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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=134",
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"results": [
{
"id": "mp-867173",
"created_at": "2022-09-04T14:39:05.512938Z",
"structure_string": "Sr1 In1 Hg2\n1.0\n0.000000 3.823966 3.823966\n3.823966 0.000000 3.823966\n3.823966 3.823966 0.000000\nSr In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"density": 8.96270737489626,
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"volume": 111.83353738741918,
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"spacegroup": 225
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{
"id": "mp-1095900",
"created_at": "2022-09-04T14:48:16.749763Z",
"structure_string": "Zn1 Ag1 Au2\n1.0\n-5.086627 5.579415 7.889791\n5.086627 -5.579415 7.889791\n5.086627 5.579415 -7.889791\nZn Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.237905 0.237905 Au\n0.000000 0.762095 0.762095 Au\n",
"nsites": 4,
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"elements": [
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"density": 1.0515966333511628,
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"volume": 895.6617921330558,
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"updated_at": "2021-11-28T01:38:49.849000Z",
"spacegroup": 71
},
{
"id": "mp-1096165",
"created_at": "2022-09-04T14:48:04.309566Z",
"structure_string": "Y2 Mg1 Cd1\n1.0\n-6.244110 6.405315 8.802854\n6.244110 -6.405315 8.802854\n6.244110 6.405315 -8.802854\nY Mg Cd\n2 1 1\ndirect\n0.260024 0.000000 0.260024 Y\n0.739976 0.000000 0.739976 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Mg-Y",
"density": 0.3708629673149333,
"density_atomic": 0.0028403081733197034,
"volume": 1408.297887382012,
"volume_molar": 212.0242027456276,
"formula_full": "Y2 Mg1 Cd1",
"formula_reduced": "Y2MgCd",
"formula_anonymous": "ABC2",
"energy": -6.69159209,
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"energy_uncorrected": -6.69159209,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.470000Z",
"spacegroup": 71
},
{
"id": "mp-1094274",
"created_at": "2022-09-04T14:41:06.588916Z",
"structure_string": "Sr2 Mg2\n1.0\n1.994601 6.662419 0.000000\n-1.994601 6.662419 0.000000\n0.000000 2.276520 5.605804\nSr Mg\n2 2\ndirect\n0.605363 0.605363 0.670676 Sr\n0.394637 0.394637 0.329324 Sr\n0.843467 0.843467 0.875616 Mg\n0.156533 0.156533 0.124384 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4948837650024474,
"density_atomic": 0.02684751613647649,
"volume": 148.98957429307148,
"volume_molar": 22.43090470413385,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -6.69348718,
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"energy_above_hull": null,
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"energy_uncorrected": -6.69348718,
"band_gap": 0.0,
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"total_magnetization": 0.0017077,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.741000Z",
"spacegroup": 12
},
{
"id": "mp-1097220",
"created_at": "2022-09-04T14:46:11.526369Z",
"structure_string": "Sc2 Zn1 Hg1\n1.0\n-5.723503 6.047359 8.444649\n5.723503 -6.047359 8.444649\n5.723503 6.047359 -8.444649\nSc Zn Hg\n2 1 1\ndirect\n0.000000 0.247925 0.247925 Sc\n0.000000 0.752075 0.752075 Sc\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Sc-Zn",
"density": 0.5054998525850921,
"density_atomic": 0.0034212966419685862,
"volume": 1169.1473784916916,
"volume_molar": 176.01925206154908,
"formula_full": "Sc2 Zn1 Hg1",
"formula_reduced": "Sc2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.69662813,
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"energy_above_hull": null,
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"energy_uncorrected": -6.69662813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7941917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.727000Z",
"spacegroup": 71
},
{
"id": "mp-1094880",
"created_at": "2022-09-04T14:43:05.572896Z",
"structure_string": "Sr2 Mg2\n1.0\n4.009475 0.000000 0.000000\n0.000000 5.981249 0.000000\n0.000000 0.000000 6.116758\nSr Mg\n2 2\ndirect\n0.500000 0.250000 0.287429 Sr\n0.500000 0.750000 0.712571 Sr\n0.000000 0.750000 0.189464 Mg\n0.000000 0.250000 0.810536 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.533993550143777,
"density_atomic": 0.02726837766213356,
"volume": 146.69006163702326,
"volume_molar": 22.084704981780753,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -6.70377698,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.70377698,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.0005075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.783000Z",
