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{
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"results": [
{
"id": "mp-1222673",
"created_at": "2022-09-04T14:45:28.037827Z",
"structure_string": "Li2 Ga1 Cu3\n1.0\n4.184617 -2.469266 0.000000\n4.184617 2.469266 0.000000\n2.727549 0.000000 4.021041\nLi Ga Cu\n2 1 3\ndirect\n0.625003 0.625003 0.625003 Li\n0.374997 0.374997 0.374997 Li\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 6,
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"elements": [
"Li",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Li",
"density": 5.48015143900979,
"density_atomic": 0.07220365157157349,
"volume": 83.0982903136466,
"volume_molar": 8.34049335306874,
"formula_full": "Li2 Ga1 Cu3",
"formula_reduced": "Li2GaCu3",
"formula_anonymous": "AB2C3",
"energy": -20.14505423,
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"updated_at": "2021-11-28T01:37:02.298000Z",
"spacegroup": 166
},
{
"id": "mp-1219212",
"created_at": "2022-09-04T14:45:27.860297Z",
"structure_string": "Sm2 Al4 Fe13\n1.0\n4.893663 -4.275003 0.000000\n4.893663 4.275003 0.000000\n1.159109 0.000000 6.393752\nSm Al Fe\n2 4 13\ndirect\n0.653837 0.653837 0.653837 Sm\n0.344625 0.344625 0.344625 Sm\n0.090568 0.090568 0.090568 Al\n0.995826 0.995826 0.511701 Al\n0.511701 0.995826 0.995826 Al\n0.995826 0.511701 0.995826 Al\n0.711474 0.291856 0.001906 Fe\n0.001906 0.711474 0.291856 Fe\n0.291856 0.001906 0.711474 Fe\n0.001906 0.291856 0.711474 Fe\n0.711474 0.001906 0.291856 Fe\n0.291856 0.711474 0.001906 Fe\n0.337915 0.337915 0.840213 Fe\n0.840213 0.337915 0.337915 Fe\n0.337915 0.840213 0.337915 Fe\n0.657117 0.657117 0.165628 Fe\n0.165628 0.657117 0.657117 Fe\n0.657117 0.165628 0.657117 Fe\n0.901241 0.901241 0.901241 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Sm",
"density": 7.04283537011184,
"density_atomic": 0.07102272577053494,
"volume": 267.52000565828035,
"volume_molar": 8.479174369421898,
"formula_full": "Sm2 Al4 Fe13",
"formula_reduced": "Sm2Al4Fe13",
"formula_anonymous": "A2B4C13",
"energy": -136.57821378,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.214000Z",
"spacegroup": 160
},
{
"id": "mp-772045",
"created_at": "2022-09-04T14:45:27.869817Z",
"structure_string": "Sn1 Sb3 P4 O16\n1.0\n7.039949 0.000000 0.000000\n0.000000 4.832319 0.000000\n0.000000 0.184967 10.080412\nSn Sb P O\n1 3 4 16\ndirect\n0.500000 0.895245 0.707244 Sn\n0.000000 0.100641 0.293666 Sb\n0.000000 0.392459 0.797786 Sb\n0.500000 0.599142 0.201734 Sb\n0.500000 0.157314 0.399325 P\n0.500000 0.329791 0.900915 P\n0.000000 0.674423 0.096930 P\n0.000000 0.837091 0.600047 P\n0.500000 0.221992 0.548280 O\n0.329741 0.303712 0.322687 O\n0.670259 0.303712 0.322687 O\n0.000000 0.154542 0.614703 O\n0.000000 0.355851 0.111352 O\n0.327629 0.199102 0.823750 O\n0.672371 0.199102 0.823750 O\n0.500000 0.255178 0.048887 O\n0.000000 0.752983 0.949841 O\n0.829687 0.809621 0.176839 O\n0.170313 0.809621 0.176839 O\n0.500000 0.650580 0.887544 O\n0.500000 0.841686 0.383691 O\n0.828380 0.696895 0.678860 O\n0.171620 0.696895 0.678860 O\n0.000000 0.762424 0.453781 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sn",
"Sb",
"P",
"O"
],
"chemical_system": "O-P-Sb-Sn",
"density": 4.183086420828086,
"density_atomic": 0.06998546460695852,
"volume": 342.9283514053249,
"volume_molar": 8.604845011490044,
"formula_full": "Sn1 Sb3 P4 O16",
"formula_reduced": "SnSb3(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -171.85459104,
"energy_per_atom": -7.16060796,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:03.024000Z",
"spacegroup": 6
},
{
"id": "mp-1046101",
"created_at": "2022-09-04T14:45:27.874875Z",
