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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10221",
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"results": [
{
"id": "mp-1208954",
"created_at": "2022-09-04T14:39:38.049332Z",
"structure_string": "Sm2 Mn1 Sb2 O1\n1.0\n3.412099 0.000000 0.000000\n0.000000 3.412099 0.000000\n0.000000 0.000000 16.221898\nSm Mn Sb O\n2 1 2 1\ndirect\n0.500000 0.500000 0.627600 Sm\n0.500000 0.500000 0.372400 Sm\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.166915 Sb\n0.500000 0.500000 0.833085 Sb\n0.500000 0.500000 0.500000 O\n",
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"O"
],
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"volume": 188.86214299406606,
"volume_molar": 18.95590682242523,
"formula_full": "Sm2 Mn1 Sb2 O1",
"formula_reduced": "Sm2MnSb2O",
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{
"id": "mp-862365",
"created_at": "2022-09-04T14:44:49.942785Z",
"structure_string": "Sc2 Os1 Pd1\n1.0\n0.000000 3.260084 3.260084\n3.260084 0.000000 3.260084\n3.260084 3.260084 0.000000\nSc Os Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Os-Pd-Sc",
"density": 9.263000609698587,
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"volume": 69.29730844841654,
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"formula_full": "Sc2 Os1 Pd1",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.875000Z",
"spacegroup": 225
},
{
"id": "mp-1220161",
"created_at": "2022-09-04T14:41:04.505851Z",
"structure_string": "Nd2 Al2 Si2\n1.0\n-2.108219 2.108219 7.317325\n2.108219 -2.108219 7.317325\n2.108219 2.108219 -7.317325\nNd Al Si\n2 2 2\ndirect\n0.624264 0.124264 0.500000 Nd\n0.874264 0.874264 0.000000 Nd\n0.458369 0.458369 0.000000 Al\n0.208369 0.708369 0.500000 Al\n0.042367 0.542367 0.500000 Si\n0.292367 0.292367 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Al",
"Si"
],
"chemical_system": "Al-Nd-Si",
"density": 5.088178110659766,
"density_atomic": 0.04612192957254036,
"volume": 130.0899605807521,
"volume_molar": 13.057000901335675,
"formula_full": "Nd2 Al2 Si2",
"formula_reduced": "NdAlSi",
"formula_anonymous": "ABC",
"energy": -31.70195613,
"energy_per_atom": -5.283659355,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -31.84395613,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.591000Z",
"spacegroup": 109
},
{
"id": "mp-20533",
"created_at": "2022-09-04T14:46:57.134846Z",
"structure_string": "Sr2 In4 Pt2\n1.0\n2.274063 -5.519544 0.000000\n2.274063 5.519544 0.000000\n0.000000 0.000000 8.014905\nSr In Pt\n2 4 2\ndirect\n0.937725 0.062275 0.750000 Sr\n0.062275 0.937725 0.250000 Sr\n0.651274 0.348726 0.946297 In\n0.651274 0.348726 0.553703 In\n0.348726 0.651274 0.053703 In\n0.348726 0.651274 0.446297 In\n0.219597 0.780403 0.750000 Pt\n0.780403 0.219597 0.250000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"In",
"Pt"
],
"chemical_system": "In-Pt-Sr",
"density": 8.456746074682583,
"density_atomic": 0.039760873834497036,
"volume": 201.20282147972057,
"volume_molar": 15.14589640325036,
"formula_full": "Sr2 In4 Pt2",
"formula_reduced": "SrIn2Pt",
"formula_anonymous": "ABC2",
"energy": -31.84374294,
"energy_per_atom": -3.9804678675,
"energy_above_hull": null,
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"energy_uncorrected": -31.84374294,
"band_gap": 0.0,
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"total_magnetization": 4.38e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.785000Z",
"spacegroup": 63
},
{
"id": "mp-1040471",
"created_at": "2022-09-04T14:44:05.627832Z",
"structure_string": "Na1 Mo1 O3\n1.0\n3.948882 0.000000 0.000000\n0.000000 3.948882 0.000000\n0.000000 0.000000 3.948882\nNa Mo O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Mo-Na-O",
"density": 4.501484285601487,
"density_atomic": 0.08119841187523591,
"volume": 61.57755902520197,
"volume_molar": 7.416574562139493,
"formula_full": "Na1 Mo1 O3",
"formula_reduced": "NaMoO3",
"formula_anonymous": "ABC3",
"energy": -37.10585903,
"energy_per_atom": -7.421171805999999,
"energy_above_hull": null,
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"energy_uncorrected": -31.84285903,
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"updated_at": "2021-11-28T01:36:28.255000Z",
"spacegroup": 221
},
{
"id": "mp-972794",
"created_at": "2022-09-04T14:46:29.082123Z",
"structure_string": "Si2 Sb6\n1.0\n3.224847 -5.585599 0.000000\n3.224847 5.585599 0.000000\n0.000000 0.000000 5.562229\nSi Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.174630 0.349260 0.250000 Sb\n0.650740 0.825370 0.250000 Sb\n0.174630 0.825370 0.250000 Sb\n0.825370 0.650740 0.750000 Sb\n0.349260 0.174630 0.750000 Sb\n0.825370 0.174630 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Sb"
],
"chemical_system": "Sb-Si",
"density": 6.519550167694571,
"density_atomic": 0.03992383553240566,
"volume": 200.38154884959647,
"volume_molar": 15.084073660988574,
"formula_full": "Si2 Sb6",
"formula_reduced": "SiSb3",
"formula_anonymous": "AB3",
"energy": -32.99263139,
"energy_per_atom": -4.12407892375,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -31.84063139,
"band_gap": 0.0,
