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{
"count": 146323,
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"results": [
{
"id": "mp-1196852",
"created_at": "2022-09-04T14:41:16.934462Z",
"structure_string": "Pr4 H40 N4 Cl8 O32\n1.0\n12.155357 0.000000 0.000000\n0.000000 6.603569 0.000000\n-0.664144 0.000000 12.705703\nPr H N Cl O\n4 40 4 8 32\ndirect\n0.500000 0.718303 0.250000 Pr\n0.500000 0.281697 0.750000 Pr\n0.000000 0.256371 0.250000 Pr\n0.000000 0.743629 0.750000 Pr\n0.546131 0.099453 0.102783 H\n0.453869 0.099453 0.397217 H\n0.453869 0.900547 0.897217 H\n0.546131 0.900547 0.602783 H\n0.587928 0.154344 0.217747 H\n0.412072 0.154344 0.282253 H\n0.412072 0.845656 0.782253 H\n0.587928 0.845656 0.717747 H\n0.714587 0.584088 0.126501 H\n0.285413 0.584088 0.373499 H\n0.285413 0.415912 0.873499 H\n0.714587 0.415912 0.626501 H\n0.620148 0.599475 0.037412 H\n0.379852 0.599475 0.462588 H\n0.379852 0.400525 0.962588 H\n0.620148 0.400525 0.537412 H\n0.218026 0.364442 0.137985 H\n0.781974 0.364442 0.362015 H\n0.781974 0.635558 0.862015 H\n0.218026 0.635558 0.637985 H\n0.121951 0.405004 0.050696 H\n0.878049 0.405004 0.449304 H\n0.878049 0.594996 0.949304 H\n0.121951 0.594996 0.550696 H\n0.988387 0.848695 0.127903 H\n0.011613 0.848695 0.372097 H\n0.011613 0.151305 0.872097 H\n0.988387 0.151305 0.627903 H\n0.101898 0.944190 0.092985 H\n0.898102 0.944190 0.407015 H\n0.898102 0.055810 0.907015 H\n0.101898 0.055810 0.592985 H\n0.780798 0.999789 0.230897 H\n0.219202 0.999789 0.269103 H\n0.219202 0.000211 0.769103 H\n0.780798 0.000211 0.730897 H\n0.780463 0.108432 0.120507 H\n0.219537 0.108432 0.379493 H\n0.219537 0.891568 0.879493 H\n0.780463 0.891568 0.620507 H\n0.313582 0.850442 0.087427 N\n0.686418 0.850442 0.412573 N\n0.686418 0.149558 0.912573 N\n0.313582 0.149558 0.587427 N\n0.390887 0.374846 0.147790 Cl\n0.609113 0.374846 0.352210 Cl\n0.609113 0.625154 0.852210 Cl\n0.390887 0.625154 0.647790 Cl\n0.893213 0.561818 0.117656 Cl\n0.106787 0.561818 0.382344 Cl\n0.106787 0.438182 0.882344 Cl\n0.893213 0.438182 0.617656 Cl\n0.409503 0.818982 0.055805 O\n0.590497 0.818982 0.444195 O\n0.590497 0.181018 0.944195 O\n0.409503 0.181018 0.555805 O\n0.233830 0.897947 0.025869 O\n0.766170 0.897947 0.474131 O\n0.766170 0.102053 0.974131 O\n0.233830 0.102053 0.525869 O\n0.300227 0.829903 0.185846 O\n0.699773 0.829903 0.314154 O\n0.699773 0.170097 0.814154 O\n0.300227 0.170097 0.685846 O\n0.576463 0.039385 0.168520 O\n0.423537 0.039385 0.331480 O\n0.423537 0.960615 0.831480 O\n0.576463 0.960615 0.668520 O\n0.633765 0.595833 0.114543 O\n0.366235 0.595833 0.385457 O\n0.366235 0.404167 0.885457 O\n0.633765 0.404167 0.614543 O\n0.136825 0.369640 0.125554 O\n0.863175 0.369640 0.374446 O\n0.863175 0.630360 0.874446 O\n0.136825 0.630360 0.625554 O\n0.033660 0.972552 0.129435 O\n0.966340 0.972552 0.370565 O\n0.966340 0.027448 0.870565 O\n0.033660 0.027448 0.629435 O\n0.819926 0.100677 0.190150 O\n0.180074 0.100677 0.309850 O\n0.180074 0.899323 0.809850 O\n0.819926 0.899323 0.690150 O\n",
"nsites": 88,
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"elements": [
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"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pr",
"density": 2.369954343381587,