"spacegroup": 51
},
{
"id": "mp-1096733",
"created_at": "2022-09-04T14:40:13.317856Z",
"structure_string": "Li2 In1 Bi1\n1.0\n-5.714559 5.823070 8.249197\n5.714559 -5.823070 8.249197\n5.714559 5.823070 -8.249197\nLi In Bi\n2 1 1\ndirect\n0.000000 0.257740 0.257740 Li\n0.000000 0.742260 0.742260 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Bi"
],
"chemical_system": "Bi-In-Li",
"density": 0.5106796508156266,
"density_atomic": 0.0036429532084682917,
"volume": 1098.0102601103217,
"volume_molar": 165.30930855771427,
"formula_full": "Li2 In1 Bi1",
"formula_reduced": "Li2InBi",
"formula_anonymous": "ABC2",
"energy": -6.70619587,
"energy_per_atom": -1.6765489675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.70619587,
"band_gap": 0.0009000000000001,
"is_gap_direct": true,
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"total_magnetization": 2.0000892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.329000Z",
"spacegroup": 71
},
{
"id": "mp-2818",
"created_at": "2022-09-04T14:41:27.282693Z",
"structure_string": "Yb1 Au1\n1.0\n3.579988 0.000000 0.000000\n0.000000 3.579988 0.000000\n0.000000 0.000000 3.579988\nYb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Yb",
"density": 13.391024950590904,
"density_atomic": 0.04358984080685273,
"volume": 45.88225061114657,
"volume_molar": 13.815468578296034,
"formula_full": "Yb1 Au1",
"formula_reduced": "YbAu",
"formula_anonymous": "AB",
"energy": -6.71021751,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:18.901000Z",
"spacegroup": 221
},
{
"id": "mp-865790",
"created_at": "2022-09-04T14:47:06.586178Z",
"structure_string": "Yb1 In1 Hg2\n1.0\n0.000000 3.664617 3.664617\n3.664617 0.000000 3.664617\n3.664617 3.664617 0.000000\nYb In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-In-Yb",
"density": 11.624559361883959,
"density_atomic": 0.04063911295135137,
"volume": 98.42734522252873,
"volume_molar": 14.818583189079538,
"formula_full": "Yb1 In1 Hg2",
"formula_reduced": "YbInHg2",
"formula_anonymous": "ABC2",
"energy": -6.71094764,
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"updated_at": "2021-11-28T01:37:58.654000Z",
"spacegroup": 225
},
{
"id": "mp-1097222",
"created_at": "2022-09-04T14:41:13.300538Z",
"structure_string": "Sr1 Sc1 Tl2\n1.0\n-6.157856 7.008592 9.867788\n6.157856 -7.008592 9.867788\n6.157856 7.008592 -9.867788\nSr Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.232782 0.232782 Tl\n0.000000 0.767218 0.767218 Tl\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Sc-Sr-Tl",
"density": 0.5276927435283836,
"density_atomic": 0.002348117807275922,
"volume": 1703.4920426928854,
"volume_molar": 256.46672161591215,
"formula_full": "Sr1 Sc1 Tl2",
"formula_reduced": "SrScTl2",
"formula_anonymous": "ABC2",
"energy": -6.71197139,
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"updated_at": "2021-11-28T01:35:19.221000Z",
"spacegroup": 71
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{
"id": "mp-1016235",
"created_at": "2022-09-04T14:46:42.629756Z",
"structure_string": "Ca1 Mg3\n1.0\n3.529273 0.000000 0.000000\n0.000000 5.374360 0.000000\n0.000000 0.000000 5.797461\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.173399 Ca\n0.500000 0.000000 0.663132 Mg\n0.500000 0.500000 0.344011 Mg\n0.000000 0.500000 0.819457 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.7062819370963764,
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"volume": 109.96382641876134,
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"formula_full": "Ca1 Mg3",
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"energy": -6.71399218,
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"updated_at": "2021-11-28T01:37:38.445000Z",
"spacegroup": 25
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{
"id": "mp-1097554",
"created_at": "2022-09-04T14:42:25.468781Z",
"structure_string": "Zn2 Ag1 Rh1\n1.0\n-4.928400 5.456719 7.675994\n4.928400 -5.456719 7.675994\n4.928400 5.456719 -7.675994\nZn Ag Rh\n2 1 1\ndirect\n0.000000 0.243744 0.243744 Zn\n0.000000 0.756256 0.756256 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
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"density": 0.6869486120981997,
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"volume": 825.7187694779443,
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"formula_full": "Zn2 Ag1 Rh1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:44.311000Z",
"spacegroup": 71
}
]
}