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{
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"results": [
{
"id": "mp-1096610",
"created_at": "2022-09-04T14:47:21.526960Z",
"structure_string": "Y2 Mg1 Ga1\n1.0\n-6.247762 6.320256 8.923658\n6.247762 -6.320256 8.923658\n6.247762 6.320256 -8.923658\nY Mg Ga\n2 1 1\ndirect\n0.000000 0.275862 0.275862 Y\n0.000000 0.724138 0.724138 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ga\n",
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"volume": 1409.4901843745965,
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"formula_full": "Y2 Mg1 Ga1",
"formula_reduced": "Y2MgGa",
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{
"id": "mp-1097195",
"created_at": "2022-09-04T14:39:06.463512Z",
"structure_string": "Sr1 Ca1 Cd2\n1.0\n-6.700021 7.196469 9.467469\n6.700021 -7.196469 9.467469\n6.700021 7.196469 -9.467469\nSr Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245277 0.000000 0.245277 Cd\n0.754723 0.000000 0.754723 Cd\n",
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"elements": [
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],
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"volume": 1825.9526271917166,
"volume_molar": 274.90359355100804,
"formula_full": "Sr1 Ca1 Cd2",
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"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
},
{
"id": "mp-1093629",
"created_at": "2022-09-04T14:47:59.727004Z",
"structure_string": "Mn1 Al2 Fe1\n1.0\n-5.021962 5.505678 7.706126\n5.021962 -5.505678 7.706126\n5.021962 5.505678 -7.706126\nMn Al Fe\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.257158 0.257158 Al\n0.000000 0.742842 0.742842 Al\n0.000000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-Fe-Mn",
"density": 0.3209844333555849,
"density_atomic": 0.004693314572242307,
"volume": 852.2761341541475,
"volume_molar": 128.31317115662299,
"formula_full": "Mn1 Al2 Fe1",
"formula_reduced": "MnAl2Fe",
"formula_anonymous": "ABC2",
"energy": -15.62109825,
"energy_per_atom": -3.9052745625,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -15.62109825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3333334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.148000Z",
"spacegroup": 71
},
{
"id": "mp-1206918",
"created_at": "2022-09-04T14:46:28.599201Z",
"structure_string": "Tb3 Tl1 Se6\n1.0\n-5.729296 -9.923432 0.000000\n-5.961285 10.057371 0.000000\n0.000000 0.000000 -51.159997\nTb Tl Se\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.000000 0.000000 -0.000000 Tl\n0.000000 0.000000 0.768983 Se\n0.000000 0.000000 0.231017 Se\n0.724735 0.717689 0.000000 Se\n0.275265 0.282311 0.000000 Se\n0.007046 0.282311 -0.000000 Se\n0.992954 0.717689 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Tl",
"Se"
],
"chemical_system": "Se-Tb-Tl",
"density": 0.3210029193728802,
"density_atomic": 0.0016738179730926336,
"volume": 5974.365289866901,
"volume_molar": 359.78468727236674,
"formula_full": "Tb3 Tl1 Se6",
"formula_reduced": "Tb3TlSe6",
"formula_anonymous": "AB3C6",
"energy": -30.05619085,
"energy_per_atom": -3.005619085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -27.22419085,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.967000Z",
"spacegroup": 65
},
{
"id": "mp-1095784",
"created_at": "2022-09-04T14:48:08.884858Z",
"structure_string": "Li1 Al1 Zn2\n1.0\n-5.311388 5.322754 7.526007\n5.311388 -5.322754 7.526007\n5.311388 5.322754 -7.526007\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.249880 0.249880 Zn\n0.000000 0.750120 0.750120 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
"Zn"
],
"chemical_system": "Al-Li-Zn",
"density": 0.32142566175254844,
"density_atomic": 0.004699925339734008,
"volume": 851.0773492896335,
"volume_molar": 128.13268987674647,
"formula_full": "Li1 Al1 Zn2",
"formula_reduced": "LiAlZn2",
"formula_anonymous": "ABC2",
"energy": -3.25380539,
"energy_per_atom": -0.8134513475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.25380539,
"band_gap": 0.1497999999999999,
"is_gap_direct": false,
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"total_magnetization": 1.999738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.739000Z",
"spacegroup": 71
},
{
"id": "mp-1207325",
"created_at": "2022-09-04T14:43:18.321111Z",
"structure_string": "Yb2 S2 Br2\n1.0\n10.886035 0.000000 0.000000\n0.000000 13.595534 0.000000\n0.000000 0.000000 19.805232\nYb S Br\n2 2 2\ndirect\n0.500000 0.500000 0.174426 Yb\n0.500000 0.500000 0.825574 Yb\n0.500000 0.500000 0.051259 S\n0.500000 0.500000 0.948741 S\n0.500000 0.500000 0.693438 Br\n0.500000 0.500000 0.306562 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"S",
"Br"
],
"chemical_system": "Br-S-Yb",
"density": 0.32291761539842817,
"density_atomic": 0.0020469409750059567,
"volume": 2931.2032311935814,
"volume_molar": 294.20197424024286,
"formula_full": "Yb2 S2 Br2",
"formula_reduced": "YbSBr",
"formula_anonymous": "ABC",
"energy": -20.65410792,
"energy_per_atom": -3.44235132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.58010792,
"band_gap": 1.7925999999999995,
