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{
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"results": [
{
"id": "mp-1193134",
"created_at": "2022-09-04T14:42:52.550811Z",
"structure_string": "Gd4 Mo4 Br4 O16\n1.0\n6.975854 0.000000 0.000000\n-0.300309 7.372615 0.000000\n-3.299484 -3.283296 10.197454\nGd Mo Br O\n4 4 4 16\ndirect\n0.641999 0.123610 0.730130 Gd\n0.358001 0.876390 0.269870 Gd\n0.394868 0.647322 0.769291 Gd\n0.605132 0.352678 0.230709 Gd\n0.736083 0.815687 0.134116 Mo\n0.263917 0.184313 0.865884 Mo\n0.774663 0.591028 0.630851 Mo\n0.225337 0.408972 0.369149 Mo\n0.258104 0.982087 0.516377 Br\n0.741896 0.017913 0.483623 Br\n0.197071 0.716862 0.981475 Br\n0.802929 0.283138 0.018525 Br\n0.673521 0.727865 0.960672 O\n0.326479 0.272135 0.039328 O\n0.003273 0.865431 0.206936 O\n0.996727 0.134569 0.793064 O\n0.625587 0.654604 0.200478 O\n0.374413 0.345396 0.799522 O\n0.389019 0.976613 0.818141 O\n0.610981 0.023387 0.181859 O\n0.042141 0.637224 0.677341 O\n0.957859 0.362776 0.322659 O\n0.698896 0.422888 0.703239 O\n0.301104 0.577112 0.296761 O\n0.678345 0.505821 0.455879 O\n0.321655 0.494179 0.544121 O\n0.659848 0.797365 0.700629 O\n0.340152 0.202635 0.299371 O\n",
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],
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"density": 5.029086389796394,
"density_atomic": 0.053388453195217886,
"volume": 524.4579740419979,
"volume_molar": 11.279856222804778,
"formula_full": "Gd4 Mo4 Br4 O16",
"formula_reduced": "GdMoBrO4",
"formula_anonymous": "ABCD4",
"energy": -257.59521322,
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"updated_at": "2021-11-28T01:35:54.254000Z",
"spacegroup": 2
},
{
"id": "mp-756547",
"created_at": "2022-09-04T14:42:52.583956Z",
"structure_string": "Li4 Cr5 Co3 O16\n1.0\n2.871622 4.929826 0.000000\n-2.871622 4.929826 0.000000\n0.000000 0.024390 9.312962\nLi Cr Co O\n4 5 3 16\ndirect\n0.329772 0.329772 0.109949 Li\n0.006864 0.006864 0.004037 Li\n0.005918 0.005918 0.501701 Li\n0.664479 0.664479 0.604895 Li\n0.171103 0.656051 0.787556 Cr\n0.332287 0.332287 0.507756 Cr\n0.656051 0.171103 0.787556 Cr\n0.828223 0.828223 0.288624 Cr\n0.665026 0.665026 0.012897 Cr\n0.172400 0.172400 0.786650 Co\n0.341068 0.830851 0.287411 Co\n0.830851 0.341068 0.287411 Co\n0.165117 0.666790 0.398130 O\n0.477982 0.477982 0.658383 O\n0.332825 0.332825 0.900183 O\n0.002182 0.002182 0.693183 O\n0.002287 0.002287 0.194004 O\n0.666790 0.165117 0.398130 O\n0.041767 0.477765 0.657775 O\n0.477765 0.041767 0.657775 O\n0.832870 0.832870 0.898137 O\n0.168894 0.168894 0.395694 O\n0.520338 0.956007 0.159072 O\n0.956007 0.520338 0.159072 O\n0.663550 0.663550 0.395546 O\n0.334438 0.831009 0.897552 O\n0.520546 0.520546 0.164346 O\n0.831009 0.334438 0.897552 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.537610134874518,
"density_atomic": 0.10618944279377372,
"volume": 263.67969605394467,
"volume_molar": 5.671129447110254,
"formula_full": "Li4 Cr5 Co3 O16",
"formula_reduced": "Li4Cr5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy": -210.50868084,
"energy_per_atom": -7.518167172857143,
"energy_above_hull": null,
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"energy_uncorrected": -184.60768084,
