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{
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"results": [
{
"id": "mp-1223429",
"created_at": "2022-09-04T14:46:26.693741Z",
"structure_string": "K1 Na1 P6 Pb8 O24\n1.0\n4.976270 -8.619152 0.000000\n4.976270 8.619152 0.000000\n0.000000 0.000000 7.350914\nK Na P Pb O\n1 1 6 8 24\ndirect\n0.666667 0.333333 0.509527 K\n0.000000 0.000000 0.993964 Na\n0.350693 0.290547 0.751118 P\n0.939854 0.649307 0.751118 P\n0.709453 0.060146 0.751118 P\n0.310247 0.039507 0.244523 P\n0.729260 0.689753 0.244523 P\n0.960493 0.270740 0.244523 P\n0.332018 0.405381 0.249760 Pb\n0.073363 0.667982 0.249760 Pb\n0.594619 0.926637 0.249760 Pb\n0.332098 0.925417 0.752826 Pb\n0.593319 0.667902 0.752826 Pb\n0.074583 0.406681 0.752826 Pb\n0.666667 0.333333 0.012694 Pb\n0.000000 0.000000 0.512190 Pb\n0.171999 0.187242 0.753501 O\n0.015244 0.828001 0.753501 O\n0.812758 0.984756 0.753501 O\n0.488730 0.141864 0.240438 O\n0.653133 0.511270 0.240438 O\n0.858136 0.346867 0.240438 O\n0.427680 0.185922 0.753898 O\n0.758242 0.572320 0.753898 O\n0.814078 0.241758 0.753898 O\n0.231549 0.142584 0.244346 O\n0.911036 0.768451 0.244346 O\n0.857416 0.088964 0.244346 O\n0.414427 0.399941 0.920576 O\n0.985514 0.585573 0.920576 O\n0.600059 0.014486 0.920576 O\n0.251550 0.934684 0.418061 O\n0.683134 0.748450 0.418061 O\n0.065316 0.316866 0.418061 O\n0.248938 0.926609 0.079091 O\n0.677671 0.751062 0.079091 O\n0.073391 0.322329 0.079091 O\n0.409015 0.399449 0.582399 O\n0.990434 0.590985 0.582399 O\n0.600551 0.009566 0.582399 O\n",
"nsites": 40,
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"volume": 630.5794497526002,
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"formula_full": "K1 Na1 P6 Pb8 O24",
"formula_reduced": "KNaP6(PbO3)8",
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"updated_at": "2021-11-28T01:37:40.409000Z",
"spacegroup": 143
},
{
"id": "mp-1232252",
"created_at": "2022-09-04T14:46:31.738353Z",
"structure_string": "Ho16 Mg8 S32\n1.0\n7.536621 0.000000 0.000000\n0.000000 12.628418 0.000000\n0.000000 0.000000 12.765275\nHo Mg S\n16 8 32\ndirect\n0.884167 0.108720 0.685595 Ho\n0.115833 0.891280 0.185595 Ho\n0.884167 0.391280 0.185595 Ho\n0.115833 0.608720 0.685595 Ho\n0.382804 0.127082 0.326138 Ho\n0.617196 0.872918 0.826138 Ho\n0.382804 0.372918 0.826138 Ho\n0.617196 0.627082 0.326138 Ho\n0.630230 0.133868 0.992276 Ho\n0.369770 0.866132 0.492276 Ho\n0.630230 0.366132 0.492276 Ho\n0.369770 0.633868 0.992276 Ho\n0.130084 0.134172 0.991571 Ho\n0.869916 0.865828 0.491571 Ho\n0.130084 0.365828 0.491571 Ho\n0.869916 0.634172 0.991571 Ho\n0.383202 0.111374 0.691576 Mg\n0.616798 0.888626 0.191576 Mg\n0.383202 0.388626 0.191576 Mg\n0.616798 0.611374 0.691576 Mg\n0.879714 0.126213 0.321373 Mg\n0.120286 0.873787 0.821373 Mg\n0.879714 0.373787 0.821373 Mg\n0.120286 0.626213 0.321373 Mg\n0.877653 0.013337 0.877593 S\n0.122347 0.986663 0.377593 S\n0.877653 0.486663 0.377593 S\n0.122347 0.513337 0.877593 S\n0.377784 0.032219 0.130697 S\n0.622216 0.967781 0.630697 S\n0.377784 0.467781 0.630697 S\n0.622216 0.532219 0.130697 S\n0.374437 0.022239 0.870372 S\n0.625563 0.977761 0.370372 S\n0.374437 0.477761 0.370372 S\n0.625563 0.522239 0.870372 S\n0.875040 0.043000 0.136516 S\n0.124960 0.957000 0.636516 S\n0.875040 0.457000 0.636516 S\n0.124960 0.543000 0.136516 S\n0.880640 0.212154 0.502180 S\n0.119360 0.787846 0.002180 S\n0.880640 0.287846 0.002180 S\n0.119360 0.712154 0.502180 S\n0.380639 0.213102 0.518889 S\n0.619361 0.786898 0.018889 S\n0.380639 0.286898 0.018889 S\n0.619361 0.713102 0.518889 S\n0.131134 0.232164 0.775321 S\n0.868866 0.767836 0.275321 S\n0.131134 0.267836 0.275321 S\n0.868866 0.732164 0.775321 S\n0.633937 0.232543 0.776905 S\n0.366063 0.767457 0.276905 S\n0.633937 0.267457 0.276905 S\n0.366063 0.732543 0.776905 S\n",