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"total_magnetization": 0.000177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.404000Z",
"spacegroup": 47
},
{
"id": "mp-1095981",
"created_at": "2022-09-04T14:42:22.932092Z",
"structure_string": "Na1 Mg1 Cd2\n1.0\n-6.170359 6.331766 8.953741\n6.170359 -6.331766 8.953741\n6.170359 6.331766 -8.953741\nNa Mg Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250342 0.250342 Cd\n0.000000 0.749658 0.749658 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Na",
"density": 0.32292717663534454,
"density_atomic": 0.0028586447189492066,
"volume": 1399.2644743451497,
"volume_molar": 210.6641906243475,
"formula_full": "Na1 Mg1 Cd2",
"formula_reduced": "NaMgCd2",
"formula_anonymous": "ABC2",
"energy": -1.71110916,
"energy_per_atom": -0.42777729,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.71110916,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.610000Z",
"spacegroup": 71
},
{
"id": "mp-1207366",
"created_at": "2022-09-04T14:41:17.060723Z",
"structure_string": "Tb2 Sb3 Pd1\n1.0\n10.272873 0.000000 0.000000\n0.000000 10.272873 0.000000\n0.000000 0.000000 38.469568\nTb Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.241620 Tb\n0.500000 0.500000 0.758380 Tb\n0.500000 0.500000 0.689606 Sb\n0.500000 0.500000 0.310394 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Tb",
"density": 0.3229445596575601,
"density_atomic": 0.0014779171976716365,
"volume": 4059.7673600744442,
"volume_molar": 407.47484158703185,
"formula_full": "Tb2 Sb3 Pd1",
"formula_reduced": "Tb2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy": -12.550528630000002,
"energy_per_atom": -2.091754771666667,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:35:17.471000Z",
"spacegroup": 123
},
{
"id": "mp-1097676",
"created_at": "2022-09-04T14:47:55.581283Z",
"structure_string": "Li2 In1 Ga1\n1.0\n-5.632012 5.699566 7.937797\n5.632012 -5.699566 7.937797\n5.632012 5.699566 -7.937797\nLi In Ga\n2 1 1\ndirect\n0.243624 0.000000 0.243624 Li\n0.756376 0.000000 0.756376 Li\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Ga"
],
"chemical_system": "Ga-In-Li",
"density": 0.32327771740660316,
"density_atomic": 0.003924593256763273,
"volume": 1019.2139002192848,
"volume_molar": 153.4462392917282,
"formula_full": "Li2 In1 Ga1",
"formula_reduced": "Li2InGa",
"formula_anonymous": "ABC2",
"energy": -5.043159,
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"energy_above_hull": null,
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"energy_uncorrected": -5.043159,
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"updated_at": "2021-11-28T01:38:21.761000Z",
"spacegroup": 71
},
{
"id": "mp-1206726",
"created_at": "2022-09-04T14:42:01.320940Z",
"structure_string": "Tb2 Ag1 Sb3\n1.0\n10.262590 0.000000 0.000000\n0.000000 10.262590 0.000000\n0.000000 0.000000 38.551178\nTb Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.241815 Tb\n0.500000 0.500000 0.758185 Tb\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.689723 Sb\n0.500000 0.500000 0.310277 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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"Ag",
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],
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"density": 0.3234993156058042,
"density_atomic": 0.0014777454798091828,
"volume": 4060.239115584887,
"volume_molar": 407.522191221835,
"formula_full": "Tb2 Ag1 Sb3",
"formula_reduced": "Tb2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -11.42385959,
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"updated_at": "2021-11-28T01:35:41.612000Z",
"spacegroup": 123
},
{
"id": "mp-1096403",
"created_at": "2022-09-04T14:41:05.401929Z",
"structure_string": "Ca2 Mg1 Hg1\n1.0\n-6.281515 6.990040 8.888740\n6.281515 -6.990040 8.888740\n6.281515 6.990040 -8.888740\nCa Mg Hg\n2 1 1\ndirect\n0.741281 0.000000 0.741281 Ca\n0.258719 0.000000 0.258719 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Ca-Hg-Mg",
"density": 0.32447205095369036,
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"volume": 1561.1486453657385,
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"formula_full": "Ca2 Mg1 Hg1",
"formula_reduced": "Ca2MgHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:16.725000Z",
"spacegroup": 71
},
{
"id": "mp-1093776",
"created_at": "2022-09-04T14:46:23.513270Z",
"structure_string": "Mg2 Zn1 Cu1\n1.0\n-5.355569 5.477214 7.735315\n5.355569 -5.477214 7.735315\n5.355569 5.477214 -7.735315\nMg Zn Cu\n2 1 1\ndirect\n0.000000 0.237343 0.237343 Mg\n0.000000 0.762657 0.762657 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"density": 0.3248651609008015,
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"volume": 907.618467130316,
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"formula_full": "Mg2 Zn1 Cu1",
"formula_reduced": "Mg2ZnCu",
"formula_anonymous": "ABC2",
"energy": -3.7478223,
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"total_magnetization": 6.58e-05,
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"updated_at": "2021-11-28T01:37:32.858000Z",
"spacegroup": 71
}
]
}