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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1771",
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"results": [
{
"id": "mp-1197394",
"created_at": "2022-09-04T14:41:32.238237Z",
"structure_string": "Tb22 Cd90\n1.0\n0.000000 10.908442 10.908442\n10.908442 0.000000 10.908442\n10.908442 10.908442 0.000000\nTb Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Tb\n0.013637 0.333461 0.639266 Tb\n0.013637 0.013637 0.639266 Tb\n0.333461 0.013637 0.639266 Tb\n0.013637 0.639266 0.333461 Tb\n0.333461 0.639266 0.013637 Tb\n0.013637 0.639266 0.013637 Tb\n0.639266 0.013637 0.013637 Tb\n0.639266 0.333461 0.013637 Tb\n0.639266 0.013637 0.333461 Tb\n0.333461 0.013637 0.013637 Tb\n0.013637 0.013637 0.333461 Tb\n0.013637 0.333461 0.013637 Tb\n0.250000 0.250000 0.250000 Tb\n0.406384 0.406384 0.780848 Tb\n0.406384 0.780848 0.406384 Tb\n0.780848 0.406384 0.406384 Tb\n0.406384 0.406384 0.406384 Tb\n0.662195 0.662195 0.013415 Tb\n0.662195 0.013415 0.662195 Tb\n0.013415 0.662195 0.662195 Tb\n0.662195 0.662195 0.662195 Tb\n0.083347 0.083347 0.749960 Cd\n0.083347 0.749960 0.083347 Cd\n0.749960 0.083347 0.083347 Cd\n0.083347 0.083347 0.083347 Cd\n0.913316 0.913316 0.260053 Cd\n0.913316 0.260053 0.913316 Cd\n0.260053 0.913316 0.913316 Cd\n0.913316 0.913316 0.913316 Cd\n0.156338 0.156338 0.843662 Cd\n0.843662 0.156338 0.843662 Cd\n0.156338 0.843662 0.843662 Cd\n0.843662 0.843662 0.156338 Cd\n0.156338 0.843662 0.156338 Cd\n0.843662 0.156338 0.156338 Cd\n0.390740 0.200774 0.017746 Cd\n0.390740 0.390740 0.017746 Cd\n0.200774 0.390740 0.017746 Cd\n0.390740 0.017746 0.200774 Cd\n0.200774 0.017746 0.390740 Cd\n0.390740 0.017746 0.390740 Cd\n0.017746 0.390740 0.390740 Cd\n0.017746 0.200774 0.390740 Cd\n0.017746 0.390740 0.200774 Cd\n0.200774 0.390740 0.390740 Cd\n0.390740 0.390740 0.200774 Cd\n0.390740 0.200774 0.390740 Cd\n0.163340 0.163340 0.509981 Cd\n0.163340 0.509981 0.163340 Cd\n0.509981 0.163340 0.163340 Cd\n0.163340 0.163340 0.163340 Cd\n0.263223 0.611602 0.861953 Cd\n0.263223 0.263223 0.861953 Cd\n0.611602 0.263223 0.861953 Cd\n0.263223 0.861953 0.611602 Cd\n0.611602 0.861953 0.263223 Cd\n0.263223 0.861953 0.263223 Cd\n0.861953 0.263223 0.263223 Cd\n0.861953 0.611602 0.263223 Cd\n0.861953 0.263223 0.611602 Cd\n0.611602 0.263223 0.263223 Cd\n0.263223 0.263223 0.611602 Cd\n0.263223 0.611602 0.263223 Cd\n0.500000 0.500000 0.500000 Cd\n0.640593 0.450075 0.268739 Cd\n0.640593 0.640593 0.268739 Cd\n0.450075 0.640593 0.268739 Cd\n0.640593 0.268739 0.450075 Cd\n0.450075 0.268739 0.640593 Cd\n0.640593 0.268739 0.640593 Cd\n0.268739 0.640593 0.640593 Cd\n0.268739 0.450075 0.640593 Cd\n0.268739 0.640593 0.450075 Cd\n0.450075 0.640593 0.640593 Cd\n0.640593 0.640593 0.450075 Cd\n0.640593 0.450075 0.640593 Cd\n0.512491 0.833611 0.141406 Cd\n0.512491 0.512491 0.141406 Cd\n0.833611 0.512491 0.141406 Cd\n0.512491 0.141406 0.833611 