"band_gap": 0.0215999999999998,
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"updated_at": "2021-11-28T01:35:48.993000Z",
"spacegroup": 8
},
{
"id": "mp-1031981",
"created_at": "2022-09-04T14:43:00.044789Z",
"structure_string": "Mg6 Nb1 Co1 O8\n1.0\n8.755915 0.000000 0.000000\n0.000000 4.283752 0.000000\n0.000000 0.000000 4.283752\nMg Nb Co O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255241 0.000000 0.500000 Mg\n0.744759 0.000000 0.500000 Mg\n0.255241 0.500000 0.000000 Mg\n0.744759 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.261465 0.000000 0.000000 O\n0.738535 0.000000 0.000000 O\n0.257514 0.500000 0.500000 O\n0.742486 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",
"nsites": 16,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Mg-Nb-O",
"density": 4.399128344401964,
"density_atomic": 0.09957946882665876,
"volume": 160.67569137019322,
"volume_molar": 6.04757268838513,
"formula_full": "Mg6 Nb1 Co1 O8",
"formula_reduced": "Mg6NbCoO8",
"formula_anonymous": "ABC6D8",
"energy": -107.77808904,
"energy_per_atom": -6.736130565,
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"energy_uncorrected": -100.64408904,
"band_gap": 1.1319,
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"updated_at": "2021-11-28T01:36:05.802000Z",
"spacegroup": 123
},
{
"id": "mp-1225411",
"created_at": "2022-09-04T14:43:04.838178Z",
"structure_string": "Eu2 Al1 P3 Pt7\n1.0\n-2.041372 2.041372 13.586404\n2.041372 -2.041372 13.586404\n2.041372 2.041372 -13.586404\nEu Al P Pt\n2 1 3 7\ndirect\n0.665404 0.665404 0.000000 Eu\n0.334596 0.334596 0.000000 Eu\n0.500000 0.500000 0.000000 Al\n0.880017 0.880017 0.000000 P\n0.119983 0.119983 0.000000 P\n0.750000 0.250000 0.500000 P\n0.428451 0.928451 0.500000 Pt\n0.929889 0.429889 0.500000 Pt\n0.570111 0.070111 0.500000 Pt\n0.071549 0.571549 0.500000 Pt\n0.792923 0.792923 0.000000 Pt\n0.207077 0.207077 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Eu",
"Al",
"P",
"Pt"
],
"chemical_system": "Al-Eu-P-Pt",
"density": 13.120557121144762,
"density_atomic": 0.05740299196950647,
"volume": 226.46903156033818,
"volume_molar": 10.490987583363376,
"formula_full": "Eu2 Al1 P3 Pt7",
"formula_reduced": "Eu2AlP3Pt7",
"formula_anonymous": "AB2C3D7",
"energy": -95.11842209,
"energy_per_atom": -7.316801699230769,
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"energy_uncorrected": -95.11842209,
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"updated_at": "2021-11-28T01:36:00.929000Z",
"spacegroup": 119
},
{
"id": "mp-1228769",
"created_at": "2022-09-04T14:43:00.091720Z",
"structure_string": "Ca4 Al8 Si8 O48\n1.0\n10.643716 0.000000 0.000000\n0.000000 9.360247 0.000000\n0.000000 0.078748 10.262576\nCa Al Si O\n4 8 8 48\ndirect\n0.079073 0.259349 0.263798 Ca\n0.579073 0.740651 0.236202 Ca\n0.920927 0.740651 0.736202 Ca\n0.420927 0.259349 0.763798 Ca\n0.128839 0.920275 0.164192 Al\n0.628839 0.079725 0.335808 Al\n0.871161 0.079725 0.835808 Al\n0.371161 0.920275 0.664192 Al\n0.843016 0.423981 0.142830 Al\n0.343016 0.576019 0.357170 Al\n0.156984 0.576019 0.857170 Al\n0.656984 0.423981 0.642830 Al\n0.857181 0.078876 0.155009 Si\n0.357181 0.921124 