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{
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"results": [
{
"id": "mp-1183122",
"created_at": "2022-09-04T14:39:13.061162Z",
"structure_string": "Ac6 Si2\n1.0\n3.792520 -6.568837 0.000000\n3.792520 6.568837 0.000000\n0.000000 0.000000 5.542074\nAc Si\n6 2\ndirect\n0.181184 0.362367 0.250000 Ac\n0.637633 0.818816 0.250000 Ac\n0.181184 0.818816 0.250000 Ac\n0.818816 0.637633 0.750000 Ac\n0.362367 0.181184 0.750000 Ac\n0.818816 0.181184 0.750000 Ac\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
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"formula_full": "Ac6 Si2",
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{
"id": "mp-866222",
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"structure_string": "Ac2 Si6\n1.0\n3.262432 -5.650698 0.000000\n3.262432 5.650698 0.000000\n0.000000 0.000000 4.637915\nAc Si\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.128079 0.256158 0.250000 Si\n0.743842 0.871921 0.250000 Si\n0.128079 0.871921 0.250000 Si\n0.871921 0.743842 0.750000 Si\n0.256158 0.128079 0.750000 Si\n0.871921 0.128079 0.750000 Si\n",
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"formula_full": "Ac2 Si6",
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"updated_at": "2021-11-28T01:37:24.708000Z",
"spacegroup": 194
},
{
"id": "mp-866289",
"created_at": "2022-09-04T14:48:08.826276Z",
"structure_string": "Ac2 Zn1 Si1\n1.0\n0.000000 3.870578 3.870578\n3.870578 0.000000 3.870578\n3.870578 3.870578 0.000000\nAc Zn Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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"Si"
],
"chemical_system": "Ac-Si-Zn",
"density": 7.839193618600199,
"density_atomic": 0.03449074095350253,
"volume": 115.97315364701669,
"volume_molar": 17.460166391086045,
"formula_full": "Ac2 Zn1 Si1",
"formula_reduced": "Ac2ZnSi",
"formula_anonymous": "ABC2",
"energy": -16.08262298,
"energy_per_atom": -4.020655745,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -16.15362298,
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"updated_at": "2021-11-28T01:38:28.264000Z",
"spacegroup": 225
},
{
"id": "mp-1183260",
"created_at": "2022-09-04T14:45:19.209741Z",
"structure_string": "Ac2 Sm6\n1.0\n3.728425 -6.457822 0.000000\n3.728425 6.457822 0.000000\n0.000000 0.000000 6.092291\nAc Sm\n2 6\ndirect\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n0.162409 0.324818 0.250000 Sm\n0.675182 0.837591 0.250000 Sm\n0.162409 0.837591 0.250000 Sm\n0.837591 0.675182 0.750000 Sm\n0.324818 0.162409 0.750000 Sm\n0.837591 0.162409 0.750000 Sm\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ac-Sm",
"density": 7.6760520613523635,
"density_atomic": 0.02726891576836178,
"volume": 293.3743339103288,
"volume_molar": 22.084269177240518,
"formula_full": "Ac2 Sm6",
"formula_reduced": "AcSm3",
"formula_anonymous": "AB3",
"energy": -36.14965763,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:03.003000Z",
"spacegroup": 194
},
{
"id": "mp-1183230",
"created_at": "2022-09-04T14:44:09.945782Z",
"structure_string": "Ac1 Sm3\n1.0\n-2.624721 2.624721 5.274311\n2.624721 -2.624721 5.274311\n2.624721 2.624721 -5.274311\nAc Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Ac\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ac-Sm",
"density": 7.747079537304917,
"density_atomic": 0.027521238478461836,
"volume": 145.34229639158158,
"volume_molar": 21.881794181293607,
"formula_full": "Ac1 Sm3",
"formula_reduced": "AcSm3",
"formula_anonymous": "AB3",
"energy": -18.08810888,
"energy_per_atom": -4.52202722,
"energy_above_hull": null,
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"energy_uncorrected": -18.08810888,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.627000Z",
"spacegroup": 139
},
{
"id": "mp-985547",
"created_at": "2022-09-04T14:40:36.610897Z",
"structure_string": "Ac6 Sm2\n1.0\n3.931020 -6.808726 0.000000\n3.931020 6.808726 0.000000\n0.000000 0.000000 6.319018\nAc Sm\n6 2\ndirect\n0.168548 0.337096 0.250000 Ac\n0.662904 0.831452 0.250000 Ac\n0.168548 0.831452 0.250000 Ac\n0.831452 0.662904 0.750000 Ac\n0.337096 0.168548 0.750000 Ac\n0.831452 0.168548 0.750000 Ac\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
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"elements": [
"Ac",
"Sm"
],
"chemical_system": "Ac-Sm",
"density": 8.162393338404065,
"density_atomic": 0.0236504434369431,