Cd\n0.833611 0.141406 0.512491 Cd\n0.512491 0.141406 0.512491 Cd\n0.141406 0.512491 0.512491 Cd\n0.141406 0.833611 0.512491 Cd\n0.141406 0.512491 0.833611 Cd\n0.833611 0.512491 0.512491 Cd\n0.512491 0.512491 0.833611 Cd\n0.512491 0.833611 0.512491 Cd\n0.750000 0.750000 0.750000 Cd\n0.830051 0.830051 0.509847 Cd\n0.830051 0.509847 0.830051 Cd\n0.509847 0.830051 0.830051 Cd\n0.830051 0.830051 0.830051 Cd\n0.911590 0.911590 0.588410 Cd\n0.588410 0.911590 0.588410 Cd\n0.911590 0.588410 0.588410 Cd\n0.588410 0.588410 0.911590 Cd\n0.911590 0.588410 0.911590 Cd\n0.588410 0.911590 0.911590 Cd\n0.763960 0.067636 0.404444 Cd\n0.763960 0.763960 0.404444 Cd\n0.067636 0.763960 0.404444 Cd\n0.763960 0.404444 0.067636 Cd\n0.067636 0.404444 0.763960 Cd\n0.763960 0.404444 0.763960 Cd\n0.404444 0.763960 0.763960 Cd\n0.404444 0.067636 0.763960 Cd\n0.404444 0.763960 0.067636 Cd\n0.067636 0.763960 0.763960 Cd\n0.763960 0.763960 0.067636 Cd\n0.763960 0.067636 0.763960 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.707547621920577,
"density_atomic": 0.043141957483638,
"volume": 2596.0806262088845,
"volume_molar": 13.958895495838258,
"formula_full": "Tb22 Cd90",
"formula_reduced": "Tb11Cd45",
"formula_anonymous": "A11B45",
"energy": -211.84647213,
"energy_per_atom": -1.8914863583035715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.84647213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5053458,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.122000Z",
"spacegroup": 216
},
{
"id": "mp-1173113",
"created_at": "2022-09-04T14:40:44.278301Z",
"structure_string": "Tb10 Yb1 Se16\n1.0\n8.732198 0.000000 0.000000\n0.000000 8.732198 0.000000\n0.000000 0.000000 8.737038\nTb Yb Se\n10 1 16\ndirect\n0.250615 0.623854 0.367815 Tb\n0.000000 0.500000 0.752641 Tb\n0.376146 0.250615 0.632185 Tb\n0.749385 0.376146 0.367815 Tb\n0.130473 0.259512 0.122021 Tb\n0.740488 0.130473 0.877979 Tb\n0.500000 0.000000 0.247359 Tb\n0.869527 0.740488 0.122021 Tb\n0.259512 0.869527 0.877979 Tb\n0.623854 0.749385 0.632185 Tb\n0.000000 0.000000 0.500000 Yb\n0.572469 0.683288 0.313076 Se\n0.174810 0.579120 0.048097 Se\n0.927696 0.676525 0.445694 Se\n0.072304 0.323475 0.445694 Se\n0.427531 0.316712 0.313076 Se\n0.316712 0.572469 0.686924 Se\n0.825190 0.420880 0.048097 Se\n0.069521 0.178286 0.806134 Se\n0.683288 0.427531 0.686924 Se\n0.676525 0.072304 0.554306 Se\n0.420880 0.174810 0.951903 Se\n0.579120 0.825190 0.951903 Se\n0.930479 0.821714 0.806134 Se\n0.821714 0.069521 0.193866 Se\n0.323475 0.927696 0.554306 Se\n0.178286 0.930479 0.193866 Se\n",
"nsites": 27,
"nelements": 3,
"elements": [
"Tb",
"Yb",
"Se"
],
"chemical_system": "Se-Tb-Yb",
"density": 7.541485743643185,
"density_atomic": 0.04052774037057043,
"volume": 666.210347606902,
"volume_molar": 14.85930551502701,
"formula_full": "Tb10 Yb1 Se16",
"formula_reduced": "Tb10YbSe16",
"formula_anonymous": "AB10C16",
"energy": -161.80268128999998,