"structure_string": "Mg8 Ta8 Mn4 O32\n1.0\n5.232039 -0.001465 -0.032401\n-0.018451 11.558154 -3.547966\n-0.009164 -0.034571 10.180123\nMg Ta Mn O\n8 8 4 32\ndirect\n0.755847 0.207169 0.546066 Mg\n0.755845 0.707163 0.546056 Mg\n0.745220 0.434821 0.456201 Mg\n0.745230 0.934817 0.456201 Mg\n0.245222 0.292636 0.456162 Mg\n0.245221 0.792630 0.456152 Mg\n0.255787 0.065088 0.546190 Mg\n0.255794 0.565085 0.546185 Mg\n0.741234 0.140975 0.237963 Ta\n0.741255 0.640978 0.237946 Ta\n0.759814 0.022340 0.764374 Ta\n0.759845 0.522328 0.764366 Ta\n0.259815 0.358968 0.764293 Ta\n0.259811 0.858982 0.764278 Ta\n0.241305 0.477736 0.238066 Ta\n0.241306 0.977714 0.238059 Ta\n0.750407 0.827819 0.001206 Mn\n0.250349 0.172330 0.001199 Mn\n0.750369 0.327831 0.001258 Mn\n0.250520 0.672296 0.001064 Mn\n0.072134 0.090730 0.148839 O\n0.072146 0.590734 0.148825 O\n0.429059 0.016484 0.853569 O\n0.429074 0.516477 0.853560 O\n0.929056 0.409393 0.853586 O\n0.929053 0.909399 0.853579 O\n0.572029 0.483466 0.148691 O\n0.572023 0.983465 0.148688 O\n0.594063 0.216317 0.123409 O\n0.594062 0.716315 0.123397 O\n0.906735 0.154946 0.878963 O\n0.906753 0.654938 0.878958 O\n0.406685 0.283653 0.878959 O\n0.406682 0.783652 0.878938 O\n0.094037 0.345231 0.123440 O\n0.094048 0.845219 0.123422 O\n0.453846 0.145906 0.375873 O\n0.453844 0.645902 0.375865 O\n0.047218 0.458415 0.626418 O\n0.047215 0.958414 0.626420 O\n0.953810 0.041562 0.375955 O\n0.953807 0.541564 0.375956 O\n0.547182 0.353908 0.626393 O\n0.547182 0.853908 0.626387 O\n0.379695 0.419542 0.385467 O\n0.379702 0.919542 0.385474 O\n0.121268 0.227253 0.616846 O\n0.121267 0.727253 0.616843 O\n0.621295 0.080347 0.616863 O\n0.621299 0.580348 0.616870 O\n0.879711 0.272662 0.385468 O\n0.879705 0.772659 0.385463 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"Ta",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Ta",
"density": 6.409561648004596,
"density_atomic": 0.08455640223341308,
"volume": 614.9741311894633,
"volume_molar": 7.12203996496472,
"formula_full": "Mg8 Ta8 Mn4 O32",
"formula_reduced": "Mg2Ta2MnO8",
"formula_anonymous": "AB2C2D8",
"energy": -463.9741817,
"energy_per_atom": -8.922580417307692,
"energy_above_hull": null,
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"energy_uncorrected": -435.3181817,
"band_gap": 3.0874,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.197000Z",
"spacegroup": 15
},
{
"id": "mp-776393",
"created_at": "2022-09-04T14:45:27.876163Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n13.315488 0.000000 0.000000\n0.000000 5.130158 0.000000\n0.000000 4.836924 8.180679\nLi Mn P O\n8 4 8 28\ndirect\n0.820992 0.419432 0.864052 Li\n0.839763 0.023496 0.279101 Li\n0.339763 0.976504 0.220899 Li\n0.320992 0.580568 0.635948 Li\n0.679008 0.419432 0.364052 Li\n0.660237 0.023496 0.779101 Li\n0.160237 0.976504 0.720899 Li\n0.179008 0.580568 0.135948 Li\n0.635799 0.122621 0.149311 Mn\n0.135799 0.877379 0.350689 Mn\n0.864201 0.122621 0.649311 Mn\n0.364201 0.877379 0.850689 Mn\n0.020818 0.598249 0.712017 P\n0.685460 0.721888 0.569607 P\n0.185460 0.278112 0.930393 P\n0.520818 0.401751 0.787983 P\n0.479182 0.598249 0.212017 P\n0.814540 0.721888 0.069607 P\n0.314540 0.278112 0.430393 P\n0.979182 0.401751 0.287983 P\n0.790314 0.424249 0.072942 O\n0.747546 0.769947 0.692387 O\n0.020849 0.205323 0.222971 O\n0.438971 0.520314 0.851229 O\n0.693503 0.002588 0.397871 O\n0.109331 0.762489 0.595459 O\n0.570211 0.703357 0.629327 O\n0.070211 0.296643 0.870673 O\n0.609331 0.237511 0.904541 O\n0.193503 0.997412 0.102129 O\n0.938971 0.479686 0.648771 O\n0.520849 0.794677 0.277029 O\n0.290314 0.575751 0.427058 O\n0.247546 0.230053 0.807613 O\n0.752454 0.769947 0.192387 O\n0.709686 0.424249 0.572942 O\n0.479151 0.205323 0.722971 O\n0.061029 0.520314 0.351229 O\n0.806497 0.002588 0.897871 O\n0.390669 0.762489 0.095459 O\n0.929789 0.703357 0.129327 O\n0.429789 0.296643 0.370673 O\n0.890669 0.237511 0.404541 O\n0.306497 0.997412 0.602129 O\n0.561029 0.479686 0.148771 O\n0.979151 0.794677 0.777029 O\n0.252454 0.230053 0.307613 O\n0.209686 0.575751 0.927058 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.885460041504393,