"density_atomic": 0.08628544320884038,
"volume": 1019.8707537146191,
"volume_molar": 6.979324131678103,
"formula_full": "Pr4 H40 N4 Cl8 O32",
"formula_reduced": "PrH10N(ClO4)2",
"formula_anonymous": "ABC2D8E10",
"energy": -492.9464454800001,
"energy_per_atom": -5.601664153181819,
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"energy_uncorrected": -466.05044548,
"band_gap": 3.6505,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.951000Z",
"spacegroup": 13
},
{
"id": "mp-30883",
"created_at": "2022-09-04T14:41:16.935572Z",
"structure_string": "V4 Zn5\n1.0\n-4.456015 4.456015 1.591476\n4.456015 -4.456015 1.591476\n4.456015 4.456015 -1.591476\nV Zn\n4 5\ndirect\n0.000000 0.344368 0.344368 V\n0.000000 0.655632 0.655632 V\n0.655632 0.000000 0.655632 V\n0.344368 0.000000 0.344368 V\n0.000000 0.000000 0.000000 Zn\n0.329715 0.329715 0.659430 Zn\n0.670285 0.670285 0.340570 Zn\n0.670285 0.329715 0.000000 Zn\n0.329715 0.670285 0.000000 Zn\n",
"nsites": 9,
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"elements": [
"V",
"Zn"
],
"chemical_system": "V-Zn",
"density": 6.973256469155729,
"density_atomic": 0.07120149888493973,
"volume": 126.40183340162304,
"volume_molar": 8.457884811851596,
"formula_full": "V4 Zn5",
"formula_reduced": "V4Zn5",
"formula_anonymous": "A4B5",
"energy": -43.05185655,
"energy_per_atom": -4.783539616666666,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:25.403000Z",
"spacegroup": 139
},
{
"id": "mp-1271276",
"created_at": "2022-09-04T14:41:16.936447Z",
"structure_string": "Sb4 N4\n1.0\n5.577420 0.000000 0.000000\n0.000000 6.067920 0.000000\n0.000000 0.000000 5.158140\nSb N\n4 4\ndirect\n0.543870 0.805660 0.173610 Sb\n0.456130 0.194340 0.673610 Sb\n0.956130 0.805660 0.673610 Sb\n0.043870 0.194340 0.173610 Sb\n0.609440 0.892420 0.559510 N\n0.390560 0.107580 0.059510 N\n0.890560 0.892420 0.059510 N\n0.109440 0.107580 0.559510 N\n",
"nsites": 8,
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"elements": [
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"N"
],
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"density": 5.165781460938985,
"density_atomic": 0.04582723613952999,
"volume": 174.5686773612625,
"volume_molar": 13.14096434195685,
"formula_full": "Sb4 N4",
"formula_reduced": "SbN",
"formula_anonymous": "AB",
"energy": -48.48897352,
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"band_gap": 1.5567000000000002,
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"total_magnetization": 9.52e-05,
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"updated_at": "2021-11-28T01:35:27.900000Z",
"spacegroup": 29
},
{
"id": "mp-1177363",
"created_at": "2022-09-04T14:41:16.939826Z",
"structure_string": "Li4 Mn3 Sn3 Sb2 O16\n1.0\n3.125249 5.460491 0.000000\n-3.125249 5.460491 0.000000\n0.000000 0.202803 9.951998\nLi Mn Sn Sb O\n4 3 3 2 16\ndirect\n0.661982 0.661982 0.101656 Li\n0.992714 0.992714 0.019799 Li\n0.993967 0.993967 0.505417 Li\n0.326549 0.326549 0.591317 Li\n0.830615 0.830615 0.787687 Mn\n0.173832 0.661805 0.290412 Mn\n0.661805 0.173832 0.290412 Mn\n0.339752 0.831825 0.786960 Sn\n0.831825 0.339752 0.786960 Sn\n0.173334 0.173334 0.286206 Sn\n0.672606 0.672606 0.509085 Sb\n0.342938 0.342938 0.019385 Sb\n0.346022 0.833638 0.410559 O\n0.518999 0.518999 0.653736 O\n0.658858 0.658858 0.897877 O\n0.005556 0.005556 0.691749 O\n0.008880 0.008880 0.201378 O\n0.833638 0.346022 0.410559 O\n0.511511 0.956053 0.650796 O\n0.956053 0.511511 0.650796 O\n0.167318 0.167318 0.901225 O\n0.831774 0.831774 0.414148 O\n0.039208 0.474245 0.141449 O\n0.474245 0.039208 0.141449 O\n0.325675 0.325675 0.396522 O\n0.174776 0.664417 0.905142 O\n0.480946 0.480946 0.144303 O\n0.664417 0.174776 0.905142 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-Sn",
