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{
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"results": [
{
"id": "mp-981935",
"created_at": "2022-09-04T14:46:57.888987Z",
"structure_string": "Li5 Mg1\n1.0\n5.225636 -2.636223 0.000000\n5.225636 2.636223 0.000000\n3.895718 0.000000 4.368104\nLi Mg\n5 1\ndirect\n0.167413 0.832587 0.500000 Li\n0.500000 0.167413 0.832587 Li\n0.832587 0.500000 0.167413 Li\n0.333253 0.333253 0.333253 Li\n0.666747 0.666747 0.666747 Li\n0.000000 0.000000 0.000000 Mg\n",
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"elements": [
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"volume": 120.34949307276247,
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{
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"updated_at": "2021-11-28T01:37:42.586000Z",
"spacegroup": 191
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{
"id": "mp-1018797",
"created_at": "2022-09-04T14:46:51.996049Z",
"structure_string": "Mg2 Ag2 Sb2\n1.0\n4.457211 0.000000 0.000000\n0.000000 4.457211 0.000000\n0.000000 0.000000 6.873634\nMg Ag Sb\n2 2 2\ndirect\n0.000000 0.500000 0.700312 Mg\n0.500000 0.000000 0.299688 Mg\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.280164 Sb\n0.500000 0.000000 0.719836 Sb\n",
"nsites": 6,
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"Ag",
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"chemical_system": "Ag-Mg-Sb",
"density": 6.17569426838019,
"density_atomic": 0.04393781536376075,
"volume": 136.55663009929052,
"volume_molar": 13.706054136153003,
"formula_full": "Mg2 Ag2 Sb2",
"formula_reduced": "MgAgSb",
"formula_anonymous": "ABC",
"energy": -18.75280931,
"energy_per_atom": -3.1254682183333333,
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"energy_uncorrected": -18.36880931,
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"updated_at": "2021-11-28T01:37:45.238000Z",
"spacegroup": 129
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{
"id": "mp-23002",
"created_at": "2022-09-04T14:46:52.617179Z",
"structure_string": "Ti2 Br2 O2\n1.0\n3.387106 0.000000 0.000000\n0.000000 4.047891 0.000000\n0.000000 0.000000 8.408613\nTi Br O\n2 2 2\ndirect\n0.000000 0.500000 0.922087 Ti\n0.500000 0.000000 0.077913 Ti\n0.500000 0.500000 0.688513 Br\n0.000000 0.000000 0.311487 Br\n0.000000 0.000000 0.934660 O\n0.500000 0.500000 0.065340 O\n",
"nsites": 6,
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"elements": [
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"Br",
"O"
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"chemical_system": "Br-O-Ti",
"density": 4.141585310924563,
"density_atomic": 0.052043834587415565,
"volume": 115.28743121189666,
"volume_molar": 11.571285643614317,
"formula_full": "Ti2 Br2 O2",
"formula_reduced": "TiBrO",
"formula_anonymous": "ABC",
"energy": -44.1890727,
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"updated_at": "2021-11-28T01:37:40.745000Z",
"spacegroup": 59
},
{
"id": "mp-1217314",
"created_at": "2022-09-04T14:46:51.968545Z",
"structure_string": "Te1 Mo2 Se3\n1.0\n1.692078 -2.930765 0.000000\n1.692078 2.930765 0.000000\n0.000000 0.000000 14.590427\nTe Mo Se\n1 2 3\ndirect\n0.000000 0.000000 0.127254 Te\n0.000000 0.000000 0.748733 Mo\n0.666667 0.333333 0.257114 Mo\n0.666667 0.333333 0.862099 Se\n0.666667 0.333333 0.635166 Se\n0.000000 0.000000 0.369634 Se\n",
"nsites": 6,
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"Se"
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"density": 6.384187343521431,
"density_atomic": 0.04146215561958028,
"volume": 144.71027640363522,
"volume_molar": 14.524427565353298,
"formula_full": "Te1 Mo2 Se3",
"formula_reduced": "TeMo2Se3",
"formula_anonymous": "AB2C3",
"energy": -40.48618366,
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"energy_above_hull": null,
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"energy_uncorrected": -38.64818366,
"band_gap": 0.9492999999999991,
"is_gap_direct": true,
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"total_magnetization": 3.16e-05,
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"updated_at": "2021-11-28T01:37:42.773000Z",
"spacegroup": 156
},
{
"id": "mp-1217318",
"created_at": "2022-09-04T14:46:51.963985Z",
"structure_string": "Th1 Mn3 Ni2\n1.0\n2.508355 -4.344599 0.000000\n2.508355 4.344599 0.000000\n0.000000 0.000000 4.137258\nTh Mn Ni\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n",
"nsites": 6,
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"Mn",
"Ni"
],
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"density": 9.469625517930478,
"density_atomic": 0.06653803199017146,
"volume": 90.17399253537104,
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"formula_full": "Th1 Mn3 Ni2",
"formula_reduced": "ThMn3Ni2",
"formula_anonymous": "AB2C3",
"energy": -46.82134962,
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"energy_above_hull": null,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:37:39.304000Z",
"spacegroup": 191
},
{
