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{
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"results": [
{
"id": "mp-1187945",
"created_at": "2022-09-04T14:39:34.167005Z",
"structure_string": "Yb3 Cd1\n1.0\n0.000000 3.959035 3.959035\n3.959035 0.000000 3.959035\n3.959035 3.959035 0.000000\nYb Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Cd\n",
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"volume": 124.10749766010875,
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{
"id": "mp-867144",
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"structure_string": "Ca1 Mg1 Hg2\n1.0\n0.000000 3.651306 3.651306\n3.651306 0.000000 3.651306\n3.651306 3.651306 0.000000\nCa Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"elements": [
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"density": 7.940591736320174,
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"formula_full": "Ca1 Mg1 Hg2",
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"updated_at": "2021-11-28T01:35:23.699000Z",
"spacegroup": 225
},
{
"id": "mp-1096481",
"created_at": "2022-09-04T14:41:50.142266Z",
"structure_string": "Mg1 Zn2 Ru1\n1.0\n-5.308028 5.864062 9.805868\n5.308028 -5.864062 9.805868\n5.308028 5.864062 -9.805868\nMg Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.266702 0.266702 Zn\n0.000000 0.733298 0.733298 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.3484484717746915,
"density_atomic": 0.0032762889623982605,
"volume": 1220.8935310370118,
"volume_molar": 183.80981742195783,
"formula_full": "Mg1 Zn2 Ru1",
"formula_reduced": "MgZn2Ru",
"formula_anonymous": "ABC2",
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"energy_per_atom": -1.4713040725,
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"energy_uncorrected": -5.88521629,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2471436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.925000Z",
"spacegroup": 71
},
{
"id": "mp-1063280",
"created_at": "2022-09-04T14:43:57.718362Z",
"structure_string": "La1 Hg2\n1.0\n2.785284 -4.824253 0.000000\n2.785284 4.824253 0.000000\n0.000000 0.000000 3.594469\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.944869 Hg\n0.333333 0.666667 0.055131 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 9.284259975059598,
"density_atomic": 0.03105681797451319,
"volume": 96.59714663820206,
"volume_molar": 19.39072046898712,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -5.88356532,
"energy_per_atom": -1.96118844,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.002848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.011000Z",
"spacegroup": 164
},
{
"id": "mp-2443",
"created_at": "2022-09-04T14:46:02.210565Z",
"structure_string": "Dy1 Hg1\n1.0\n3.729064 0.000000 0.000000\n0.000000 3.729064 0.000000\n0.000000 0.000000 3.729064\nDy Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Hg"
],
"chemical_system": "Dy-Hg",
"density": 11.626898320203109,
"density_atomic": 0.03856829894002461,
"volume": 51.85605937949422,
"volume_molar": 15.614224442111622,
"formula_full": "Dy1 Hg1",
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"formula_anonymous": "AB",
"energy": -5.88311019,
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"energy_above_hull": null,
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"energy_uncorrected": -5.88311019,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.930000Z",
"spacegroup": 221
},
{
"id": "mp-1096260",
"created_at": "2022-09-04T14:46:05.069323Z",
"structure_string": "Li2 In1 Pb1\n1.0\n-5.742488 5.819797 8.290064\n5.742488 -5.819797 8.290064\n5.742488 5.819797 -8.290064\nLi In Pb\n2 1 1\ndirect\n0.000000 0.256150 0.256150 Li\n0.000000 0.743850 0.743850 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
"Pb"
],
"chemical_system": "In-Li-Pb",
"density": 0.503307374756521,
"density_atomic": 0.0036093931019675913,
"volume": 1108.219550211773,
"volume_molar": 166.84635310897963,
"formula_full": "Li2 In1 Pb1",
"formula_reduced": "Li2InPb",
"formula_anonymous": "ABC2",
"energy": -5.87968155,
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"energy_above_hull": null,
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"energy_uncorrected": -5.87968155,
