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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11524",
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"results": [
{
"id": "mp-1216716",
"created_at": "2022-09-04T14:45:21.788888Z",
"structure_string": "U2 Al3 Ga1\n1.0\n4.729192 -2.729501 0.000000\n4.729192 2.729501 0.000000\n3.153834 0.000000 4.457440\nU Al Ga\n2 3 1\ndirect\n0.124130 0.124130 0.124130 U\n0.875870 0.875870 0.875870 U\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Ga\n",
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"elements": [
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"chemical_system": "Al-Ga-U",
"density": 9.04358683143785,
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"volume": 115.0762512236915,
"volume_molar": 11.550089716703209,
"formula_full": "U2 Al3 Ga1",
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{
"id": "mp-1216531",
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"structure_string": "Tm1 Al1 Ga1\n1.0\n2.238382 -3.876991 0.000000\n2.238382 3.876991 0.000000\n0.000000 0.000000 3.421659\nTm Al Ga\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Tm\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.500000 Ga\n",
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],
"chemical_system": "Al-Ga-Tm",
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"volume": 59.38759240499397,
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"formula_full": "Tm1 Al1 Ga1",
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"updated_at": "2021-11-28T01:37:01.540000Z",
"spacegroup": 187
},
{
"id": "mp-1216557",
"created_at": "2022-09-04T14:39:43.735165Z",
"structure_string": "Tm2 Al2 Ga2\n1.0\n2.162464 5.261812 0.000000\n-2.162464 5.261812 0.000000\n0.000000 4.409626 5.299756\nTm Al Ga\n2 2 2\ndirect\n0.547476 0.547476 0.199451 Tm\n0.452524 0.452524 0.800549 Tm\n0.163483 0.163483 0.384652 Al\n0.836517 0.836517 0.615348 Al\n0.836331 0.836331 0.208214 Ga\n0.163669 0.163669 0.791786 Ga\n",
"nsites": 6,
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"elements": [
"Tm",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Tm",
"density": 7.314765950821585,
"density_atomic": 0.049748634673615254,
"volume": 120.60632496477672,
"volume_molar": 12.105137758069793,
"formula_full": "Tm2 Al2 Ga2",
"formula_reduced": "TmAlGa",
"formula_anonymous": "ABC",
"energy": -25.75676318,
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"energy_above_hull": null,
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"energy_uncorrected": -25.75676318,
"band_gap": 0.0,
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"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.177000Z",
"spacegroup": 12
},
{
"id": "mp-1217557",
"created_at": "2022-09-04T14:48:26.086181Z",
"structure_string": "Tb1 Al1 Ga1\n1.0\n2.223037 -3.850413 0.000000\n2.223037 3.850413 0.000000\n0.000000 0.000000 3.637474\nTb Al Ga\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 Al\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
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"elements": [
"Tb",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Tb",
"density": 6.816741554374708,
"density_atomic": 0.04817673403215515,
"volume": 62.270721755394945,
"volume_molar": 12.500101721259421,
"formula_full": "Tb1 Al1 Ga1",
"formula_reduced": "TbAlGa",
"formula_anonymous": "ABC",
"energy": -13.13262792,
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"energy_uncorrected": -13.13262792,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:16.206000Z",
"spacegroup": 187
},
{
"id": "mp-1228824",
"created_at": "2022-09-04T14:47:15.237830Z",
"structure_string": "Al1 Zn1 Ga1 S4\n1.0\n5.374074 0.000000 0.000000\n0.000000 5.374074 0.000000\n2.687038 2.687038 5.222091\nAl Zn Ga S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ga\n0.873369 0.387793 0.743727 S\n0.382904 0.868480 0.743727 S\n0.612207 0.617096 0.256273 S\n0.131520 0.126631 0.256273 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Zn",
"Ga",
"S"
],
"chemical_system": "Al-Ga-S-Zn",
"density": 3.197086704335698,
"density_atomic": 0.046413713792381094,
"volume": 150.8174939698332,
"volume_molar": 12.974916825096953,
"formula_full": "Al1 Zn1 Ga1 S4",
"formula_reduced": "AlZnGaS4",
"formula_anonymous": "ABCD4",
"energy": -32.67484348,
"energy_per_atom": -4.667834782857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -30.66284348,
"band_gap": 2.7802,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.199000Z",
"spacegroup": 82
},
{
"id": "mp-1207102",
"created_at": "2022-09-04T14:40:44.267016Z",
"structure_string": "Sr1 Al2 Ga2\n1.0\n-2.208055 2.208055 5.541932\n2.208055 -2.208055 5.541932\n2.208055 2.208055 -5.541932\nSr Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.383025 0.383025 0.000000 Ga\n0.616975 0.616975 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sr",
"density": 4.317768930308677,
"density_atomic": 0.046262494499731605,
"volume": 108.078910445026,
"volume_molar": 13.017328237747616,
"formula_full": "Sr1 Al2 Ga2",
"formula_reduced": "Sr(AlGa)2",
"formula_anonymous": "AB2C2",
"energy": -17.10982687,
"energy_per_atom": -3.421965374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -17.10982687,
"band_gap": 0.0,
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"total_magnetization": 1.59e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.412000Z",
"spacegroup": 139
},
{
"id": "mp-1218855",
