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{
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"results": [
{
"id": "mp-1022825",
"created_at": "2022-09-04T14:44:14.720656Z",
"structure_string": "Mg12 Mn2 Bi2\n1.0\n5.076093 0.000000 0.000000\n0.000000 6.412813 0.000000\n0.000000 0.000000 11.030687\nMg Mn Bi\n12 2 2\ndirect\n0.000000 0.236427 0.077887 Mg\n0.000000 0.763573 0.077887 Mg\n0.000000 0.500000 0.833800 Mg\n0.500000 0.244335 0.914899 Mg\n0.500000 0.755665 0.914899 Mg\n0.500000 0.500000 0.668285 Mg\n0.000000 0.736427 0.577887 Mg\n0.000000 0.263573 0.577887 Mg\n0.000000 0.000000 0.333800 Mg\n0.500000 0.744335 0.414899 Mg\n0.500000 0.255665 0.414899 Mg\n0.500000 0.000000 0.168285 Mg\n0.000000 0.500000 0.340706 Mn\n0.000000 0.000000 0.840706 Mn\n0.500000 0.500000 0.171639 Bi\n0.500000 0.000000 0.671639 Bi\n",
"nsites": 16,
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{
"id": "mp-1184502",
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"structure_string": "In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n",
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"spacegroup": 166
},
{
"id": "mp-1212210",
"created_at": "2022-09-04T14:47:22.181522Z",
"structure_string": "K6 Li2 Pb8\n1.0\n3.663374 -8.176628 0.000000\n3.663374 8.176628 0.000000\n0.000000 0.000000 10.358398\nK Li Pb\n6 2 8\ndirect\n0.231311 0.768689 0.250000 K\n0.768689 0.231311 0.750000 K\n0.610331 0.389669 0.047568 K\n0.389669 0.610331 0.952432 K\n0.389669 0.610331 0.547568 K\n0.610331 0.389669 0.452432 K\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.177107 0.255475 0.250000 Pb\n0.822893 0.744525 0.750000 Pb\n0.744525 0.822893 0.250000 Pb\n0.255475 0.177107 0.750000 Pb\n0.824675 0.175325 0.099589 Pb\n0.175325 0.824675 0.900411 Pb\n0.175325 0.824675 0.599589 Pb\n0.824675 0.175325 0.400411 Pb\n",
"nsites": 16,
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"elements": [
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"chemical_system": "K-Li-Pb",
"density": 5.100470798915546,
"density_atomic": 0.025783501422310562,
"volume": 620.5518691171688,
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"formula_full": "K6 Li2 Pb8",
"formula_reduced": "K3LiPb4",
"formula_anonymous": "AB3C4",
"energy": -44.02610686,
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"updated_at": "2021-11-28T01:38:04.350000Z",
"spacegroup": 63
},
{
"id": "mp-1094163",
"created_at": "2022-09-04T14:39:26.489104Z",
"structure_string": "La2 Mg4\n1.0\n1.696665 -8.961176 0.000000\n1.696665 8.961176 0.000000\n0.000000 0.000000 5.659842\nLa Mg\n2 4\ndirect\n0.890384 0.109616 0.250000 La\n0.109616 0.890384 0.750000 La\n0.556704 0.443296 0.250000 Mg\n0.219805 0.780195 0.250000 Mg\n0.780195 0.219805 0.750000 Mg\n0.443296 0.556704 0.750000 Mg\n",
"nsites": 6,
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"density": 3.6184350750544287,
"density_atomic": 0.034862284205824746,
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"formula_full": "La2 Mg4",
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"updated_at": "2021-11-28T01:34:28.388000Z",
