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{
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{
"id": "mp-1096693",
"created_at": "2022-09-04T14:41:15.284864Z",
"structure_string": "Li1 Sb1 Au2\n1.0\n-5.184060 5.582091 7.891427\n5.184060 -5.582091 7.891427\n5.184060 5.582091 -7.891427\nLi Sb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sb\n0.000000 0.246306 0.246306 Au\n0.000000 0.753694 0.753694 Au\n",
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"volume": 913.4451332709308,
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{
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"elements": [
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],
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"volume": 912.5250312332839,
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"updated_at": "2021-11-28T01:37:44.132000Z",
"spacegroup": 71
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{
"id": "mp-1096047",
"created_at": "2022-09-04T14:48:20.703750Z",
"structure_string": "Sc1 Cu1 Au2\n1.0\n-5.003698 5.680559 8.023472\n5.003698 -5.680559 8.023472\n5.003698 5.680559 -8.023472\nSc Cu Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Cu\n0.000000 0.252989 0.252989 Au\n0.000000 0.747011 0.747011 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Cu-Sc",
"density": 0.9145859561535383,
"density_atomic": 0.004384857598592425,
"volume": 912.2303085245078,
"volume_molar": 137.33948308682037,
"formula_full": "Sc1 Cu1 Au2",
"formula_reduced": "ScCuAu2",
"formula_anonymous": "ABC2",
"energy": -11.49544839,
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"energy_uncorrected": -11.49544839,
"band_gap": 0.0318999999999998,
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"updated_at": "2021-11-28T01:38:56.665000Z",
"spacegroup": 71
},
{
"id": "mp-1097560",
"created_at": "2022-09-04T14:43:07.513809Z",
"structure_string": "Al2 Os1 Ru1\n1.0\n-4.860174 5.645070 8.308155\n4.860174 -5.645070 8.308155\n4.860174 5.645070 -8.308155\nAl Os Ru\n2 1 1\ndirect\n0.000000 0.250002 0.250002 Al\n0.000000 0.749998 0.749998 Al\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Os",
"Ru"
],
"chemical_system": "Al-Os-Ru",
"density": 0.6288014048610701,
"density_atomic": 0.004387066931311849,
"volume": 911.7709081324397,
"volume_molar": 137.27031874116452,
"formula_full": "Al2 Os1 Ru1",
"formula_reduced": "Al2OsRu",
"formula_anonymous": "ABC2",
"energy": -15.67301548,
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"energy_uncorrected": -15.67301548,
"band_gap": 0.0205999999999999,
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"updated_at": "2021-11-28T01:36:05.688000Z",
"spacegroup": 71
},
{
"id": "mp-1097169",
"created_at": "2022-09-04T14:43:21.605533Z",
"structure_string": "Mg1 Cd1 Pd2\n1.0\n-5.105923 5.617881 7.943813\n5.105923 -5.617881 7.943813\n5.105923 5.617881 -7.943813\nMg Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.240745 0.240745 Pd\n0.000000 0.759255 0.759255 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Mg-Pd",
"density": 0.6368395961809087,
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"volume": 911.4561931220421,
"volume_molar": 137.22293728886703,
"formula_full": "Mg1 Cd1 Pd2",
"formula_reduced": "MgCdPd2",
"formula_anonymous": "ABC2",
"energy": -7.94995566,
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"energy_uncorrected": -7.94995566,
"band_gap": 0.6165000000000003,
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"total_magnetization": 1.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.899000Z",
"spacegroup": 71
},
{
"id": "mp-1096108",
"created_at": "2022-09-04T14:47:25.195170Z",
"structure_string": "Zr2 Mo1 Pt1\n1.0\n-4.694118 5.815105 8.343651\n4.694118 -5.815105 8.343651\n4.694118 5.815105 -8.343651\nZr Mo Pt\n2 1 1\ndirect\n0.000000 0.235815 0.235815 Zr\n0.000000 0.764185 0.764185 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Mo",
"Pt"
],
"chemical_system": "Mo-Pt-Zr",
"density": 0.8630097723308455,
"density_atomic": 0.004390685259553202,
"volume": 911.0195250950513,
"volume_molar": 137.1571953807688,
"formula_full": "Zr2 Mo1 Pt1",
"formula_reduced": "Zr2MoPt",
"formula_anonymous": "ABC2",
"energy": -21.58298468,
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"is_stable": null,
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"energy_uncorrected": -21.58298468,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.249000Z",
