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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=1717",
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"results": [
{
"id": "mp-1195664",
"created_at": "2022-09-04T14:46:32.990686Z",
"structure_string": "Sr8 P28 Br4\n1.0\n9.917568 0.000000 0.000000\n0.000000 9.917568 0.000000\n0.000000 0.000000 9.917568\nSr P Br\n8 28 4\ndirect\n0.647645 0.147645 0.352355 Sr\n0.147645 0.352355 0.647645 Sr\n0.352355 0.647645 0.147645 Sr\n0.852355 0.852355 0.852355 Sr\n0.912931 0.412931 0.087069 Sr\n0.412931 0.087069 0.912931 Sr\n0.087069 0.912931 0.412931 Sr\n0.587069 0.587069 0.587069 Sr\n0.463413 0.963413 0.536587 P\n0.963413 0.536587 0.463413 P\n0.536587 0.463413 0.963413 P\n0.036587 0.036587 0.036587 P\n0.218621 0.943298 0.119460 P\n0.880540 0.718621 0.556702 P\n0.443298 0.380540 0.781379 P\n0.718621 0.556702 0.880540 P\n0.380540 0.781379 0.443298 P\n0.943298 0.119460 0.218621 P\n0.781379 0.443298 0.380540 P\n0.119460 0.218621 0.943298 P\n0.556702 0.880540 0.718621 P\n0.281379 0.056702 0.619460 P\n0.619460 0.281379 0.056702 P\n0.056702 0.619460 0.281379 P\n0.200896 0.887180 0.731509 P\n0.268491 0.700896 0.612820 P\n0.387180 0.768491 0.799104 P\n0.700896 0.612820 0.268491 P\n0.768491 0.799104 0.387180 P\n0.887180 0.731509 0.200896 P\n0.799104 0.387180 0.768491 P\n0.731509 0.200896 0.887180 P\n0.612820 0.268491 0.700896 P\n0.299104 0.112820 0.231509 P\n0.231509 0.299104 0.112820 P\n0.112820 0.231509 0.299104 P\n0.096877 0.596877 0.903123 Br\n0.596877 0.903123 0.096877 Br\n0.903123 0.096877 0.596877 Br\n0.403123 0.403123 0.403123 Br\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"P",
"Br"
],
"chemical_system": "Br-P-Sr",
"density": 3.2136533452219957,
"density_atomic": 0.04100571893709131,
"volume": 975.4736909104257,
"volume_molar": 14.68609968584829,
"formula_full": "Sr8 P28 Br4",
"formula_reduced": "Sr2P7Br",
"formula_anonymous": "AB2C7",
"energy": -202.82520801,
"energy_per_atom": -5.07063020025,
"energy_above_hull": null,
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"energy_uncorrected": -200.68920801,
"band_gap": 2.1331,
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"is_magnetic": false,
"total_magnetization": 0.0088624,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.055000Z",
"spacegroup": 198
},
{
"id": "mp-532541",
"created_at": "2022-09-04T14:46:33.241314Z",
"structure_string": "Cs4 Ba4 In8 P12 O48\n1.0\n10.422921 0.000000 0.000000\n0.000000 10.422921 0.000000\n0.000000 0.000000 10.422921\nCs Ba In P O\n4 4 8 12 48\ndirect\n0.046113 0.046113 0.046113 Cs\n0.453887 0.953887 0.546113 Cs\n0.546113 0.453887 0.953887 Cs\n0.953887 0.546113 0.453887 Cs\n0.185138 0.314862 0.685138 Ba\n0.314862 0.685138 0.185138 Ba\n0.685138 0.185138 0.314862 Ba\n0.814862 0.814862 0.814862 Ba\n0.098294 0.901706 0.401706 In\n0.169434 0.669434 0.830566 In\n0.330566 0.330566 0.330566 In\n0.401706 0.098294 0.901706 In\n0.598294 0.598294 0.598294 In\n0.669434 0.830566 0.169434 In\n0.830566 0.169434 0.669434 In\n0.901706 0.401706 0.098294 In\n0.014635 0.213715 0.378284 P\n0.121716 0.985365 0.713715 P\n0.213715 0.378284 0.014635 P\n0.286285 0.621716 0.514635 P\n0.378284 0.014635 0.213715 P\n0.485365 0.786285 0.878284 P\n0.514635 0.286285 