"density_atomic": 0.08589424313006577,
"volume": 558.8267414769086,
"volume_molar": 7.011111036720988,
"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -359.92758896000004,
"energy_per_atom": -7.498491436666668,
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"updated_at": "2021-11-28T01:37:00.537000Z",
"spacegroup": 14
},
{
"id": "mp-756420",
"created_at": "2022-09-04T14:45:27.882078Z",
"structure_string": "Cr4 P2 O10\n1.0\n1.928968 -4.045016 3.238722\n1.928530 4.044982 3.238942\n-7.145887 0.000389 0.013890\nCr P O\n4 2 10\ndirect\n0.499664 0.499969 0.999975 Cr\n0.000053 0.500035 0.500076 Cr\n0.500238 0.500008 0.500168 Cr\n0.499884 0.000030 0.999931 Cr\n0.896776 0.103160 0.749978 P\n0.103124 0.896848 0.249985 P\n0.637609 0.362531 0.250029 O\n0.362604 0.637472 0.750028 O\n0.201001 0.174384 0.886776 O\n0.825796 0.798990 0.613359 O\n0.174587 0.201146 0.386918 O\n0.798814 0.825602 0.113184 O\n0.727232 0.160615 0.884577 O\n0.839382 0.272570 0.615160 O\n0.160611 0.727201 0.384494 O\n0.272624 0.839439 0.115362 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"P",
"O"
],
"chemical_system": "Cr-O-P",
"density": 3.8084418851000437,
"density_atomic": 0.0853541387889065,
"volume": 187.45429603092103,
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"formula_full": "Cr4 P2 O10",
"formula_reduced": "Cr2PO5",
"formula_anonymous": "AB2C5",
"energy": -138.31113503,
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"updated_at": "2021-11-28T01:37:10.120000Z",
"spacegroup": 15
},
{
"id": "mp-1093823",
"created_at": "2022-09-04T14:45:27.883366Z",
"structure_string": "Ca1 Mg1 Cd2\n1.0\n-6.457505 6.705527 9.132957\n6.457505 -6.705527 9.132957\n6.457505 6.705527 -9.132957\nCa Mg Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.238935 0.000000 0.238935 Cd\n0.761065 0.000000 0.761065 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.30358885463341156,
"density_atomic": 0.002528662805140144,
"volume": 1581.8637391545415,
"volume_molar": 238.1551525082143,
"formula_full": "Ca1 Mg1 Cd2",
"formula_reduced": "CaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.16421649,
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"energy_uncorrected": -1.16421649,
"band_gap": 0.08,
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"updated_at": "2021-11-28T01:36:54.842000Z",
"spacegroup": 71
},
{
"id": "mp-1233081",
"created_at": "2022-09-04T14:45:27.885447Z",
"structure_string": "Ba2 Ca1 Mn2 P4 O14\n1.0\n5.339446 0.764367 -0.030216\n0.552072 10.250701 -1.713254\n0.052949 -0.175186 7.860747\nBa Ca Mn P O\n2 1 2 4 14\ndirect\n0.088826 0.689635 0.911146 Ba\n0.923107 0.309318 0.075740 Ba\n0.508776 0.999929 0.995331 Ca\n0.176960 0.576947 0.355047 Mn\n0.845601 0.400317 0.592088 Mn\n0.621843 0.725312 0.239653 P\n0.380355 0.288895 0.761457 P\n0.602777 0.716945 0.606859 P\n0.393645 0.264520 0.386245 P\n0.642517 0.315331 0.381865 O\n0.361313 0.658708 0.590089 O\n0.607150 0.819092 0.771744 O\n0.360315 0.155316 0.237294 O\n0.158010 0.381016 0.406653 O\n0.842398 0.604789 0.595154 O\n0.629539 0.790798 0.445111 O\n0.385547 0.205018 0.563088 O\n0.132507 0.395518 0.785781 O\n0.839658 0.600838 0.202764 O\n0.617299 0.351528 0.781067 O\n0.359786 0.689505 0.209296 O\n0.373959 0.187157 0.876334 O\n0.673111 0.828925 0.138528 O\n",