"volume": 338.2600424101827,
"volume_molar": 25.46311986097112,
"formula_full": "Ac6 Sm2",
"formula_reduced": "Ac3Sm",
"formula_anonymous": "AB3",
"energy": -33.73668209,
"energy_per_atom": -4.21708526125,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.577000Z",
"spacegroup": 194
},
{
"id": "mp-861939",
"created_at": "2022-09-04T14:39:06.453463Z",
"structure_string": "Ac3 Sn1\n1.0\n5.326246 0.000000 0.000000\n0.000000 5.326246 0.000000\n0.000000 0.000000 5.326246\nAc Sn\n3 1\ndirect\n0.000000 0.500000 0.500000 Ac\n0.500000 0.000000 0.500000 Ac\n0.500000 0.500000 0.000000 Ac\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 8.788564836018956,
"density_atomic": 0.026472583581139443,
"volume": 151.09972125462755,
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"formula_full": "Ac3 Sn1",
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"energy": -17.61798988,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:44.999000Z",
"spacegroup": 221
},
{
"id": "mp-1183070",
"created_at": "2022-09-04T14:42:58.283243Z",
"structure_string": "Ac2 Tl1 Sn1\n1.0\n0.000000 4.115931 4.115931\n4.115931 0.000000 4.115931\n4.115931 4.115931 0.000000\nAc Tl Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sn\n",
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"elements": [
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"Tl",
"Sn"
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"density": 9.253116062692524,
"density_atomic": 0.02868307700885247,
"volume": 139.45505214679298,
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"formula_full": "Ac2 Tl1 Sn1",
"formula_reduced": "Ac2TlSn",
"formula_anonymous": "ABC2",
"energy": -16.50065507,
"energy_per_atom": -4.1251637675,
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"energy_uncorrected": -16.50065507,
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"updated_at": "2021-11-28T01:35:56.759000Z",
"spacegroup": 225
},
{
"id": "mp-1183061",
"created_at": "2022-09-04T14:46:18.778777Z",
"structure_string": "Ac2 Zn1 Sn1\n1.0\n0.000000 4.019338 4.019338\n4.019338 0.000000 4.019338\n4.019338 4.019338 0.000000\nAc Zn Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.159380581591696,
"density_atomic": 0.030801112891944316,
"volume": 129.86543746106508,
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"formula_full": "Ac2 Zn1 Sn1",
"formula_reduced": "Ac2ZnSn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:23.288000Z",
"spacegroup": 225
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{
"id": "mp-979014",
"created_at": "2022-09-04T14:39:33.088368Z",
"structure_string": "Sr1 Ac3\n1.0\n-2.868312 2.868312 5.683672\n2.868312 -2.868312 5.683672\n2.868312 2.868312 -5.683672\nSr Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Ac\n0.750000 0.250000 0.500000 Ac\n0.250000 0.750000 0.500000 Ac\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:34:30.906000Z",
"spacegroup": 139
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{
"id": "mp-1187164",
"created_at": "2022-09-04T14:46:26.167978Z",
"structure_string": "Sr2 Ac6\n1.0\n4.072772 -7.054248 0.000000\n4.072772 7.054248 0.000000\n0.000000 0.000000 6.549817\nSr Ac\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164069 0.328138 0.250000 Ac\n0.671862 0.835931 0.250000 Ac\n0.164069 0.835931 0.250000 Ac\n0.835931 0.671862 0.750000 Ac\n0.328138 0.164069 0.750000 Ac\n0.835931 0.164069 0.750000 Ac\n",
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"volume": 376.35698762866645,
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"formula_full": "Sr2 Ac6",
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"updated_at": "2021-11-28T01:37:39.517000Z",
"spacegroup": 194
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{
"id": "mp-1187109",
"created_at": "2022-09-04T14:42:42.717329Z",
"structure_string": "Sr6 Ac2\n1.0\n4.185855 -7.250113 0.000000\n4.185855 7.250113 0.000000\n0.000000 0.000000 6.745702\nSr Ac\n6 2\ndirect\n0.169928 0.339856 0.250000 Sr\n0.660144 0.830072 0.250000 Sr\n0.169928 0.830072 0.250000 Sr\n0.830072 0.660144 0.750000 Sr\n0.339856 0.169928 0.750000 Sr\n0.830072 0.169928 0.750000 Sr\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
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"formula_full": "Sr6 Ac2",
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"updated_at": "2021-11-28T01:36:11.310000Z",
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}
]
}