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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=29",
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"results": [
{
"id": "mp-1096602",
"created_at": "2022-09-04T14:48:02.835122Z",
"structure_string": "Sr2 Cd1 Ge1\n1.0\n-6.529242 6.716099 9.486705\n6.529242 -6.716099 9.486705\n6.529242 6.716099 -9.486705\nSr Cd Ge\n2 1 1\ndirect\n0.000000 0.226546 0.226546 Sr\n0.000000 0.773454 0.773453 Sr\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
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{
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"updated_at": "2021-11-28T01:37:39.754000Z",
"spacegroup": 71
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{
"id": "mp-1096590",
"created_at": "2022-09-04T14:39:32.832138Z",
"structure_string": "K2 Cd1 Au1\n1.0\n-6.570318 6.816685 9.279438\n6.570318 -6.816685 9.279438\n6.570318 6.816685 -9.279438\nK Cd Au\n2 1 1\ndirect\n0.726526 0.000000 0.726526 K\n0.273474 0.000000 0.273474 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
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],
"chemical_system": "Au-Cd-K",
"density": 0.38713518206762276,
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"volume": 1662.4220133966355,
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"formula_full": "K2 Cd1 Au1",
"formula_reduced": "K2CdAu",
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"energy": -4.87964889,
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"updated_at": "2021-11-28T01:34:27.068000Z",
"spacegroup": 71
},
{
"id": "mp-1211623",
"created_at": "2022-09-04T14:39:15.669734Z",
"structure_string": "Sr2 Mn1 Sn2\n1.0\n8.688456 0.000000 0.000000\n0.000000 8.688456 0.000000\n0.000000 0.000000 27.486471\nSr Mn Sn\n2 1 2\ndirect\n0.500000 0.500000 0.670838 Sr\n0.500000 0.500000 0.329162 Sr\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.215147 Sn\n0.500000 0.500000 0.784853 Sn\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mn-Sn-Sr",
"density": 0.37421189465573396,
"density_atomic": 0.002409715704074322,
"volume": 2074.933566456015,
"volume_molar": 249.91084009693873,
"formula_full": "Sr2 Mn1 Sn2",
"formula_reduced": "Sr2MnSn2",
"formula_anonymous": "AB2C2",
"energy": -10.02784783,
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"updated_at": "2021-11-28T01:34:42.879000Z",
"spacegroup": 123
},
{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5036713605700279,
"density_atomic": 0.0024105014953931594,
"volume": 1659.405732643028,
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"formula_full": "Sr1 Li1 Tl2",
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"energy": -4.01599865,
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"updated_at": "2021-11-28T01:37:43.083000Z",
"spacegroup": 71
},
{
"id": "mp-1096003",
"created_at": "2022-09-04T14:39:12.047638Z",
"structure_string": "Ba1 Li2 Tl1\n1.0\n-6.622784 6.711527 9.331458\n6.622784 -6.711527 9.331458\n6.622784 6.711527 -9.331458\nBa Li Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.715138 0.000000 0.715138 Li\n0.284862 0.000000 0.284862 Li\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"Li",
"Tl"
],
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"density": 0.35590166198362816,
"density_atomic": 0.0024109519873450856,
"volume": 1659.0956688460467,
"volume_molar": 249.782691302431,
"formula_full": "Ba1 Li2 Tl1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:23.552000Z",
"spacegroup": 71
},
{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ga"
],
"chemical_system": "Ba-Ga-Zn",
"density": 0.41069513575582467,
"density_atomic": 0.002414200502529215,
"volume": 1656.8632124007252,
"volume_molar": 249.4465871285736,
"formula_full": "Ba2 Zn1 Ga1",
"formula_reduced": "Ba2ZnGa",
"formula_anonymous": "ABC2",
"energy": -3.27036875,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.758000Z",
"spacegroup": 71
},
{
"id": "mp-1093930",
"created_at": "2022-09-04T14:42:46.105869Z",
"structure_string": "K1 Tl2 Pb1\n1.0\n-6.414574 6.834878 9.445505\n6.414574 -6.834878 9.445505\n6.414574 6.834878 -9.445505\nK Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.275814 0.275814 Tl\n0.000000 0.724186 0.724186 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6566737661778806,
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"volume": 1656.4707068163405,
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"formula_full": "K1 Tl2 Pb1",
"formula_reduced": "KTl2Pb",
"formula_anonymous": "ABC2",
"energy": -6.36546494,
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"energy_uncorrected": -6.36546494,
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"updated_at": "2021-11-28T01:36:10.624000Z",
"spacegroup": 71
},
{
"id": "mp-1093927",
"created_at": "2022-09-04T14:44:30.345246Z",
"structure_string": "Ba1 Sr1 Ag2\n1.0\n-6.490749 6.706106 9.508083\n6.490749 -6.706106 9.508083\n6.490749 6.706106 -9.508083\nBa Sr Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.244612 0.244612 Ag\n0.000000 0.755388 0.755388 Ag\n",
"nsites": 4,
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"density": 0.4420359635359198,
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"volume": 1655.4580669150705,
"volume_molar": 249.23503753100132,
"formula_full": "Ba1 Sr1 Ag2",
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"energy": -5.1995649,
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"updated_at": "2021-11-28T01:36:42.647000Z",
"spacegroup": 71
},
{
"id": "mp-1095937",
"created_at": "2022-09-04T14:43:58.437925Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-6.548602 6.901167 9.152045\n6.548602 -6.901167 9.152045\n6.548602 6.901167 -9.152045\nRb Hg Se\n2 1 1\ndirect\n0.214174 0.000000 0.214174 Rb\n0.785826 0.000000 0.785826 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"density": 0.4521481300130286,
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"volume": 1654.433332985776,
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"formula_full": "Rb2 Hg1 Se1",
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"updated_at": "2021-11-28T01:36:08.485000Z",
"spacegroup": 71
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{
"id": "mp-1207334",
"created_at": "2022-09-04T14:47:08.364643Z",
"structure_string": "Hf2 Cu1 Si3\n1.0\n8.406066 0.000000 0.000000\n0.000000 8.406066 0.000000\n0.000000 0.000000 35.102160\nHf Cu Si\n2 1 3\ndirect\n0.500000 0.500000 0.243146 Hf\n0.500000 0.500000 0.756854 Hf\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690977 Si\n0.500000 0.500000 0.309023 Si\n0.500000 0.500000 0.000000 Si\n",
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"volume": 2480.386920234583,
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"formula_full": "Hf2 Cu1 Si3",
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{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
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"volume": 4957.696116082764,
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"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:37:38.005000Z",
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}
]
}