"spacegroup": 63
},
{
"id": "mp-1187495",
"created_at": "2022-09-04T14:45:09.334166Z",
"structure_string": "Tl3 Ge1\n1.0\n4.818523 0.000000 0.000000\n0.000000 4.818523 0.000000\n0.000000 0.000000 4.818523\nTl Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ge-Tl",
"density": 10.178842002683936,
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"volume": 111.87725677728722,
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"formula_full": "Tl3 Ge1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:51.709000Z",
"spacegroup": 221
},
{
"id": "mp-1093837",
"created_at": "2022-09-04T14:46:55.833673Z",
"structure_string": "Mn1 Zn2 Rh1\n1.0\n-5.039925 5.315937 7.740277\n5.039925 -5.315937 7.740277\n5.039925 5.315937 -7.740277\nMn Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.260018 0.260018 Zn\n0.000000 0.739982 0.739982 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Mn-Rh-Zn",
"density": 0.5778533506100929,
"density_atomic": 0.004822137589839609,
"volume": 829.5076458266395,
"volume_molar": 124.88529511660624,
"formula_full": "Mn1 Zn2 Rh1",
"formula_reduced": "MnZn2Rh",
"formula_anonymous": "ABC2",
"energy": -11.00439923,
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"updated_at": "2021-11-28T01:37:45.355000Z",
"spacegroup": 71
},
{
"id": "mp-1208424",
"created_at": "2022-09-04T14:47:16.978843Z",
"structure_string": "Te8 Br32\n1.0\n5.735638 9.419842 0.000000\n-5.735638 9.419842 0.000000\n0.000000 7.586493 15.089704\nTe Br\n8 32\ndirect\n0.760440 0.235435 0.387399 Te\n0.239560 0.764565 0.612601 Te\n0.764565 0.239560 0.112601 Te\n0.235435 0.760440 0.887399 Te\n0.614227 0.660205 0.183586 Te\n0.385773 0.339795 0.816414 Te\n0.339795 0.385773 0.316414 Te\n0.660205 0.614227 0.683586 Te\n0.638262 0.128947 0.542739 Br\n0.361738 0.871053 0.457261 Br\n0.871053 0.361738 0.957261 Br\n0.128947 0.638262 0.042739 Br\n0.983323 0.014945 0.372728 Br\n0.016677 0.985055 0.627272 Br\n0.985055 0.016677 0.127272 Br\n0.014945 0.983323 0.872728 Br\n0.381591 0.872343 0.192774 Br\n0.618409 0.127657 0.807226 Br\n0.127657 0.618409 0.307226 Br\n0.872343 0.381591 0.692774 Br\n0.496048 0.506539 0.129359 Br\n0.503952 0.493461 0.870641 Br\n0.493461 0.503952 0.370641 Br\n0.506539 0.496048 0.629359 Br\n0.646279 0.139161 0.064163 Br\n0.353721 0.860839 0.935837 Br\n0.860839 0.353721 0.435837 Br\n0.139161 0.646279 0.564163 Br\n0.720153 0.759055 0.020780 Br\n0.279847 0.240945 0.979220 Br\n0.240945 0.279847 0.479220 Br\n0.759055 0.720153 0.520780 Br\n0.620414 0.133207 0.310429 Br\n0.379586 0.866793 0.689571 Br\n0.866793 0.379586 0.189571 Br\n0.133207 0.620414 0.810429 Br\n0.729928 0.746009 0.245272 Br\n0.270072 0.253991 0.754728 Br\n0.253991 0.270072 0.254728 Br\n0.746009 0.729928 0.745272 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Te",
"density": 3.643513215871229,
"density_atomic": 0.024531489766107882,
"volume": 1630.5573114953272,
"volume_molar": 24.548614117680067,
"formula_full": "Te8 Br32",
"formula_reduced": "TeBr4",
"formula_anonymous": "AB4",
"energy": -110.03570503,