0.621716 P\n0.621716 0.514635 0.286285 P\n0.713715 0.121716 0.985365 P\n0.786285 0.878284 0.485365 P\n0.878284 0.485365 0.786285 P\n0.985365 0.713715 0.121716 P\n0.002188 0.565226 0.764780 O\n0.008024 0.072658 0.332544 O\n0.051328 0.796042 0.226268 O\n0.065226 0.735220 0.997812 O\n0.072658 0.332544 0.008024 O\n0.089850 0.846163 0.756590 O\n0.153837 0.256590 0.410150 O\n0.167456 0.991976 0.572658 O\n0.203958 0.726268 0.448672 O\n0.226268 0.051328 0.796042 O\n0.235220 0.502188 0.934774 O\n0.243410 0.589850 0.653837 O\n0.256590 0.410150 0.153837 O\n0.264780 0.497812 0.434774 O\n0.273732 0.948672 0.296042 O\n0.296042 0.273732 0.948672 O\n0.332544 0.008024 0.072658 O\n0.346163 0.743410 0.910150 O\n0.410150 0.153837 0.256590 O\n0.427342 0.667456 0.508024 O\n0.434774 0.264780 0.497812 O\n0.448672 0.203958 0.726268 O\n0.491976 0.927342 0.832544 O\n0.497812 0.434774 0.264780 O\n0.502188 0.934774 0.235220 O\n0.508024 0.427342 0.667456 O\n0.551328 0.703958 0.773732 O\n0.565226 0.764780 0.002188 O\n0.572658 0.167456 0.991976 O\n0.589850 0.653837 0.243410 O\n0.653837 0.243410 0.589850 O\n0.667456 0.508024 0.427342 O\n0.703958 0.773732 0.551328 O\n0.726268 0.448672 0.203958 O\n0.735220 0.997812 0.065226 O\n0.743410 0.910150 0.346163 O\n0.756590 0.089850 0.846163 O\n0.764780 0.002188 0.565226 O\n0.773732 0.551328 0.703958 O\n0.796042 0.226268 0.051328 O\n0.832544 0.491976 0.927342 O\n0.846163 0.756590 0.089850 O\n0.910150 0.346163 0.743410 O\n0.927342 0.832544 0.491976 O\n0.934774 0.235220 0.502188 O\n0.948672 0.296042 0.273732 O\n0.991976 0.572658 0.167456 O\n0.997812 0.065226 0.735220 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"Cs",
"Ba",
"In",
"P",
"O"
],
"chemical_system": "Ba-Cs-In-O-P",
"density": 4.603520501977458,
"density_atomic": 0.06711896549407889,
"volume": 1132.3178097359767,
"volume_molar": 8.972338467480197,
"formula_full": "Cs4 Ba4 In8 P12 O48",
"formula_reduced": "CsBaIn2(PO4)3",
"formula_anonymous": "ABC2D3E12",
"energy": -541.17535716,
"energy_per_atom": -7.12072838368421,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -508.19935716,
"band_gap": 3.5777000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.727000Z",
"spacegroup": 198
},
{
"id": "mp-1188681",
"created_at": "2022-09-04T14:46:35.240075Z",
"structure_string": "In4 H4 O8\n1.0\n5.413504 0.000000 0.000000\n0.000000 5.413504 0.000000\n0.000000 0.000000 5.413504\nIn H O\n4 4 8\ndirect\n0.490372 0.990372 0.509628 In\n0.990372 0.509628 0.490372 In\n0.509628 0.490372 0.990372 In\n0.009628 0.009628 0.009628 In\n0.022394 0.522394 0.977606 H\n0.522394 0.977606 0.022394 H\n0.977606 0.022394 0.522394 H\n0.477606 0.477606 0.477606 H\n0.135356 0.635356 0.864644 O\n0.635356 0.864644 0.135356 O\n0.864644 0.135356 0.635356 O\n0.364644 0.364644 0.364644 O\n0.867086 0.367086 0.132914 O\n0.367086 0.132914 0.867086 O\n0.132914 0.867086 0.367086 O\n0.632914 0.632914 0.632914 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"H",
"O"
],
"chemical_system": "H-In-O",
"density": 6.189004900534123,
"density_atomic": 0.10085201891977318,
"volume": 158.6482865824218,
"volume_molar": 5.971264457076021,
"formula_full": "In4 H4 O8",
"formula_reduced": "InHO2",
"formula_anonymous": "ABC2",
"energy": -91.25645882,
"energy_per_atom": -5.70352867625,
