\n0.753004 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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{
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"structure_string": "Nb4 Zn2 N8\n1.0\n3.119585 3.119585 4.405854\n3.119585 -3.119585 -4.405854\n-3.119585 3.119585 -4.405854\nNb Zn N\n4 2 8\ndirect\n0.750002 0.500000 0.250002 Nb\n0.249998 0.000000 0.249998 Nb\n0.249998 0.999998 0.750000 Nb\n0.750002 0.000002 0.250000 Nb\n0.500000 0.625000 0.625000 Zn\n0.000000 0.375000 0.875000 Zn\n0.729584 0.239476 0.009894 N\n0.270416 0.780310 0.009893 N\n0.229583 0.759893 0.489476 N\n0.770417 0.759894 0.030310 N\n0.770417 0.760524 0.490107 N\n0.229583 0.219690 0.490106 N\n0.729584 0.240107 0.469690 N\n0.270416 0.240106 0.010524 N\n",
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}