"density": 5.124415498329515,
"density_atomic": 0.08243306255992239,
"volume": 339.669534656027,
"volume_molar": 7.305491962793902,
"formula_full": "Li4 Mn3 Sn3 Sb2 O16",
"formula_reduced": "Li4Mn3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -193.21329157,
"energy_per_atom": -6.900474698928571,
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"updated_at": "2021-11-28T01:35:17.769000Z",
"spacegroup": 8
},
{
"id": "mp-1196750",
"created_at": "2022-09-04T14:41:16.965933Z",
"structure_string": "Pr4 Se8 N4 O52\n1.0\n5.969483 0.000000 0.000000\n0.000000 9.530589 0.000000\n0.000000 0.000000 18.932340\nPr Se N O\n4 8 4 52\ndirect\n0.250000 0.250000 0.943122 Pr\n0.750000 0.750000 0.556878 Pr\n0.750000 0.750000 0.056878 Pr\n0.250000 0.250000 0.443122 Pr\n0.128685 0.031563 0.118587 Se\n0.371315 0.468437 0.118587 Se\n0.628685 0.968437 0.381413 Se\n0.871315 0.531563 0.381413 Se\n0.871315 0.968437 0.881413 Se\n0.628685 0.531563 0.881413 Se\n0.371315 0.031563 0.618587 Se\n0.128685 0.468437 0.618587 Se\n0.750000 0.250000 0.754264 N\n0.250000 0.750000 0.745736 N\n0.250000 0.750000 0.245736 N\n0.750000 0.250000 0.254264 N\n0.331134 0.443342 0.679702 O\n0.168866 0.056658 0.679702 O\n0.831134 0.556658 0.820298 O\n0.668866 0.943342 0.820298 O\n0.668866 0.556658 0.320298 O\n0.831134 0.943342 0.320298 O\n0.168866 0.443342 0.179702 O\n0.331134 0.056658 0.179702 O\n0.568158 0.360080 0.888149 O\n0.931842 0.139920 0.888149 O\n0.068158 0.639920 0.611851 O\n0.431842 0.860080 0.611851 O\n0.431842 0.639920 0.111851 O\n0.068158 0.860080 0.111851 O\n0.931842 0.360080 0.388149 O\n0.568158 0.139920 0.388149 O\n0.892044 0.382781 0.640892 O\n0.607956 0.117219 0.640892 O\n0.392044 0.617219 0.859108 O\n0.107956 0.882781 0.859108 O\n0.107956 0.617219 0.359108 O\n0.392044 0.882781 0.359108 O\n0.607956 0.382781 0.140892 O\n0.892044 0.117219 0.140892 O\n0.219997 0.415580 0.538775 O\n0.280003 0.084420 0.538775 O\n0.719997 0.584420 0.961225 O\n0.780003 0.915580 0.961225 O\n0.780003 0.584420 0.461225 O\n0.719997 0.915580 0.461225 O\n0.280003 0.415580 0.038775 O\n0.219997 0.084420 0.038775 O\n0.250000 0.250000 0.807888 O\n0.750000 0.750000 0.692112 O\n0.750000 0.750000 0.192112 O\n0.250000 0.250000 0.307888 O\n0.116829 0.452923 0.871491 O\n0.383171 0.047077 0.871491 O\n0.616829 0.547077 0.628509 O\n0.883171 0.952923 0.628509 O\n0.883171 0.547077 0.128509 O\n0.616829 0.952923 0.128509 O\n0.383171 0.452923 0.371491 O\n0.116829 0.047077 0.371491 O\n0.826226 0.293073 0.011271 O\n0.673774 0.206927 0.011271 O\n0.326226 0.706927 0.488729 O\n0.173774 0.793073 0.488729 O\n0.173774 0.706927 0.988729 O\n0.326226 0.793073 0.988729 O\n0.673774 0.293073 0.511271 O\n0.826226 0.206927 0.511271 O\n",
"nsites": 68,
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"elements": [