"energy_above_hull": null,
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"energy_uncorrected": -85.76045882,
"band_gap": 1.6292,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.740000Z",
"spacegroup": 198
},
{
"id": "mp-1196318",
"created_at": "2022-09-04T14:46:34.760917Z",
"structure_string": "Cs8 Li12 B12 P24 Pb8 O96\n1.0\n12.954850 0.000000 0.000000\n0.000000 12.954850 0.000000\n0.000000 0.000000 12.954850\nCs Li B P Pb O\n8 12 12 24 8 96\ndirect\n0.648664 0.351336 0.851336 Cs\n0.148664 0.148664 0.148664 Cs\n0.851336 0.648664 0.351336 Cs\n0.351336 0.851336 0.648664 Cs\n0.651902 0.848098 0.151902 Cs\n0.848098 0.151902 0.651902 Cs\n0.348098 0.348098 0.348098 Cs\n0.151902 0.651902 0.848098 Cs\n0.696146 0.561909 0.099786 Li\n0.900214 0.196146 0.938091 Li\n0.061909 0.400214 0.303854 Li\n0.196146 0.938091 0.900214 Li\n0.400214 0.303854 0.061909 Li\n0.561909 0.099786 0.696146 Li\n0.303854 0.061909 0.400214 Li\n0.099786 0.696146 0.561909 Li\n0.938091 0.900214 0.196146 Li\n0.803854 0.438091 0.599786 Li\n0.599786 0.803854 0.438091 Li\n0.438091 0.599786 0.803854 Li\n0.646681 0.132054 0.118469 B\n0.881531 0.146681 0.367946 B\n0.632054 0.381531 0.353319 B\n0.146681 0.367946 0.881531 B\n0.381531 0.353319 0.632054 B\n0.132054 0.118469 0.646681 B\n0.353319 0.632054 0.381531 B\n0.118469 0.646681 0.132054 B\n0.367946 0.881531 0.146681 B\n0.853319 0.867946 0.618469 B\n0.618469 0.853319 0.867946 B\n0.867946 0.618469 0.853319 B\n0.946063 0.414498 0.816698 P\n0.183302 0.446063 0.085502 P\n0.914498 0.683302 0.053937 P\n0.446063 0.085502 0.183302 P\n0.683302 0.053937 0.914498 P\n0.414498 0.816698 0.946063 P\n0.053937 0.914498 0.683302 P\n0.816698 0.946063 0.414498 P\n0.085502 0.183302 0.446063 P\n0.553937 0.585502 0.316698 P\n0.316698 0.553937 0.585502 P\n0.585502 0.316698 0.553937 P\n0.621585 0.346208 0.137578 P\n0.862422 0.121585 0.153792 P\n0.846208 0.362422 0.378415 P\n0.121585 0.153792 0.862422 P\n0.362422 0.378415 0.846208 P\n0.346208 0.137578 0.621585 P\n0.378415 0.846208 0.362422 P\n0.137578 0.621585 0.346208 P\n0.153792 0.862422 0.121585 P\n0.878415 0.653792 0.637578 P\n0.637578 0.878415 0.653792 P\n0.653792 0.637578 0.878415 P\n0.596179 0.596179 0.596179 Pb\n0.403821 0.096179 0.903821 Pb\n0.096179 0.903821 0.403821 Pb\n0.903821 0.403821 0.096179 Pb\n0.440016 0.559984 0.059984 Pb\n0.940016 0.940016 0.940016 Pb\n0.059984 0.440016 0.559984 Pb\n0.559984 0.059984 0.440016 Pb\n0.596947 0.597243 0.207744 O\n0.792256 0.096947 0.902757 O\n0.097243 0.292256 0.403053 O\n0.096947 0.902757 0.792256 O\n0.292256 0.403053 0.097243 O\n0.597243 0.207744 0.596947 O\n0.403053 0.097243 0.292256 O\n0.207744 0.596947 0.597243 O\n0.902757 0.792256 0.096947 O\n0.903053 0.402757 0.707744 O\n0.707744 0.903053 0.402757 O\n0.402757 0.707744 0.903053 O\n0.067044 0.400460 0.806732 O\n0.193268 0.567044 0.099540 O\n0.900460 0.693268 0.932956 O\n0.567044 0.099540 0.193268 O\n0.693268 0.932956 0.900460 O\n0.400460 0.806732 0.067044 O\n0.932956 0.900460 0.693268 O\n0.806732 0.067044 0.400460 O\n0.099540 0.193268 0.567044 O\n0.432956 0.599540 0.306732 O\n0.306732 0.432956 0.599540 O\n0.599540 0.306732 0.432956 O\n0.713830 0.413594 0.106290 O\n0.893710 0.213830 0.086406 O\n0.913594 0.393710 0.286170 O\n0.213830 0.086406 