"created_at": "2022-09-04T14:45:52.893526Z",
"structure_string": "Sr2 Al1 Ga3\n1.0\n2.201595 -3.813274 0.000000\n2.201595 3.813274 0.000000\n0.000000 0.000000 9.517331\nSr Al Ga\n2 1 3\ndirect\n0.000000 0.000000 0.750154 Sr\n0.000000 0.000000 0.249846 Sr\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.666667 0.333333 0.000000 Ga\n",
"nsites": 6,
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"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sr",
"density": 4.274868745683156,
"density_atomic": 0.037546601942087254,
"volume": 159.80141183627052,
"volume_molar": 16.039109928745855,
"formula_full": "Sr2 Al1 Ga3",
"formula_reduced": "Sr2AlGa3",
"formula_anonymous": "AB2C3",
"energy": -18.81015778,
"energy_per_atom": -3.1350262966666667,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -18.81015778,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.601000Z",
"spacegroup": 187
},
{
"id": "mp-1218356",
"created_at": "2022-09-04T14:44:53.900775Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n2.202094 -3.814139 0.000000\n2.202094 3.814139 0.000000\n0.000000 0.000000 4.832498\nSr Al Ga\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 3,
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"elements": [
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"Al",
"Ga"
],
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"density": 3.770493570363275,
"density_atomic": 0.03695619128474976,
"volume": 81.17719645092247,
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"formula_full": "Sr1 Al1 Ga1",
"formula_reduced": "SrAlGa",
"formula_anonymous": "ABC",
"energy": -9.57167898,
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"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.270000Z",
"spacegroup": 187
},
{
"id": "mp-961672",
"created_at": "2022-09-04T14:40:44.152225Z",
"structure_string": "Sr1 Al1 Ga1\n1.0\n0.000000 3.632300 3.632300\n3.632300 0.000000 3.632300\n3.632300 3.632300 0.000000\nSr Al Ga\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Ga\n",
"nsites": 3,
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"elements": [
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"Al",
"Ga"
],
"chemical_system": "Al-Ga-Sr",
"density": 3.1934279724834043,
"density_atomic": 0.03130012896263784,
"volume": 95.84625046053398,
"volume_molar": 19.239987053051685,
"formula_full": "Sr1 Al1 Ga1",
"formula_reduced": "SrAlGa",
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"energy": -7.2276844,
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"energy_above_hull": null,
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"total_magnetization": 2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.365000Z",
"spacegroup": 216
},
{
"id": "mp-1219103",
"created_at": "2022-09-04T14:44:30.793260Z",
"structure_string": "Sm1 Al1 Ga1\n1.0\n2.207898 -3.824191 0.000000\n2.207898 3.824191 0.000000\n0.000000 0.000000 3.890535\nSm Al Ga\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.500000 Al\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 3,
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"elements": [
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],
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"density": 6.244556640492253,
"density_atomic": 0.04566288545364651,
"volume": 65.69887054214679,
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"formula_full": "Sm1 Al1 Ga1",
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"energy": -13.24833198,
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"updated_at": "2021-11-28T01:36:38.755000Z",
"spacegroup": 187
},
{
"id": "mp-1097118",
"created_at": "2022-09-04T14:41:14.554542Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-5.451718 5.620980 7.977579\n5.451718 -5.620980 7.977579\n5.451718 5.620980 -7.977579\nSc Al Ga\n2 1 1\ndirect\n0.000000 0.252048 0.252048 Sc\n0.000000 0.747952 0.747952 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.3169000368065123,
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"volume": 977.8596546938711,
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"formula_full": "Sc2 Al1 Ga1",
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"formula_anonymous": "ABC2",
"energy": -10.65123567,
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"updated_at": "2021-11-28T01:35:17.066000Z",
"spacegroup": 71
},
{
"id": "mp-1228691",
"created_at": "2022-09-04T14:44:25.289720Z",
"structure_string": "Al4 Ga1 Sb5\n1.0\n-2.204922 3.112457 11.012235\n2.204922 -3.112457 11.012235\n2.204922 3.112457 -11.012235\nAl Ga Sb\n4 1 5\ndirect\n0.399990 0.400019 0.999971 Al\n0.799980 0.800007 0.999974 Al\n0.199967 0.199993 0.999974 Al\n0.599952 0.599981 0.999971 Al\n0.000016 0.000000 0.000016 Ga\n0.750016 0.500000 0.250016 Sb\n0.150038 0.900027 0.250011 Sb\n0.550011 0.299983 0.250028 Sb\n0.950046 0.700017 0.250028 Sb\n0.349984 0.099973 0.250011 Sb\n",
"nsites": 10,
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"elements": [
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"Sb"
],
"chemical_system": "Al-Ga-Sb",
"density": 4.320039267683167,
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"volume": 302.29575794483554,
"volume_molar": 18.20467605494688,
"formula_full": "Al4 Ga1 Sb5",
"formula_reduced": "Al4GaSb5",
"formula_anonymous": "AB4C5",
"energy": -41.11233637,
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"updated_at": "2021-11-28T01:36:40.442000Z",
"spacegroup": 44
}
]
}