"energy_per_atom": -5.992691899629629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.25068129,
"band_gap": 1.6704,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.271000Z",
"spacegroup": 81
},
{
"id": "mp-34439",
"created_at": "2022-09-04T14:41:03.250838Z",
"structure_string": "Tb10 Ti6 O27\n1.0\n3.654201 6.514238 0.000000\n-3.654201 6.514238 0.000000\n0.000000 4.469871 11.799936\nTb Ti O\n10 6 27\ndirect\n0.780246 0.272431 0.230803 Tb\n0.272431 0.780246 0.230803 Tb\n0.019338 0.019338 0.497278 Tb\n0.481147 0.481147 0.490954 Tb\n0.249156 0.757352 0.753386 Tb\n0.757352 0.249156 0.753386 Tb\n0.750001 0.750001 0.267437 Tb\n0.017281 0.017281 0.002827 Tb\n0.757009 0.757009 0.775673 Tb\n0.245846 0.245846 0.733196 Tb\n0.020205 0.508620 0.994459 Ti\n0.508620 0.020205 0.994459 Ti\n0.501654 0.501654 0.006689 Ti\n0.248465 0.248465 0.258003 Ti\n0.522299 0.995401 0.504032 Ti\n0.995401 0.522299 0.504032 Ti\n0.422259 0.057369 0.362220 O\n0.767705 0.767705 0.958031 O\n0.932444 0.932444 0.189588 O\n0.781359 0.379902 0.037461 O\n0.057369 0.422259 0.362220 O\n0.125570 0.697789 0.443883 O\n0.106378 0.526172 0.817742 O\n0.404900 0.404900 0.173144 O\n0.287816 0.287816 0.540021 O\n0.379902 0.781359 0.037461 O\n0.088163 0.088163 0.295912 O\n0.474533 0.963895 0.159349 O\n0.333390 0.776588 0.564910 O\n0.564223 0.564223 0.311210 O\n0.697789 0.125570 0.443883 O\n0.526172 0.106378 0.817742 O\n0.936234 0.936234 0.687881 O\n0.642133 0.179592 0.976451 O\n0.559194 0.559194 0.842988 O\n0.776588 0.333390 0.564910 O\n0.737334 0.737334 0.452259 O\n0.963895 0.474533 0.159349 O\n0.923430 0.499820 0.662689 O\n0.070482 0.070482 0.814749 O\n0.179592 0.642133 0.976451 O\n0.499820 0.923430 0.662689 O\n0.197352 0.197352 0.999887 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Tb",
"Ti",
"O"
],
"chemical_system": "O-Tb-Ti",
"density": 6.823416095517558,
"density_atomic": 0.07654251965103169,
"volume": 561.779259371695,
"volume_molar": 7.86770645577883,
"formula_full": "Tb10 Ti6 O27",
"formula_reduced": "Tb10Ti6O27",
"formula_anonymous": "A6B10C27",
"energy": -388.83921289,
"energy_per_atom": -9.042772392790697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.29021289,
"band_gap": 2.3959000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.388000Z",
"spacegroup": 8
},
{
"id": "mp-1217831",
"created_at": "2022-09-04T14:42:19.411913Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n4.380938 -7.588008 0.000000\n4.380938 7.588008 0.000000\n0.000000 0.000000 6.399106\nTb Si Sb\n10 3 3\ndirect\n0.757042 0.000000 0.000000 Tb\n0.000000 0.757042 0.000000 Tb\n0.242958 0.242958 0.000000 Tb\n0.243469 0.000000 0.500000 Tb\n0.000000 0.243469 0.500000 Tb\n0.756531 0.756531 0.500000 Tb\n0.333333 0.666667 0.259656 Tb\n0.666667 0.333333 0.259656 Tb\n0.666667 0.333333 0.740344 Tb\n0.333333 0.666667 0.740344 Tb\n0.608890 0.000000 0.500000 Si\n0.000000 0.608890 0.500000 Si\n0.391110 0.391110 0.500000 Si\n0.394436 0.000000 0.000000 Sb\n0.000000 0.394436 0.000000 Sb\n0.605564 0.605564 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Sb"