0.893710 O\n0.393710 0.286170 0.913594 O\n0.413594 0.106290 0.713830 O\n0.286170 0.913594 0.393710 O\n0.106290 0.713830 0.413594 O\n0.086406 0.893710 0.213830 O\n0.786170 0.586406 0.606290 O\n0.606290 0.786170 0.586406 O\n0.586406 0.606290 0.786170 O\n0.936907 0.528339 0.859874 O\n0.140126 0.436907 0.971661 O\n0.028339 0.640126 0.063093 O\n0.436907 0.971661 0.140126 O\n0.640126 0.063093 0.028339 O\n0.528339 0.859874 0.936907 O\n0.063093 0.028339 0.640126 O\n0.859874 0.936907 0.528339 O\n0.971661 0.140126 0.436907 O\n0.563093 0.471661 0.359874 O\n0.359874 0.563093 0.471661 O\n0.471661 0.359874 0.563093 O\n0.898218 0.340535 0.895347 O\n0.104653 0.398218 0.159465 O\n0.840535 0.604653 0.101782 O\n0.398218 0.159465 0.104653 O\n0.604653 0.101782 0.840535 O\n0.340535 0.895347 0.898218 O\n0.101782 0.840535 0.604653 O\n0.895347 0.898218 0.340535 O\n0.159465 0.104653 0.398218 O\n0.601782 0.659465 0.395347 O\n0.395347 0.601782 0.659465 O\n0.659465 0.395347 0.601782 O\n0.633123 0.238885 0.081966 O\n0.918034 0.133123 0.261115 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O\n0.607937 0.600780 0.981376 O\n",
"nsites": 160,
"nelements": 6,
"elements": [
"Cs",
"Li",
"B",
"P",
"Pb",
"O"
],
"chemical_system": "B-Cs-Li-O-P-Pb",
"density": 3.981572945844778,
"density_atomic": 0.07359068005272135,
"volume": 2174.1883603382093,
"volume_molar": 8.183292715443935,
"formula_full": "Cs8 Li12 B12 P24 Pb8 O96",
"formula_reduced": "Cs2Li3B3P6(PbO12)2",
"formula_anonymous": "A2B2C3D3E6F24",
"energy": -1175.08617637,
"energy_per_atom": -7.3442886023125,
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"energy_uncorrected": -1109.13417637,
"band_gap": 5.0959,
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"updated_at": "2021-11-28T01:37:43.446000Z",
"spacegroup": 198
},
{
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"elements": [
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"H",
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"N",
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],
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"formula_full": "Cu8 Sn24 H216 C72 N8 Cl8",
"formula_reduced": "CuSn3H27C9NCl",
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"band_gap": 2.8063,
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"updated_at": "2021-11-28T01:37:51.498000Z",
"spacegroup": 198
},
{
"id": "mp-569671",
"created_at": "2022-09-04T14:46:56.369044Z",
"structure_string": "Zr4 Sb4\n1.0\n5.691970 0.000000 0.000000\n0.000000 5.691970 0.000000\n0.000000 0.000000 5.691970\nZr Sb\n4 4\ndirect\n0.356657 0.856657 0.643343 Zr\n0.643343 0.356657 0.856657 Zr\n0.856657 0.643343 0.356657 Zr\n0.143343 0.143343 0.143343 Zr\n0.343208 0.656792 0.156792 Sb\n0.843208 0.843208 0.843208 Sb\n0.656792 0.156792 0.343208 Sb\n0.156792 0.343208 0.656792 Sb\n",
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],
"chemical_system": "Sb-Zr",
"density": 7.671287524072472,
"density_atomic": 0.04338126178150585,
"volume": 184.41141800560843,
"volume_molar": 13.881893962262154,
"formula_full": "Zr4 Sb4",
"formula_reduced": "ZrSb",
"formula_anonymous": "AB",
"energy": -57.17456491,
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"updated_at": "2021-11-28T01:37:48.091000Z",
"spacegroup": 198
}
]
}