0.344991 Si\n0.142819 0.921124 0.844991 Si\n0.642819 0.078876 0.655009 Si\n0.116365 0.580916 0.173975 Si\n0.616365 0.419084 0.326025 Si\n0.883635 0.419084 0.826025 Si\n0.383635 0.580916 0.673975 Si\n0.164822 0.563198 0.025179 O\n0.664822 0.436802 0.474821 O\n0.835178 0.436802 0.974821 O\n0.335178 0.563198 0.525179 O\n0.991379 0.481023 0.199802 O\n0.491379 0.518977 0.300198 O\n0.008621 0.518977 0.800198 O\n0.508621 0.481023 0.699802 O\n0.364248 0.752173 0.299481 O\n0.864248 0.247827 0.200519 O\n0.635752 0.247827 0.700519 O\n0.135752 0.752173 0.799481 O\n0.001672 0.035548 0.201482 O\n0.501672 0.964452 0.298518 O\n0.998328 0.964452 0.798518 O\n0.498328 0.035548 0.701482 O\n0.215355 0.496061 0.274308 O\n0.715355 0.503939 0.225692 O\n0.784645 0.503939 0.725692 O\n0.284645 0.496061 0.774308 O\n0.161616 0.364507 0.534260 O\n0.661616 0.635493 0.965740 O\n0.838384 0.635493 0.465740 O\n0.338384 0.364507 0.034260 O\n0.163294 0.940124 0.999192 O\n0.663294 0.059876 0.500808 O\n0.836706 0.059876 0.000808 O\n0.336706 0.940124 0.499192 O\n0.089961 0.745712 0.210140 O\n0.589961 0.254288 0.289860 O\n0.910039 0.254288 0.789860 O\n0.410039 0.745712 0.710140 O\n0.246774 0.002505 0.261675 O\n0.746774 0.997495 0.238325 O\n0.753226 0.997495 0.738325 O\n0.253226 0.002505 0.761675 O\n0.005012 0.758233 0.468508 O\n0.505012 0.241767 0.031492 O\n0.994988 0.241767 0.531492 O\n0.494988 0.758233 0.968508 O\n0.053017 0.133678 0.495101 O\n0.553017 0.866322 0.004899 O\n0.946983 0.866322 0.504899 O\n0.446983 0.133678 0.995101 O\n0.274938 0.261693 0.995444 O\n0.774938 0.738307 0.504556 O\n0.725062 0.738307 0.004556 O\n0.225062 0.261693 0.495444 O\n",
"nsites": 68,
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"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 2.2230964760719547,
"density_atomic": 0.0665077015483463,
"volume": 1022.4379796160736,
"volume_molar": 9.054802105320597,
"formula_full": "Ca4 Al8 Si8 O48",
"formula_reduced": "CaAl2(SiO6)2",
"formula_anonymous": "AB2C2D12",
"energy": -475.45833703,
"energy_per_atom": -6.992034368088235,
"energy_above_hull": null,
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"energy_uncorrected": -467.73033703,
"band_gap": 0.2969999999999999,
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"updated_at": "2021-11-28T01:35:56.656000Z",
"spacegroup": 14
},
{
"id": "mp-1174588",
"created_at": "2022-09-04T14:43:04.839235Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.458019 16.980834 0.000000\n-1.458019 16.980834 0.000000\n0.000000 0.410471 5.194758\nLi Mn Co O\n8 2 4 14\ndirect\n0.711854 0.711854 0.429600 Li\n0.139705 0.139705 0.286937 Li\n0.569217 0.569217 0.140276 Li\n0.000000 0.000000 0.000000 Li\n0.430783 0.430783 0.859724 Li\n0.288146 0.288146 0.570400 Li\n0.860295 0.860295 0.713063 Li\n0.500000 0.500000 0.500000 Li\n0.212790 0.212790 0.923245 Mn\n0.787210 0.787210 0.076755 Mn\n0.639485 0.639485 0.779863 Co\n0.066131 0.066131 0.627464 Co\n0.933869 0.933869 0.372536 Co\n0.360515 0.360515 0.220137 Co\n0.746866 0.746866 0.775642 O\n0.177941 0.177941 0.624017 O\n0.606384 0.606384 0.484397 O\n0.037486 0.037486 0.340695 O\n0.460903 0.460903 0.185313 O\n0.318006 0.318006 0.908658 O\n0.888986 0.888986 0.049651 O\n0.681994 0.681994 0.091342 O\n0.111014 0.111014 0.950349 O\n0.539097 0.539097 0.814687 O\n0.962514 0.962514 0.659305 O\n0.393616 0.393616 0.515603 O\n0.253134 0.253134 0.224358 O\n0.822059 0.822059 0.375983 O\n",