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"density": 3.21174789036002,
"density_atomic": 0.06313179773517828,
"volume": 1077.1117319554653,
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"formula_full": "Pr4 Se8 N4 O52",
"formula_reduced": "PrSe2NO13",
"formula_anonymous": "ABC2D13",
"energy": -342.15254035000004,
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"updated_at": "2021-11-28T01:35:16.360000Z",
"spacegroup": 56
},
{
"id": "mp-865027",
"created_at": "2022-09-04T14:41:16.971500Z",
"structure_string": "Mn3 Ge1\n1.0\n0.000000 2.881892 2.881892\n2.881892 0.000000 2.881892\n2.881892 2.881892 0.000000\nMn Ge\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.236936809178305,
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"volume": 47.869963898939375,
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"formula_full": "Mn3 Ge1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:27.951000Z",
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},
{
"id": "mp-1027848",
"created_at": "2022-09-04T14:41:16.974321Z",
"structure_string": "Sr1 Mg14 Zr1\n1.0\n6.618354 -0.000000 0.000000\n-3.309177 5.731662 -0.000000\n-0.000000 -0.000000 10.299883\nSr Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.168309 0.834154 0.125000 Mg\n0.176426 0.838212 0.625000 Mg\n0.665846 0.331691 0.125000 Mg\n0.661788 0.323574 0.625000 Mg\n0.665846 0.834154 0.125000 Mg\n0.661788 0.838212 0.625000 Mg\n0.336447 0.163553 0.363924 Mg\n0.336447 0.163553 0.886076 Mg\n0.336447 0.672894 0.363924 Mg\n0.336447 0.672894 0.886076 Mg\n0.827106 0.163553 0.363924 Mg\n0.827106 0.163553 0.886076 Mg\n0.833333 0.666667 0.376938 Mg\n0.833333 0.666667 0.873062 Mg\n0.166667 0.333333 0.125000 Zr\n",
"nsites": 16,
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"elements": [
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"formula_full": "Sr1 Mg14 Zr1",
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{
"id": "mp-18673",
"created_at": "2022-09-04T14:41:16.977789Z",
"structure_string": "Cs4 Zn4 P4 O16\n1.0\n5.586520 0.000000 0.000000\n0.000000 9.195286 0.000000\n0.000000 0.000000 9.770192\nCs Zn P O\n4 4 4 16\ndirect\n0.250000 0.487767 0.690603 Cs\n0.750000 0.512233 0.309397 Cs\n0.250000 0.987767 0.809397 Cs\n0.750000 0.012233 0.190603 Cs\n0.250000 0.662419 0.095688 Zn\n0.750000 0.337581 0.904312 Zn\n0.250000 0.162419 0.404312 Zn\n0.750000 0.837581 0.595688 Zn\n0.250000 0.287454 0.072624 P\n0.750000 0.712546 0.927376 P\n0.250000 0.787454 0.427376 P\n0.750000 0.212546 0.572624 P\n0.974522 0.757681 0.012469 O\n0.474522 0.242319 0.987531 O\n0.525478 0.257681 0.487531 O\n0.025478 0.742319 0.512469 O\n0.025478 0.242319 0.987531 O\n0.525478 0.757681 0.012469 O\n0.474522 0.742319 0.512469 O\n0.974522 0.257681 0.487531 O\n0.250000 0.195809 0.205142 O\n0.750000 0.804191 0.794858 O\n0.250000 0.695809 0.294858 O\n0.750000 0.304191 0.705142 O\n0.750000 0.048968 0.605278 O\n0.250000 0.951032 0.394722 O\n0.750000 0.548968 0.894722 O\n0.250000 0.451032 0.105278 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Cs-O-P-Zn",
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"volume": 501.8913351165502,
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"formula_full": "Cs4 Zn4 P4 O16",
"formula_reduced": "CsZnPO4",