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"total_magnetization": 0.0126787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.710000Z",
"spacegroup": 194
},
{
"id": "mp-1184998",
"created_at": "2022-09-04T14:47:16.426606Z",
"structure_string": "Gd1 Cd1 Rh2\n1.0\n0.000000 3.344433 3.344433\n3.344433 0.000000 3.344433\n3.344433 3.344433 0.000000\nGd Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"Cd",
"Rh"
],
"chemical_system": "Cd-Gd-Rh",
"density": 10.553014834671055,
"density_atomic": 0.05346412894868202,
"volume": 74.81651863886967,
"volume_molar": 11.26389016041092,
"formula_full": "Gd1 Cd1 Rh2",
"formula_reduced": "GdCdRh2",
"formula_anonymous": "ABC2",
"energy": -31.84059582,
"energy_per_atom": -7.960148955,
"energy_above_hull": null,
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"energy_uncorrected": -31.84059582,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.066000Z",
"spacegroup": 225
},
{
"id": "mp-1213995",
"created_at": "2022-09-04T14:45:19.363115Z",
"structure_string": "Ce2 Si2 H1 Ru1\n1.0\n2.739635 0.000000 0.000000\n0.000000 2.739635 0.000000\n0.000000 0.000000 14.700446\nCe Si H Ru\n2 2 1 1\ndirect\n0.500000 0.500000 0.142142 Ce\n0.500000 0.500000 0.857858 Ce\n0.500000 0.500000 0.659424 Si\n0.500000 0.500000 0.340576 Si\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ce",
"Si",
"H",
"Ru"
],
"chemical_system": "Ce-H-Ru-Si",
"density": 6.599087618907458,
"density_atomic": 0.05437951470688892,
"volume": 110.33566651597769,
"volume_molar": 11.074281910127274,
"formula_full": "Ce2 Si2 H1 Ru1",
"formula_reduced": "Ce2Si2HRu",
"formula_anonymous": "ABC2D2",
"energy": -31.87621923,
"energy_per_atom": -5.312703205,
"energy_above_hull": null,
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"energy_uncorrected": -31.839219230000005,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:56.583000Z",
"spacegroup": 123
},
{
"id": "mp-754040",
"created_at": "2022-09-04T14:41:29.685463Z",
"structure_string": "Ce1 Sm1 O2\n1.0\n5.861280 -1.754120 0.000000\n5.861280 1.754120 0.000000\n5.336320 0.000000 2.992529\nCe Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sm\n0.247755 0.247755 0.247755 O\n0.752245 0.752245 0.752245 O\n",
"nsites": 4,
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"elements": [
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"Sm",
"O"
],
"chemical_system": "Ce-O-Sm",
"density": 8.702113576013097,
"density_atomic": 0.06500396667568194,
"volume": 61.53470633502747,
"volume_molar": 9.264266579369979,
"formula_full": "Ce1 Sm1 O2",
"formula_reduced": "CeSmO2",
"formula_anonymous": "ABC2",
"energy": -33.21089388,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 166
},
{
"id": "mp-862371",
"created_at": "2022-09-04T14:46:29.110315Z",
"structure_string": "Sc2 Ru1 Pt1\n1.0\n0.000000 3.248741 3.248741\n3.248741 0.000000 3.248741\n3.248741 3.248741 0.000000\nSc Ru Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 9.348354901077952,
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"volume": 68.57649178008825,
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"formula_full": "Sc2 Ru1 Pt1",
"formula_reduced": "Sc2RuPt",
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"total_magnetization": 1.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.301000Z",
"spacegroup": 225
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{
"id": "mp-1183163",
"created_at": "2022-09-04T14:44:59.863798Z",
"structure_string": "Al1 Fe1 Ir2\n1.0\n0.000000 3.021789 3.021789\n3.021789 0.000000 3.021789\n3.021789 3.021789 0.000000\nAl Fe Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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],
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"density": 14.060015493006965,
"density_atomic": 0.07248323829752085,
"volume": 55.185172378491984,
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"formula_full": "Al1 Fe1 Ir2",
"formula_reduced": "AlFeIr2",
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"updated_at": "2021-11-28T01:36:48.273000Z",
"spacegroup": 225
},
{
"id": "mp-574338",
"created_at": "2022-09-04T14:47:01.215149Z",
"structure_string": "Cs3 Ga9\n1.0\n-3.232414 3.232414 7.771681\n3.232414 -3.232414 7.771681\n3.232414 3.232414 -7.771681\nCs Ga\n3 9\ndirect\n0.000000 0.000000 0.000000 Cs\n0.129822 0.629822 0.500000 Cs\n0.370178 0.870178 0.500000 Cs\n0.776000 0.989550 0.213550 Ga\n0.085477 0.394246 0.691231 Ga\n0.703015 0.394246 0.308769 Ga\n0.776000 0.562450 0.786450 Ga\n0.010450 0.224000 0.786450 Ga\n0.437550 0.224000 0.213550 Ga\n0.605754 0.914523 0.308769 Ga\n0.605754 0.296985 0.691231 Ga\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 12,
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"elements": [
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"Ga"
],
"chemical_system": "Cs-Ga",
"density": 5.246408179488502,
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"volume": 324.8096440264656,
"volume_molar": 16.300411637773912,
"formula_full": "Cs3 Ga9",
"formula_reduced": "CsGa3",
"formula_anonymous": "AB3",
"energy": -31.835402200000004,
"energy_per_atom": -2.6529501833333335,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:52.261000Z",
"spacegroup": 119
}
]
}