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{
"id": "mp-978953",
"created_at": "2022-09-04T14:43:53.109184Z",
"structure_string": "Sr1 Ac1 Tl2\n1.0\n0.000000 4.130028 4.130028\n4.130028 0.000000 4.130028\n4.130028 4.130028 0.000000\nSr Ac Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
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"formula_full": "Sr1 Ac1 Tl2",
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{
"id": "mp-978929",
"created_at": "2022-09-04T14:43:44.356307Z",
"structure_string": "Sr1 Ac1 Zn2\n1.0\n0.000000 3.915575 3.915575\n3.915575 0.000000 3.915575\n3.915575 3.915575 0.000000\nSr Ac Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"formula_full": "Sr1 Ac1 Zn2",
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"updated_at": "2021-11-28T01:36:12.719000Z",
"spacegroup": 225
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{
"id": "mp-1183099",
"created_at": "2022-09-04T14:46:07.624817Z",
"structure_string": "Ac6 Tb2\n1.0\n3.906705 -6.766611 0.000000\n3.906705 6.766611 0.000000\n0.000000 0.000000 6.367171\nAc Tb\n6 2\ndirect\n0.169335 0.338671 0.250000 Ac\n0.661329 0.830665 0.250000 Ac\n0.169335 0.830665 0.250000 Ac\n0.830665 0.661329 0.750000 Ac\n0.338671 0.169335 0.750000 Ac\n0.830665 0.169335 0.750000 Ac\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"chemical_system": "Ac-Tb",
"density": 8.286315100881167,
"density_atomic": 0.023764662388849115,
"volume": 336.63427946503333,
"volume_molar": 25.340737694745105,
"formula_full": "Ac6 Tb2",
"formula_reduced": "Ac3Tb",
"formula_anonymous": "AB3",
"energy": -33.47437323,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:23.435000Z",
"spacegroup": 194
},
{
"id": "mp-1183217",
"created_at": "2022-09-04T14:47:09.219791Z",
"structure_string": "Ac1 Tb3\n1.0\n-2.604316 2.604316 5.164409\n2.604316 -2.604316 5.164409\n2.604316 2.604316 -5.164409\nAc Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Tb",
"density": 8.34095161754886,
"density_atomic": 0.028549073092548383,
"volume": 140.10962762374388,
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"formula_full": "Ac1 Tb3",
"formula_reduced": "AcTb3",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:55.587000Z",
"spacegroup": 139
},
{
"id": "mp-865558",
"created_at": "2022-09-04T14:41:46.875803Z",
"structure_string": "Ac1 Te3\n1.0\n-2.346792 2.346792 5.835390\n2.346792 -2.346792 5.835390\n2.346792 2.346792 -5.835390\nAc Te\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Te\n0.250000 0.750000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Te",
"density": 7.876938255563177,
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"volume": 128.55207060910016,
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"formula_full": "Ac1 Te3",
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"energy_uncorrected": -17.09535761,
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"updated_at": "2021-11-28T01:35:25.158000Z",
"spacegroup": 139
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{
"id": "mp-865028",
"created_at": "2022-09-04T14:41:02.793648Z",
"structure_string": "Ac1 Tl1 Te2\n1.0\n0.000000 4.072535 4.072535\n4.072535 0.000000 4.072535\n4.072535 4.072535 0.000000\nAc Tl Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Te\n0.250000 0.250000 0.250000 Te\n",
"nsites": 4,
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"elements": [
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"density": 8.439522227806266,
"density_atomic": 0.029609803105063472,
"volume": 135.0903950899955,
"volume_molar": 20.338334363899147,
"formula_full": "Ac1 Tl1 Te2",
"formula_reduced": "AcTlTe2",
"formula_anonymous": "ABC2",
"energy": -17.784869490000002,
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"updated_at": "2021-11-28T01:35:20.934000Z",
"spacegroup": 225
},
{
"id": "mp-1183157",
"created_at": "2022-09-04T14:42:47.294853Z",
"structure_string": "Ac1 Th1\n1.0\n3.742236 0.000000 0.000000\n-1.871117 3.240879 0.000000\n0.000000 0.000000 6.189603\nAc Th\n1 1\ndirect\n0.666665 0.333334 0.750000 Ac\n0.333333 0.666667 0.250001 Th\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ac-Th",
"density": 10.154090026482757,
"density_atomic": 0.02664239189679532,
"volume": 75.06833499587438,
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"formula_full": "Ac1 Th1",
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"updated_at": "2021-11-28T01:35:53.888000Z",
"spacegroup": 187
},
{
"id": "mp-985303",
"created_at": "2022-09-04T14:47:37.858771Z",
"structure_string": "Ac6 Th2\n1.0\n3.889748 -6.737241 0.000000\n3.889748 6.737241 0.000000\n0.000000 0.000000 6.322327\nAc Th\n6 2\ndirect\n0.170661 0.341323 0.250000 Ac\n0.658677 0.829339 0.250000 Ac\n0.170661 0.829339 0.250000 Ac\n0.829339 0.658677 0.750000 Ac\n0.341323 0.170661 0.750000 Ac\n0.829339 0.170661 0.750000 Ac\n0.333333 0.666667 0.750000 Th\n0.666667 0.333333 0.250000 Th\n",
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"updated_at": "2021-11-28T01:38:14.194000Z",
"spacegroup": 194
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{
"id": "mp-1183258",
"created_at": "2022-09-04T14:40:24.957629Z",
"structure_string": "Ac2 Th6\n1.0\n3.660249 -6.339737 0.000000\n3.660249 6.339737 0.000000\n0.000000 0.000000 6.011519\nAc Th\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.161009 0.322018 0.250000 Th\n0.677982 0.838991 0.250000 Th\n0.161009 0.838991 0.250000 Th\n0.838991 0.677982 0.750000 Th\n0.322018 0.161009 0.750000 Th\n0.838991 0.161009 0.750000 Th\n",
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"formula_full": "Ac2 Th6",
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"updated_at": "2021-11-28T01:34:53.650000Z",
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{
"id": "mp-1183108",
"created_at": "2022-09-04T14:42:03.074949Z",
"structure_string": "Ac3 Ti1\n1.0\n-2.626460 2.626460 5.314079\n2.626460 -2.626460 5.314079\n2.626460 2.626460 -5.314079\nAc Ti\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 Ti\n",
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{
"id": "mp-985506",
"created_at": "2022-09-04T14:39:26.480352Z",
"structure_string": "Ac6 Tl2\n1.0\n3.871300 -6.705287 0.000000\n3.871300 6.705287 0.000000\n0.000000 0.000000 6.039322\nAc Tl\n6 2\ndirect\n0.174486 0.348971 0.250000 Ac\n0.651029 0.825514 0.250000 Ac\n0.174486 0.825514 0.250000 Ac\n0.825514 0.651029 0.750000 Ac\n0.348971 0.174486 0.750000 Ac\n0.825514 0.174486 0.750000 Ac\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
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{
"id": "mp-1183192",
"created_at": "2022-09-04T14:48:31.278661Z",
"structure_string": "Ac1 Yb1 Tl2\n1.0\n0.000000 4.035716 4.035716\n4.035716 0.000000 4.035716\n4.035716 4.035716 0.000000\nAc Yb Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Yb\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
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"updated_at": "2021-11-28T01:39:56.022000Z",
"spacegroup": 225
}
]
}