"id": "mp-1225754",
"created_at": "2022-09-04T14:46:53.876396Z",
"structure_string": "Dy2 Ga2 Ni2\n1.0\n-4.190520 0.000000 0.000000\n-2.095260 -3.239957 3.629621\n2.095260 3.595359 3.964778\nDy Ga Ni\n2 2 2\ndirect\n0.745944 0.697437 0.189325 Dy\n0.254056 0.302563 0.810675 Dy\n0.576346 0.247292 0.399983 Ga\n0.423654 0.752708 0.600017 Ga\n0.045284 0.111191 0.201758 Ni\n0.954716 0.888809 0.798242 Ni\n",
"nsites": 6,
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"elements": [
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"Ga",
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],
"chemical_system": "Dy-Ga-Ni",
"density": 8.903383211572553,
"density_atomic": 0.055291582350297006,
"volume": 108.51561385939917,
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"formula_full": "Dy2 Ga2 Ni2",
"formula_reduced": "DyGaNi",
"formula_anonymous": "ABC",
"energy": -30.450070929999995,
"energy_per_atom": -5.075011821666666,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:41.553000Z",
"spacegroup": 12
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{
"id": "mp-1024960",
"created_at": "2022-09-04T14:46:38.859757Z",
"structure_string": "Pr2 Sc2 Si2\n1.0\n-2.155463 2.155463 8.011870\n2.155463 -2.155463 8.011870\n2.155463 2.155463 -8.011870\nPr Sc Si\n2 2 2\ndirect\n0.323616 0.323616 0.000000 Pr\n0.676384 0.676384 0.000000 Pr\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.120217 0.120217 0.000000 Si\n0.879783 0.879783 0.000000 Si\n",
"nsites": 6,
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"Sc",
"Si"
],
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"density": 4.772154000075629,
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"volume": 148.89325688475066,
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"formula_full": "Pr2 Sc2 Si2",
"formula_reduced": "PrScSi",
"formula_anonymous": "ABC",
"energy": -36.58921333,
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"spacegroup": 139
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{
"id": "mp-1094279",
"created_at": "2022-09-04T14:46:38.141104Z",
"structure_string": "Sr2 Mg4\n1.0\n1.882584 -9.106269 0.000000\n1.882584 9.106269 0.000000\n0.000000 0.000000 5.592353\nSr Mg\n2 4\ndirect\n0.431037 0.568963 0.250000 Sr\n0.568963 0.431037 0.750000 Sr\n0.126765 0.873235 0.250000 Mg\n0.765171 0.234829 0.250000 Mg\n0.234829 0.765171 0.750000 Mg\n0.873235 0.126765 0.750000 Mg\n",
"nsites": 6,
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"density": 2.35956767775312,
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"volume": 191.74295289409093,
"volume_molar": 19.245050867771084,
"formula_full": "Sr2 Mg4",
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"updated_at": "2021-11-28T01:37:44.078000Z",
"spacegroup": 63
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{
"id": "mp-1216566",
"created_at": "2022-09-04T14:46:52.564033Z",
"structure_string": "Tl2 Pd2 Pb2\n1.0\n0.000000 4.754721 5.044168\n3.015513 0.000000 5.044168\n3.015513 4.754721 0.000000\nTl Pd Pb\n2 2 2\ndirect\n0.333347 0.666653 0.333347 Tl\n0.666653 0.333347 0.666653 Tl\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n0.164671 0.164671 0.835329 Pb\n0.835329 0.835329 0.164671 Pb\n",
"nsites": 6,
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"volume": 144.6457846336984,
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"formula_full": "Tl2 Pd2 Pb2",
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{
"id": "mp-1094552",
"created_at": "2022-09-04T14:46:57.777901Z",
"structure_string": "Mg3 Sb3\n1.0\n2.869265 -4.725637 0.000000\n2.869265 4.725637 0.000000\n0.000000 0.000000 5.723453\nMg Sb\n3 3\ndirect\n0.340957 0.340957 0.000000 Mg\n0.183172 0.828291 0.500000 Mg\n0.828291 0.183172 0.500000 Mg\n0.697233 0.015364 0.000000 Sb\n0.015364 0.697233 0.000000 Sb\n0.435053 0.435053 0.500000 Sb\n",
"nsites": 6,
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"volume": 155.20979862552122,
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"formula_full": "Mg3 Sb3",
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"updated_at": "2021-11-28T01:37:49.080000Z",
"spacegroup": 38
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{
"id": "mp-1219978",
"created_at": "2022-09-04T14:46:38.545828Z",
"structure_string": "Pr1 Ga2 Co3\n1.0\n2.679395 -4.640848 0.000000\n2.679395 4.640848 0.000000\n0.000000 0.000000 3.737016\nPr Ga Co\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
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"elements": [
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"density": 8.168115212489113,
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"volume": 92.93708357337671,
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"formula_full": "Pr1 Ga2 Co3",
"formula_reduced": "PrGa2Co3",
"formula_anonymous": "AB2C3",
"energy": -34.0268843,
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"updated_at": "2021-11-28T01:37:43.699000Z",
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}
]
}