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"elements": [
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],
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"density": 4.035532596034007,
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"volume": 257.22757068027374,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -181.5280318,
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"energy_above_hull": null,
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},
{
"id": "mp-1233533",
"created_at": "2022-09-04T14:42:52.780514Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n-0.066353 -5.712969 -0.405425\n-5.514544 -0.068970 0.022995\n0.025751 -0.552375 -8.992596\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.396110 0.470862 0.672596 Sr\n0.976495 0.025036 0.253414 Sr\n0.917398 0.988230 0.702146 Pr\n0.464554 0.468836 0.264075 Pr\n0.707622 0.480738 0.903446 Mg\n0.100187 0.528021 0.038967 Fe\n0.466916 0.977485 0.455253 Fe\n0.956715 0.503693 0.490624 Ru\n0.556320 0.998062 0.018570 Ru\n0.944678 0.426170 0.718640 O\n0.558003 0.151676 0.817574 O\n0.029702 0.577420 0.266630 O\n0.534757 0.890350 0.245136 O\n0.214816 0.234198 0.461099 O\n0.756788 0.288475 0.080155 O\n0.869714 0.799193 0.952527 O\n0.208863 0.753555 0.519486 O\n0.697683 0.770351 0.543609 O\n0.406077 0.683215 0.944063 O\n0.284784 0.219614 0.086525 O\n0.689912 0.264820 0.457134 O\n",
"nsites": 21,
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"elements": [
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"Mg",
"Fe",
"Ru",
"O"
],
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"density": 5.812440367540363,
"density_atomic": 0.0744613654098356,
"volume": 282.02544882726676,
"volume_molar": 8.087604527333225,
"formula_full": "Sr2 Pr2 Mg1 Fe2 Ru2 O12",
"formula_reduced": "Sr2Pr2MgFe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -158.78800087,
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},
{
"id": "mp-1110825",
"created_at": "2022-09-04T14:43:00.111302Z",
"structure_string": "Rb2 Ce1 Ag1 I6\n1.0\n0.000000 6.160639 6.160639\n6.160639 0.000000 6.160639\n6.160639 6.160639 0.000000\nRb Ce Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n0.753421 0.246579 0.246579 I\n0.246579 0.246579 0.753421 I\n0.246579 0.753421 0.753421 I\n0.246579 0.753421 0.246579 I\n0.753421 0.246579 0.753421 I\n0.753421 0.753421 0.246579 I\n",
"nsites": 10,
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"elements": [
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"density": 4.191325407561607,
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"volume": 467.63529052246594,
"volume_molar": 28.16165543869784,
"formula_full": "Rb2 Ce1 Ag1 I6",
"formula_reduced": "Rb2CeAgI6",
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"energy": -33.91830286,
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"spacegroup": 225
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{
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