"nsites": 56,
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"elements": [
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"S"
],
"chemical_system": "Ho-Mg-S",
"density": 5.27489314289407,
"density_atomic": 0.04609270831461448,
"volume": 1214.9427110631345,
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"formula_full": "Ho16 Mg8 S32",
"formula_reduced": "Ho2MgS4",
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"energy": -339.32462685,
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"updated_at": "2021-11-28T01:37:36.270000Z",
"spacegroup": 29
},
{
"id": "mp-773363",
"created_at": "2022-09-04T14:46:26.713024Z",
"structure_string": "Li8 Mn6 W2 O16\n1.0\n5.218914 -1.721361 2.632404\n5.219006 1.560158 -2.731201\n1.615955 7.055079 8.001566\nLi Mn W O\n8 6 2 16\ndirect\n0.499927 0.250074 0.750000 Li\n0.499925 0.750073 0.250000 Li\n0.499980 0.999950 0.000007 Li\n0.499986 0.499945 0.500002 Li\n0.000067 0.749928 0.750004 Li\n0.000076 0.249928 0.249996 Li\n0.000058 0.500013 0.999993 Li\n0.000057 0.000012 0.499998 Li\n0.998814 0.250920 0.750428 Mn\n0.500354 0.999647 0.500000 Mn\n0.499508 0.250758 0.249572 Mn\n0.998840 0.750898 0.250418 Mn\n0.500354 0.499651 0.999996 Mn\n0.499507 0.750748 0.749584 Mn\n0.000204 0.499795 0.500002 W\n0.000204 0.999795 0.000003 W\n0.260490 0.391062 0.130343 O\n0.260496 0.891028 0.630362 O\n0.739290 0.609161 0.869656 O\n0.739342 0.109132 0.369638 O\n0.216542 0.660604 0.886882 O\n0.216520 0.160625 0.386879 O\n0.774022 0.381828 0.607712 O\n0.774049 0.881809 0.107701 O\n0.773947 0.102497 0.887052 O\n0.773983 0.602479 0.387036 O\n0.784572 0.338977 0.112945 O\n0.784576 0.838957 0.612961 O\n0.225865 0.618285 0.392288 O\n0.225871 0.118272 0.892299 O\n0.226299 0.896560 0.113119 O\n0.226275 0.396588 0.613124 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"W",
"O"
],
"chemical_system": "Li-Mn-O-W",
"density": 4.993353141839937,
"density_atomic": 0.09538423640585197,
"volume": 335.4852039056293,
"volume_molar": 6.31355975255313,
"formula_full": "Li8 Mn6 W2 O16",
"formula_reduced": "Li4Mn3WO8",
"formula_anonymous": "AB3C4D8",
"energy": -243.51799526,
"energy_per_atom": -7.609937351875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:31.577000Z",
"spacegroup": 166
},
{
"id": "mp-1183087",
"created_at": "2022-09-04T14:46:36.080016Z",
"structure_string": "Ac3 Lu1\n1.0\n-2.733848 2.733848 5.477453\n2.733848 -2.733848 5.477453\n2.733848 2.733848 -5.477453\nAc Lu\n3 1\ndirect\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Lu\n",
"nsites": 4,
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"elements": [
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"Lu"
],
"chemical_system": "Ac-Lu",
"density": 8.679980294323821,
"density_atomic": 0.024427139431547423,
"volume": 163.75228917856984,
"volume_molar": 24.65348338013931,
"formula_full": "Ac3 Lu1",
"formula_reduced": "Ac3Lu",
"formula_anonymous": "AB3",
"energy": -16.58706464,
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"updated_at": "2021-11-28T01:37:38.076000Z",
"spacegroup": 139
},
{
"id": "mp-1244594",
"created_at": "2022-09-04T14:46:26.781269Z",
"structure_string": "La8 Mn2 S12 O2\n1.0\n9.498228 -0.007714 -0.003969\n-4.755786 8.226965 0.005207\n-0.002826 0.002666 6.797361\nLa Mn S O\n8 2 12 2\ndirect\n0.392512 0.196604 0.179197 La\n0.333649 0.666796 0.211963 La\n0.197102 0.803530 0.680292 La\n0.666397 0.333211 0.711901 La\n0.803191 0.607093 0.180167 La\n0.196887 0.392976 0.680744 La\n0.607689 0.803699 0.679330 La\n0.802701 0.196943 0.180837 La\n0.001200 0.003049 0.511258 Mn\n0.997132 0.995304 0.015214 Mn\n0.881412 0.118728 0.782175 S\n0.470190 0.939622 0.959792 S\n0.060569 0.530315 0.959775 S\n0.530211 0.469607 0.459808 S\n0.530259 0.060636 0.459759 S\n0.762155 0.881202 0.281256 S\n0.118098 0.236633 0.281193 S\n0.881927 0.763273 0.780937 S\n0.470073 0.530656 0.959950 S\n0.939578 0.469755 0.459691 S\n0.238170 0.118743 0.781018 S\n0.118672 0.881457 0.282377 S\n0.333442 0.666495 0.558125 O\n0.666783 0.333671 0.058183 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"S",