"nsites": 23,
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"elements": [
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"Ca",
"Mn",
"P",
"O"
],
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"density": 3.016315414453213,
"density_atomic": 0.05408289890506196,
"volume": 425.27306164513465,
"volume_molar": 11.135018428970254,
"formula_full": "Ba2 Ca1 Mn2 P4 O14",
"formula_reduced": "Ba2CaMn2(P2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -178.02361899000002,
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"spacegroup": 1
},
{
"id": "mp-1211653",
"created_at": "2022-09-04T14:45:27.876298Z",
"structure_string": "K6 P2 O10\n1.0\n-3.703114 3.703114 5.685228\n3.703114 -3.703114 5.685228\n3.703114 3.703114 -5.685228\nK P O\n6 2 10\ndirect\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.694120 0.194120 0.888239 K\n0.305880 0.805880 0.111761 K\n0.194120 0.305880 0.500000 K\n0.805880 0.694120 0.500000 K\n0.750000 0.250000 0.500000 P\n0.250000 0.750000 0.500000 P\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.286607 0.786607 0.737842 O\n0.713393 0.213393 0.262158 O\n0.048765 0.548765 0.262158 O\n0.786607 0.048765 0.500000 O\n0.451235 0.713393 0.500000 O\n0.951235 0.451235 0.737842 O\n0.213393 0.951235 0.500000 O\n0.548765 0.286607 0.500000 O\n",
"nsites": 18,
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"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.4309590160814403,
"density_atomic": 0.057720550380124164,
"volume": 311.84733827829587,
"volume_molar": 10.433269815240187,
"formula_full": "K6 P2 O10",
"formula_reduced": "K3PO5",
"formula_anonymous": "AB3C5",
"energy": -104.70629159,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:10.629000Z",
"spacegroup": 140
},
{
"id": "mp-1218076",
"created_at": "2022-09-04T14:45:27.877959Z",
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"elements": [
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],
"chemical_system": "Bi-O-Ta-Zn",
"density": 8.708195832881742,
"density_atomic": 0.07567413035865503,
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"formula_full": "Ta3 Zn2 Bi3 O14",
"formula_reduced": "Ta3Zn2Bi3O14",
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},
{
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},
{
"id": "mp-560196",
"created_at": "2022-09-04T14:45:27.948594Z",
"structure_string": "Al4 H12 O12\n1.0\n8.766996 0.000000 0.000000\n0.000000 4.839165 0.000000\n0.000000 1.006536 5.005143\nAl H O\n4 12 12\ndirect\n0.335067 0.980188 0.046395 Al\n0.835067 0.019812 0.453605 Al\n0.664933 0.019812 0.953605 Al\n0.164933 0.980188 0.546395 Al\n0.384159 0.637579 0.750099 H\n0.044040 0.206535 0.136853 H\n0.884159 0.362421 0.749901 H\n0.455960 0.206535 0.636853 H\n0.955960 0.793465 0.863147 H\n0.188654 0.390685 0.791025 H\n0.311346 0.390685 0.291025 H\n0.688654 0.609315 0.708975 H\n0.615841 0.362421 0.249901 H\n0.811346 0.609315 0.208975 H\n0.115841 0.637579 0.250099 H\n0.544040 0.793465 0.363147 H\n0.829215 0.813781 0.165802 O\n0.517001 0.784297 0.177554 O\n0.798663 0.250117 0.706949 O\n0.982999 0.784297 0.677554 O\n0.329215 0.186219 0.334198 O\n0.701337 0.250117 0.206949 O\n0.670785 0.813781 0.665802 O\n0.017001 0.215703 0.322446 O\n0.170785 0.186219 0.834198 O\n0.201337 0.749883 0.293051 O\n0.298663 0.749883 0.793051 O\n0.482999 0.215703 0.822446 O\n",
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"volume": 212.3428924591401,
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"formula_full": "Al4 H12 O12",
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"updated_at": "2021-11-28T01:37:00.121000Z",
"spacegroup": 14
}
]
}