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"spacegroup": 15
},
{
"id": "mp-1185724",
"created_at": "2022-09-04T14:40:28.568661Z",
"structure_string": "Mg16 Mn1 Al12\n1.0\n7.608747 -4.392912 3.106258\n-0.100639 8.495304 2.941915\n-7.407468 -4.160495 2.941915\nMg Mn Al\n16 1 12\ndirect\n0.994088 0.000000 0.999999 Mg\n0.004058 0.350978 0.000000 Mg\n0.318622 0.601094 0.000000 Mg\n0.588063 0.292780 0.000000 Mg\n0.683381 0.681023 0.280597 Mg\n0.588062 0.000000 0.292780 Mg\n0.002358 0.599574 0.318977 Mg\n0.004058 0.000000 0.350978 Mg\n0.402784 0.719403 0.400427 Mg\n0.717529 0.398907 0.398907 Mg\n0.318622 0.999999 0.601094 Mg\n0.002358 0.318977 0.599574 Mg\n0.653079 0.649022 0.649022 Mg\n0.683381 0.280597 0.681023 Mg\n0.295282 0.707220 0.707220 Mg\n0.402784 0.400427 0.719403 Mg\n0.293986 0.999999 0.999999 Mn\n0.641515 0.810475 0.000000 Al\n0.814802 0.625250 0.000000 Al\n0.367132 0.362854 0.181403 Al\n0.185730 0.818596 0.181450 Al\n0.831039 0.189525 0.189525 Al\n0.367132 0.181404 0.362854 Al\n0.189551 0.374751 0.374751 Al\n0.814801 0.000000 0.625251 Al\n0.004279 0.818551 0.637146 Al\n0.641516 0.000000 0.810475 Al\n0.004278 0.637147 0.818550 Al\n0.185730 0.181450 0.818596 Al\n",
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"volume": 574.4947491442033,
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"formula_full": "Mg16 Mn1 Al12",
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"formula_anonymous": "AB12C16",
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"spacegroup": 160
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{
"id": "mp-11055",
"created_at": "2022-09-04T14:39:10.616967Z",
"structure_string": "Cs16 Sn16\n1.0\n-6.179782 6.179782 10.106670\n6.179782 -6.179782 10.106670\n6.179782 6.179782 -10.106670\nCs Sn\n16 16\ndirect\n0.379002 0.879002 0.258003 Cs\n0.629002 0.870998 0.000000 Cs\n0.870998 0.629002 0.000000 Cs\n0.620998 0.120998 0.741997 Cs\n0.370998 0.370998 0.241997 Cs\n0.120998 0.379002 0.500000 Cs\n0.879002 0.620998 0.500000 Cs\n0.129002 0.129002 0.758003 Cs\n0.625000 0.234545 0.109545 Cs\n0.984545 0.375000 0.109545 Cs\n0.265455 0.875000 0.890455 Cs\n0.125000 0.515455 0.890455 Cs\n0.125000 0.015455 0.390455 Cs\n0.765455 0.875000 0.390455 Cs\n0.484545 0.375000 0.609545 Cs\n0.625000 0.734545 0.609545 Cs\n0.093112 0.758886 0.457289 Sn\n0.864176 0.198402 0.457289 Sn\n0.741114 0.406888 0.542711 Sn\n0.156888 0.114176 0.165774 Sn\n0.948402 0.991114 0.834226 Sn\n0.508886 0.551598 0.165774 Sn\n0.385824 0.343112 0.834226 Sn\n0.301598 0.635824 0.542711 Sn\n0.656888 0.491114 0.042711 Sn\n0.885824 0.051598 0.042711 Sn\n0.008886 0.843112 0.957289 Sn\n0.593112 0.135824 0.334226 Sn\n0.801598 0.258886 0.665774 Sn\n0.241114 0.698402 0.334226 Sn\n0.364176 0.906888 0.665774 Sn\n0.448402 0.614176 0.957289 Sn\n",
"nsites": 32,
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"volume": 1543.8830062725112,
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"formula_full": "Cs16 Sn16",
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"energy": -88.01873856,
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"updated_at": "2021-11-28T01:34:45.468000Z",