"O"
],
"chemical_system": "La-Mn-O-S",
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"volume": 530.9070491234394,
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"formula_full": "La8 Mn2 S12 O2",
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"energy": -176.27783739,
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"updated_at": "2021-11-28T01:37:41.884000Z",
"spacegroup": 36
},
{
"id": "mp-1026459",
"created_at": "2022-09-04T14:46:36.080577Z",
"structure_string": "Mg14 Cd1 W1\n1.0\n6.279639 -0.020668 0.000000\n-3.157718 5.469328 0.000000\n0.000000 0.000000 9.967928\nMg Cd W\n14 1 1\ndirect\n0.167013 0.333506 0.625000 Mg\n0.168769 0.834384 0.625000 Mg\n0.668074 0.332736 0.125000 Mg\n0.665971 0.331523 0.625000 Mg\n0.668074 0.835338 0.125000 Mg\n0.665971 0.834447 0.625000 Mg\n0.327344 0.171634 0.364537 Mg\n0.327344 0.171634 0.885463 Mg\n0.327344 0.655712 0.364537 Mg\n0.327344 0.655712 0.885463 Mg\n0.844380 0.172190 0.366896 Mg\n0.844380 0.172190 0.883104 Mg\n0.833385 0.666693 0.374379 Mg\n0.833385 0.666693 0.875621 Mg\n0.164815 0.832407 0.125000 Cd\n0.166407 0.333203 0.125000 W\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.09324509626215,
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"volume": 341.7019842651749,
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"formula_full": "Mg14 Cd1 W1",
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"updated_at": "2021-11-28T01:37:41.760000Z",
"spacegroup": 38
},
{
"id": "mp-1207053",
"created_at": "2022-09-04T14:46:26.740333Z",
"structure_string": "Pr2 Cu3 Sn3\n1.0\n3.023908 0.000000 0.000000\n0.000000 3.023908 0.000000\n0.000000 0.000000 22.824715\nPr Cu Sn\n2 3 3\ndirect\n0.500000 0.500000 0.757642 Pr\n0.500000 0.500000 0.242358 Pr\n0.500000 0.500000 0.116377 Cu\n0.500000 0.500000 0.883623 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.387773 Sn\n0.500000 0.500000 0.612227 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 8,
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"elements": [
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],
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"density": 6.592388027621694,
"density_atomic": 0.03833076400221552,
"volume": 208.70964115240696,
"volume_molar": 15.710985462361043,
"formula_full": "Pr2 Cu3 Sn3",
"formula_reduced": "Pr2(CuSn)3",
"formula_anonymous": "A2B3C3",
"energy": -29.34170798,
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"updated_at": "2021-11-28T01:37:41.053000Z",
"spacegroup": 123
},
{
"id": "mp-1093588",
"created_at": "2022-09-04T14:46:26.751960Z",
"structure_string": "Mg1 Sn1 Pt2\n1.0\n-5.022887 5.039398 7.206402\n5.022887 -5.039398 7.206402\n5.022887 5.039398 -7.206402\nMg Sn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sn\n0.000000 0.255730 0.255730 Pt\n0.000000 0.744270 0.744270 Pt\n",
"nsites": 4,
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"elements": [
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"Pt"
],
"chemical_system": "Mg-Pt-Sn",
"density": 1.2134303349298023,
"density_atomic": 0.005482131487257855,
"volume": 729.6432070805342,
"volume_molar": 109.85035244042015,
"formula_full": "Mg1 Sn1 Pt2",
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"formula_anonymous": "ABC2",
"energy": -12.37980846,