],
"chemical_system": "Sb-Si-Tb",
"density": 7.957513887864753,
"density_atomic": 0.03760761530039834,
"volume": 425.44574741569767,
"volume_molar": 16.01308860425461,
"formula_full": "Tb10 Si3 Sb3",
"formula_reduced": "Tb10(SiSb)3",
"formula_anonymous": "A3B3C10",
"energy": -88.19893076999999,
"energy_per_atom": -5.512433173124999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -87.62293077,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0114707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.151000Z",
"spacegroup": 189
},
{
"id": "mp-1197004",
"created_at": "2022-09-04T14:41:52.526792Z",
"structure_string": "Tb10 Mn13 C18\n1.0\n-5.044062 5.044062 5.044062\n5.044062 -5.044062 5.044062\n5.044062 5.044062 -5.044062\nTb Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Tb\n0.750000 0.500000 0.250000 Tb\n0.250000 0.750000 0.500000 Tb\n0.250000 0.500000 0.750000 Tb\n0.500000 0.250000 0.750000 Tb\n0.750000 0.250000 0.500000 Tb\n0.407436 0.000000 0.000000 Tb\n0.000000 0.407436 0.000000 Tb\n0.000000 0.000000 0.407436 Tb\n0.592564 0.592564 0.592564 Tb\n0.000000 0.000000 0.000000 Mn\n0.669259 0.823405 0.000000 Mn\n0.845854 0.176595 0.176595 Mn\n0.669259 0.000000 0.823405 Mn\n0.823405 0.669259 0.000000 Mn\n0.000000 0.669259 0.823405 Mn\n0.176595 0.845854 0.176595 Mn\n0.176595 0.176595 0.845854 Mn\n0.000000 0.823405 0.669259 Mn\n0.823405 0.000000 0.669259 Mn\n0.330741 0.330741 0.154146 Mn\n0.154146 0.330741 0.330741 Mn\n0.330741 0.154146 0.330741 Mn\n0.701816 0.217054 0.000000 C\n0.484762 0.782946 0.782946 C\n0.701816 0.000000 0.217054 C\n0.217054 0.701816 0.000000 C\n0.000000 0.701816 0.217054 C\n0.782946 0.484762 0.782946 C\n0.782946 0.782946 0.484762 C\n0.000000 0.217054 0.701816 C\n0.217054 0.000000 0.701816 C\n0.298184 0.298184 0.515238 C\n0.515238 0.298184 0.298184 C\n0.298184 0.515238 0.298184 C\n0.569676 0.569676 0.000000 C\n0.000000 0.430324 0.430324 C\n0.569676 0.000000 0.569676 C\n0.000000 0.569676 0.569676 C\n0.430324 0.000000 0.430324 C\n0.430324 0.430324 0.000000 C\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"C"
],
"chemical_system": "C-Mn-Tb",
"density": 8.150541631462323,
"density_atomic": 0.07986980368459187,
"volume": 513.3354297690547,
"volume_molar": 7.5399468662544935,
"formula_full": "Tb10 Mn13 C18",
"formula_reduced": "Tb10Mn13C18",
"formula_anonymous": "A10B13C18",
"energy": -343.92064450000004,
"energy_per_atom": -8.388308402439025,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -343.92064450000004,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.1174171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.720000Z",
"spacegroup": 217
},
{
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"created_at": "2022-09-04T14:40:12.887058Z",
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}