"spacegroup": 71
},
{
"id": "mp-1093834",
"created_at": "2022-09-04T14:46:09.776090Z",
"structure_string": "La2 Zn1 Cu1\n1.0\n-5.374953 5.382657 7.867571\n5.374953 -5.382657 7.867571\n5.374953 5.382657 -7.867571\nLa Zn Cu\n2 1 1\ndirect\n0.231542 0.000000 0.231542 La\n0.768458 0.000000 0.768458 La\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
"La",
"Zn",
"Cu"
],
"chemical_system": "Cu-La-Zn",
"density": 0.7418594597231865,
"density_atomic": 0.004393270579276604,
"volume": 910.4834149911705,
"volume_molar": 137.0764821180581,
"formula_full": "La2 Zn1 Cu1",
"formula_reduced": "La2ZnCu",
"formula_anonymous": "ABC2",
"energy": -7.22136411,
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"energy_above_hull": null,
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"energy_uncorrected": -7.22136411,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.702000Z",
"spacegroup": 71
},
{
"id": "mp-1093594",
"created_at": "2022-09-04T14:47:34.612834Z",
"structure_string": "Cd2 Rh1 Au1\n1.0\n-5.330328 5.495412 7.770641\n5.330328 -5.495412 7.770641\n5.330328 5.495412 -7.770641\nCd Rh Au\n2 1 1\ndirect\n0.000000 0.248731 0.248731 Cd\n0.000000 0.751269 0.751269 Cd\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Rh",
"Au"
],
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"density": 0.9569389331003977,
"density_atomic": 0.004393280805959578,
"volume": 910.4812955670659,
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"formula_full": "Cd2 Rh1 Au1",
"formula_reduced": "Cd2RhAu",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -7.06797901,
"band_gap": 0.4546000000000001,
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"updated_at": "2021-11-28T01:38:17.149000Z",
"spacegroup": 71
},
{
"id": "mp-1095963",
"created_at": "2022-09-04T14:44:02.388472Z",
"structure_string": "Hf2 Mn1 Zn1\n1.0\n-5.134942 5.488376 8.072202\n5.134942 -5.488376 8.072202\n5.134942 5.488376 -8.072202\nHf Mn Zn\n2 1 1\ndirect\n0.000000 0.207376 0.207376 Hf\n0.000000 0.792624 0.792624 Hf\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mn",
"Zn"
],
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"density": 0.8710312324133267,
"density_atomic": 0.004395705413894619,
"volume": 909.9790871690781,
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"formula_full": "Hf2 Mn1 Zn1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:19.363000Z",
"spacegroup": 71
},
{
"id": "mp-1096416",
"created_at": "2022-09-04T14:40:05.903758Z",
"structure_string": "Li2 Mg1 Au1\n1.0\n-5.408449 5.498078 7.638034\n5.408449 -5.498078 7.638034\n5.408449 5.498078 -7.638034\nLi Mg Au\n2 1 1\ndirect\n0.724392 0.000000 0.724392 Li\n0.275608 0.000000 0.275608 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.4298089531545937,
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"volume": 908.5005910392708,
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"formula_full": "Li2 Mg1 Au1",
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"updated_at": "2021-11-28T01:34:48.266000Z",
"spacegroup": 71
},
{
"id": "mp-1096422",
"created_at": "2022-09-04T14:40:13.620952Z",
"structure_string": "Ti1 Ag1 Au2\n1.0\n-5.190619 5.610045 7.794729\n5.190619 -5.610045 7.794729\n5.190619 5.610045 -7.794729\nTi Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ag\n0.000000 0.241858 0.241858 Au\n0.000000 0.758142 0.758142 Au\n",
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"volume": 907.917754660633,
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"formula_full": "Ti1 Ag1 Au2",
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"updated_at": "2021-11-28T01:34:50.297000Z",
"spacegroup": 71
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{
"id": "mp-1096697",
"created_at": "2022-09-04T14:45:16.518143Z",
"structure_string": "Y1 Al1 Cu2\n1.0\n-5.243886 5.501022 7.867669\n5.243886 -5.501022 7.867669\n5.243886 5.501022 -7.867669\nY Al Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.232600 0.232600 Cu\n0.000000 0.767400 0.767400 Cu\n",
"nsites": 4,
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"density": 0.4444427611753075,
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"volume": 907.8261643454553,
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"formula_full": "Y1 Al1 Cu2",
"formula_reduced": "YAlCu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:57.614000Z",
"spacegroup": 71
}
]
}