"formula_anonymous": "ABCD4",
"energy": -179.3185165,
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"spacegroup": 62
},
{
"id": "mp-1211237",
"created_at": "2022-09-04T14:41:16.987107Z",
"structure_string": "La3 As6 Pd9\n1.0\n0.000000 -4.200237 0.000000\n-8.033803 2.100119 2.639805\n0.009882 0.000000 -10.139213\nLa As Pd\n3 6 9\ndirect\n0.844877 0.689753 0.299315 La\n0.155123 0.310247 0.700685 La\n0.000000 0.000000 0.000000 La\n0.800881 0.601761 0.869781 As\n0.199119 0.398239 0.130219 As\n0.537987 0.075974 0.784214 As\n0.462013 0.924026 0.215786 As\n0.635825 0.271649 0.452020 As\n0.364175 0.728351 0.547980 As\n0.956540 0.913080 0.667443 Pd\n0.043460 0.086920 0.332557 Pd\n0.779589 0.559178 0.608326 Pd\n0.220411 0.440822 0.391674 Pd\n0.376782 0.753564 0.799848 Pd\n0.623218 0.246436 0.200152 Pd\n0.500000 0.000000 0.500000 Pd\n0.680127 0.360254 0.968464 Pd\n0.319873 0.639746 0.031536 Pd\n",
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"elements": [
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],
"chemical_system": "As-La-Pd",
"density": 8.855641140631924,
"density_atomic": 0.05262745758611838,
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"formula_full": "La3 As6 Pd9",
"formula_reduced": "LaAs2Pd3",
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},
{
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"structure_string": "Li1 Hf1 Mg30 O31\n1.0\n8.566948 0.000000 0.000000\n0.000000 8.566948 0.000000\n0.000000 0.000000 8.568461\nLi Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000000 0.993774 Li\n0.500000 0.500000 0.999905 Hf\n0.000000 0.500000 0.999621 Mg\n0.500000 0.000000 0.999621 Mg\n0.000000 0.000000 0.499964 Mg\n0.000000 0.500000 0.500756 Mg\n0.500000 0.000000 0.500756 Mg\n0.500000 0.500000 0.500165 Mg\n0.240435 0.240435 0.000255 Mg\n0.240435 0.759565 0.000255 Mg\n0.759565 0.240435 0.000255 Mg\n0.759565 0.759565 0.000255 Mg\n0.248172 0.248172 0.500128 Mg\n0.248172 0.751828 0.500128 Mg\n0.751828 0.248172 0.500128 Mg\n0.751828 0.751828 0.500128 Mg\n0.000000 0.248279 0.248654 Mg\n0.000000 0.751721 0.248654 Mg\n0.500000 0.244846 0.255063 Mg\n0.500000 0.755154 0.255063 Mg\n0.000000 0.246230 0.751896 Mg\n0.000000 0.753770 0.751896 Mg\n0.500000 0.244345 0.745138 Mg\n0.500000 0.755655 0.745138 Mg\n0.248279 0.000000 0.248654 Mg\n0.244846 0.500000 0.255063 Mg\n0.751721 0.000000 0.248654 Mg\n0.755154 0.500000 0.255063 Mg\n0.246230 0.000000 0.751896 Mg\n0.244345 0.500000 0.745138 Mg\n0.753770 0.000000 0.751896 Mg\n0.755655 0.500000 0.745138 Mg\n0.000000 0.500000 0.250882 O\n0.500000 0.000000 0.250882 O\n0.500000 0.500000 0.252694 O\n0.000000 0.000000 0.743962 O\n0.000000 0.500000 0.749664 O\n0.500000 0.000000 0.749664 O\n0.500000 0.500000 0.747360 O\n0.251839 0.251839 0.249380 O\n0.251839 0.748161 0.249380 O\n0.748161 0.251839 0.249380 O\n0.748161 0.748161 0.249380 O\n0.250781 0.250781 0.750928 O\n0.250781 0.749219 0.750928 O\n0.749219 0.250781 0.750928 O\n0.749219 0.749219 0.750928 O\n0.000000 0.257985 0.999803 O\n0.000000 0.742015 0.999803 O\n0.500000 0.251549 0.000034 O\n0.500000 0.748451 0.000034 O\n0.000000 0.252847 0.501151 O\n0.000000 0.747153 0.501151 O\n0.500000 0.250736 0.500152 O\n0.500000 0.749264 0.500152 O\n0.257985 0.000000 0.999803 O\n0.251549 0.500000 0.000034 O\n0.742015 0.000000 0.999803 O\n0.748451 0.500000 0.000034 O\n0.252847 0.000000 0.501151 O\n0.250736 0.500000 0.500152 O\n0.747153 0.000000 0.501151 O\n0.749264 0.500000 0.500152 O\n",