"spacegroup": 142
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{
"id": "mp-1021709",
"created_at": "2022-09-04T14:40:22.365630Z",
"structure_string": "Mg12 V2 Sn2\n1.0\n5.088289 0.000000 0.000000\n0.000000 6.090275 0.000000\n0.000000 0.000000 11.051760\nMg V Sn\n12 2 2\ndirect\n0.500000 0.249197 0.417301 Mg\n0.500000 0.750803 0.417301 Mg\n0.000000 0.760137 0.083202 Mg\n0.000000 0.239863 0.083202 Mg\n0.000000 0.000000 0.328038 Mg\n0.000000 0.500000 0.335619 Mg\n0.500000 0.749197 0.917301 Mg\n0.500000 0.250803 0.917301 Mg\n0.000000 0.260137 0.583202 Mg\n0.000000 0.739863 0.583202 Mg\n0.000000 0.500000 0.828038 Mg\n0.000000 0.000000 0.835619 Mg\n0.500000 0.000000 0.167701 V\n0.500000 0.500000 0.667701 V\n0.500000 0.500000 0.167632 Sn\n0.500000 0.000000 0.667632 Sn\n",
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"volume": 342.4838669282482,
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"formula_full": "Mg12 V2 Sn2",
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"spacegroup": 38
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{
"id": "mp-631497",
"created_at": "2022-09-04T14:41:55.807309Z",
"structure_string": "Be1 In1 Bi1\n1.0\n0.000000 3.509695 3.509695\n3.509695 0.000000 3.509695\n3.509695 3.509695 0.000000\nBe In Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Bi\n",
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{
"id": "mp-1185703",
"created_at": "2022-09-04T14:46:25.158318Z",
"structure_string": "Mg16 Al12 Rh1\n1.0\n7.510151 -4.335988 3.066006\n-0.058949 8.501806 2.969744\n-7.392254 -4.199852 2.969744\nMg Al Rh\n16 12 1\ndirect\n0.002215 0.352893 0.000000 Mg\n0.988096 0.000000 0.000000 Mg\n0.570987 0.259931 0.000000 Mg\n0.318116 0.592446 0.000000 Mg\n0.570987 0.000000 0.259931 Mg\n0.681596 0.673387 0.274678 Mg\n0.008208 0.601290 0.326613 Mg\n0.002215 0.999999 0.352893 Mg\n0.406919 0.725324 0.398711 Mg\n0.725671 0.407554 0.407555 Mg\n0.318116 0.000001 0.592446 Mg\n0.008208 0.326612 0.601290 Mg\n0.649321 0.647107 0.647107 Mg\n0.681595 0.274678 0.673387 Mg\n0.406919 0.398711 0.725322 Mg\n0.311056 0.740069 0.740069 Mg\n0.810585 0.609038 0.000000 Al\n0.652941 0.809367 0.000000 Al\n0.183804 0.818355 0.179314 Al\n0.365449 0.360960 0.181644 Al\n0.843573 0.190634 0.190634 Al\n0.365449 0.181644 0.360960 Al\n0.201547 0.390963 0.390963 Al\n0.810585 0.999999 0.609038 Al\n0.004489 0.820686 0.639042 Al\n0.652941 0.000000 0.809366 Al\n0.183803 0.179314 0.818355 Al\n0.004490 0.639042 0.820686 Al\n0.270122 0.000000 0.000000 Rh\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Rh"
],
"chemical_system": "Al-Mg-Rh",
"density": 2.371067319800109,
"density_atomic": 0.05077322591660995,
"volume": 571.1671747552472,
"volume_molar": 11.86085904781937,
"formula_full": "Mg16 Al12 Rh1",
"formula_reduced": "Mg16Al12Rh",
"formula_anonymous": "AB12C16",
"energy": -79.75105052,
"energy_per_atom": -2.7500362248275865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.75105052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.193000Z",
"spacegroup": 160
}
]
}