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"updated_at": "2021-11-28T01:37:39.983000Z",
"spacegroup": 71
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{
"id": "mp-1213497",
"created_at": "2022-09-04T14:46:26.778911Z",
"structure_string": "Gd4 Ga18 Ir6\n1.0\n3.810369 -6.581314 0.000000\n3.810369 6.581314 0.000000\n0.000000 0.000000 9.555982\nGd Ga Ir\n4 18 6\ndirect\n0.997147 0.668071 0.250000 Gd\n0.002853 0.331929 0.750000 Gd\n0.668071 0.997147 0.250000 Gd\n0.331929 0.002853 0.750000 Gd\n0.125576 0.125576 0.250000 Ga\n0.874424 0.874424 0.750000 Ga\n0.000680 0.333987 0.076334 Ga\n0.999320 0.666013 0.923666 Ga\n0.999320 0.666013 0.576334 Ga\n0.333987 0.000680 0.423666 Ga\n0.000680 0.333987 0.423666 Ga\n0.666013 0.999320 0.576334 Ga\n0.666013 0.999320 0.923666 Ga\n0.333987 0.000680 0.076334 Ga\n0.333920 0.333920 0.560499 Ga\n0.666080 0.666080 0.439501 Ga\n0.666080 0.666080 0.060499 Ga\n0.333920 0.333920 0.939501 Ga\n0.336864 0.545720 0.250000 Ga\n0.663136 0.454280 0.750000 Ga\n0.545720 0.336864 0.250000 Ga\n0.454280 0.663136 0.750000 Ga\n0.671420 0.328580 0.000000 Ir\n0.328580 0.671420 0.000000 Ir\n0.328580 0.671420 0.500000 Ir\n0.671420 0.328580 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
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"elements": [
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"Ga",
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],
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"density": 10.523352292904153,
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"volume": 479.2752095746246,
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"formula_full": "Gd4 Ga18 Ir6",
"formula_reduced": "Gd2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -182.79717414,
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"updated_at": "2021-11-28T01:37:37.482000Z",
"spacegroup": 63
},
{
"id": "mp-1232472",
"created_at": "2022-09-04T14:46:26.903833Z",
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"elements": [
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],
"chemical_system": "Ag-Cr-S",
"density": 5.0799682987606065,
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"formula_full": "Cr4 Ag4 S8",
"formula_reduced": "CrAgS2",
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"updated_at": "2021-11-28T01:37:42.509000Z",
"spacegroup": 7
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{
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"structure_string": "Th1 Sn1 Au2\n1.0\n0.000000 3.607336 3.607336\n3.607336 0.000000 3.607336\n3.607336 3.607336 0.000000\nTh Sn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"density_atomic": 0.04260594553903944,
"volume": 93.8836105945551,
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"formula_full": "Th1 Sn1 Au2",
"formula_reduced": "ThSnAu2",
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"updated_at": "2021-11-28T01:37:40.650000Z",
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{
"id": "mp-1184967",
"created_at": "2022-09-04T14:46:26.949321Z",
"structure_string": "Li2 Pb1 Au1\n1.0\n0.000000 3.307442 3.307442\n3.307442 0.000000 3.307442\n3.307442 3.307442 0.000000\nLi Pb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Au\n",
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],
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"density": 9.593324429971734,
"density_atomic": 0.055278122570108765,
"volume": 72.36135769493319,
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"formula_full": "Li2 Pb1 Au1",
"formula_reduced": "Li2PbAu",
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"total_magnetization": 0.0005298,
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"updated_at": "2021-11-28T01:37:35.651000Z",
"spacegroup": 225
}
]
}