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],
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"density": 3.724657252282014,
"density_atomic": 0.10018102330078849,
"volume": 628.8616139490377,
"volume_molar": 6.0112589805744205,
"formula_full": "Li1 Hf1 Mg30 O31",
"formula_reduced": "LiHfMg30O31",
"formula_anonymous": "ABC30D31",
"energy": -399.06211988,
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"updated_at": "2021-11-28T01:35:16.237000Z",
"spacegroup": 99
},
{
"id": "mp-1216337",
"created_at": "2022-09-04T14:41:16.989665Z",
"structure_string": "Y3 Mn3 Ga2 Ge1\n1.0\n3.513760 -6.086012 0.000000\n3.513760 6.086012 0.000000\n0.000000 0.000000 4.144456\nY Mn Ga Ge\n3 3 2 1\ndirect\n0.913095 0.665211 0.500000 Y\n0.752116 0.086905 0.500000 Y\n0.334789 0.247884 0.500000 Y\n0.562701 0.663080 0.000000 Mn\n0.100379 0.437299 0.000000 Mn\n0.336920 0.899621 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.000000 Ge\n",
"nsites": 9,
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"elements": [
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"Ge"
],
"chemical_system": "Ga-Ge-Mn-Y",
"density": 6.029407523330967,
"density_atomic": 0.05077384835332019,
"volume": 177.25660535659347,
"volume_molar": 11.860713645524175,
"formula_full": "Y3 Mn3 Ga2 Ge1",
"formula_reduced": "Y3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy": -60.88268379,
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"updated_at": "2021-11-28T01:35:15.412000Z",
"spacegroup": 174
},
{
"id": "mp-1175510",
"created_at": "2022-09-04T14:41:16.464119Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.210760 -0.019657 -2.787926\n-3.055879 9.632900 0.487028\n-0.241662 -0.302505 5.897455\nLi Mn Co O\n9 2 5 16\ndirect\n0.002280 0.004459 0.506409 Li\n0.000000 0.250000 0.250000 Li\n0.997720 0.495541 0.993591 Li\n0.499615 0.002129 0.002110 Li\n0.500000 0.250000 0.750000 Li\n0.500385 0.497871 0.497890 Li\n0.500000 0.750000 0.250000 Li\n0.000000 0.750000 0.750000 Li\n0.000000 0.250000 0.750000 Li\n0.997860 0.004525 0.002998 Mn\n0.002140 0.495475 0.497002 Mn\n0.000000 0.750000 0.250000 Co\n0.510387 0.009121 0.505515 Co\n0.500000 0.250000 0.250000 Co\n0.489613 0.490879 0.994485 Co\n0.500000 0.750000 0.750000 Co\n0.761113 0.877259 0.115187 O\n0.757983 0.114900 0.879081 O\n0.757056 0.378153 0.593229 O\n0.269413 0.870805 0.622336 O\n0.229344 0.114809 0.357116 O\n0.288292 0.375422 0.126827 O\n0.236247 0.614229 0.848684 O\n0.774941 0.623819 0.370303 O\n0.242944 0.121847 0.906771 O\n0.242017 0.385100 0.620919 O\n0.238887 0.622741 0.384813 O\n0.711708 0.124578 0.373173 O\n0.770656 0.385191 0.142884 O\n0.730587 0.629195 0.877664 O\n0.763753 0.885771 0.651316 O\n0.225059 0.876181 0.129697 O\n",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.177797097616579,
"density_atomic": 0.1113548269659941,
"volume": 287.3696710944759,
"volume_molar": 5.408064404643241,
"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.92550954,
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"updated_at": "2021-11-28T01:35:15.351000Z",
"spacegroup": 2
}
]
}