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"total_magnetization": 2.7655764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.249000Z",
"spacegroup": 71
},
{
"id": "mp-1097924",
"created_at": "2022-09-04T14:47:28.084813Z",
"structure_string": "Mg1 Sb1\n1.0\n1.848186 -3.201151 0.000000\n1.848186 3.201151 0.000000\n0.000000 0.000000 4.338052\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.7251834545817735,
"density_atomic": 0.03896309162379515,
"volume": 51.33062897859419,
"volume_molar": 15.456013650421463,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -6.07080889,
"energy_per_atom": -3.035404445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.87880889,
"band_gap": 0.0,
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"total_magnetization": 0.0004663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.245000Z",
"spacegroup": 187
},
{
"id": "mp-570354",
"created_at": "2022-09-04T14:43:21.791029Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.682763 2.682763\n2.682763 0.000000 2.682763\n2.682763 2.682763 0.000000\nCu Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 6.168402866283765,
"density_atomic": 0.051790854427306375,
"volume": 38.61685662682394,
"volume_molar": 11.627807315773627,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.41031488,
"energy_per_atom": -3.20515744,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.87631488,
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"updated_at": "2021-11-28T01:36:15.985000Z",
"spacegroup": 225
},
{
"id": "mp-1183935",
"created_at": "2022-09-04T14:42:05.629127Z",
"structure_string": "Cs1 Ca3\n1.0\n0.000000 4.659316 4.659316\n4.659316 0.000000 4.659316\n4.659316 4.659316 0.000000\nCs Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ca"
],
"chemical_system": "Ca-Cs",
"density": 2.0778416141083342,
"density_atomic": 0.019772587145228365,
"volume": 202.30028425821368,
"volume_molar": 30.457019689774373,
"formula_full": "Cs1 Ca3",
"formula_reduced": "CsCa3",
"formula_anonymous": "AB3",
"energy": -5.87196703,
"energy_per_atom": -1.4679917575,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:30.517000Z",
"spacegroup": 225
},
{
"id": "mp-866286",
"created_at": "2022-09-04T14:39:37.949432Z",
"structure_string": "Ac1 Mg1\n1.0\n4.115365 0.000000 0.000000\n0.000000 4.115365 0.000000\n0.000000 0.000000 4.115365\nAc Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"density": 5.987219052127263,
"density_atomic": 0.028694913276953737,
"volume": 69.69876440108624,
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"formula_full": "Ac1 Mg1",
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"energy": -5.87143287,
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"updated_at": "2021-11-28T01:34:32.008000Z",
"spacegroup": 221
},
{
"id": "mp-1097139",
"created_at": "2022-09-04T14:42:28.472192Z",
"structure_string": "Zn1 Ga1 Ag2\n1.0\n-5.108586 5.384880 7.613199\n5.108586 -5.384880 7.613199\n5.108586 5.384880 -7.613199\nZn Ga Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n0.000000 0.250816 0.250816 Ag\n0.000000 0.749184 0.749184 Ag\n",
"nsites": 4,
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"density": 0.6954876815112087,
"density_atomic": 0.00477480983337792,
"volume": 837.7296980579887,
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"formula_full": "Zn1 Ga1 Ag2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:49.804000Z",
"spacegroup": 71
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{
"id": "mp-1039426",
"created_at": "2022-09-04T14:45:27.618702Z",
"structure_string": "Mg3 Cd1\n1.0\n-1.602490 2.688026 5.155166\n1.602490 -2.688026 5.155166\n1.602490 2.688026 -5.155166\nMg Cd\n3 1\ndirect\n0.835229 0.500000 0.335229 Mg\n0.251025 0.251332 0.999693 Mg\n0.748360 0.748668 0.999693 Mg\n0.332052 0.000000 0.332052 Cd\n",
"nsites": 4,
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"elements": [
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"density": 3.4646072568424797,
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"volume": 88.82422746443586,
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"formula_full": "Mg3 Cd1",
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"updated_at": "2021-11-28T01:36:59.774000Z",
"spacegroup": 44
}
]
}