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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=58",
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"results": [
{
"id": "mp-1195200",
"created_at": "2022-09-04T14:44:18.656191Z",
"structure_string": "Co2 H36 Pt3 N12 Cl12\n1.0\n7.884408 0.000000 0.000000\n0.275044 7.954429 0.000000\n1.327801 0.161132 13.099392\nCo H Pt N Cl\n2 36 3 12 12\ndirect\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.674667 0.560373 0.829106 H\n0.325333 0.439627 0.170894 H\n0.740250 0.678267 0.918784 H\n0.259750 0.321733 0.081216 H\n0.802178 0.477385 0.909403 H\n0.197822 0.522615 0.090597 H\n0.735198 0.281064 0.033215 H\n0.264802 0.718936 0.966785 H\n0.719067 0.418820 0.125665 H\n0.280933 0.581180 0.874335 H\n0.580988 0.271194 0.128190 H\n0.419012 0.728806 0.871810 H\n0.652299 0.740949 0.074243 H\n0.347701 0.259051 0.925757 H\n0.444997 0.785828 0.088097 H\n0.555003 0.214172 0.911903 H\n0.530789 0.652846 0.167992 H\n0.469211 0.347154 0.832008 H\n0.728327 0.174243 0.554595 H\n0.271673 0.825757 0.445405 H\n0.729731 0.130995 0.433229 H\n0.270269 0.869005 0.566771 H\n0.674736 0.985230 0.519910 H\n0.325264 0.014770 0.480090 H\n0.058646 0.096711 0.674636 H\n0.941354 0.903289 0.325364 H\n0.861316 0.030293 0.682251 H\n0.138684 0.969707 0.317749 H\n0.024750 0.892999 0.678266 H\n0.975250 0.107001 0.321734 H\n0.023777 0.681266 0.523403 H\n0.976223 0.318734 0.476597 H\n0.830560 0.745349 0.569580 H\n0.169440 0.254651 0.430420 H\n0.872203 0.725879 0.446353 H\n0.127797 0.274121 0.553647 H\n0.462087 0.503706 0.661881 Pt\n0.537913 0.496294 0.338119 Pt\n0.000000 0.000000 0.000000 Pt\n0.699559 0.559970 0.904462 N\n0.300441 0.440030 0.095538 N\n0.648411 0.352810 0.079370 N\n0.351589 0.647190 0.920630 N\n0.534849 0.689052 0.091713 N\n0.465151 0.310948 0.908287 N\n0.758704 0.079763 0.501870 N\n0.241296 0.920237 0.498130 N\n0.983461 0.006561 0.649472 N\n0.016539 0.993439 0.350528 N\n0.924791 0.764095 0.510430 N\n0.075209 0.235905 0.489570 N\n0.550386 0.777354 0.679545 Cl\n0.449614 0.222646 0.320455 Cl\n0.743947 0.406520 0.654340 Cl\n0.256053 0.593480 0.345660 Cl\n0.374889 0.229643 0.649575 Cl\n0.625111 0.770357 0.350425 Cl\n0.179357 0.600793 0.675243 Cl\n0.820643 0.399207 0.324757 Cl\n0.747155 0.979735 0.924920 Cl\n0.252845 0.020265 0.075080 Cl\n0.973656 0.729105 0.066640 Cl\n0.026344 0.270895 0.933360 Cl\n",
"nsites": 65,
"nelements": 5,
"elements": [
"Co",
"H",
"Pt",
"N",
"Cl"
],
"chemical_system": "Cl-Co-H-N-Pt",
"density": 2.694164745544914,
"density_atomic": 0.07911960644678569,
"volume": 821.5409924178242,
"volume_molar": 7.611439225308047,
"formula_full": "Co2 H36 Pt3 N12 Cl12",
"formula_reduced": "Co2H36Pt3(NCl)12",
"formula_anonymous": "A2B3C12D12E36",
"energy": -316.81191913,
"energy_per_atom": -4.8740295250769226,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -309.44391913,
"band_gap": 1.7355,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0982666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.769000Z",
"spacegroup": 2
},
{
"id": "mp-1073130",
"created_at": "2022-09-04T14:44:18.688684Z",
"structure_string": "Mg8 Si12\n1.0\n6.688976 1.013060 0.618198\n2.278229 4.132723 2.695519\n-2.476881 -0.986800 13.875794\nMg Si\n8 12\ndirect\n0.994039 0.075313 0.243033 Mg\n0.057600 0.235208 0.777983 Mg\n0.029445 0.888129 0.015137 Mg\n0.855242 0.573029 0.956381 Mg\n0.534683 0.833731 0.731284 Mg\n0.447956 0.375631 0.246741 Mg\n0.619106 0.597804 0.542895 Mg\n0.465028 0.258001 0.487301 Mg\n0.553834 0.427673 0.031817 Si\n0.369353 0.031645 0.980855 Si\n0.737348 0.801888 0.139544 Si\n0.324833 0.532676 0.858612 Si\n0.927539 0.890437 0.693458 Si\n0.050636 0.472162 0.328542 Si\n0.132391 0.090841 0.562531 Si\n0.908580 0.756441 0.442178 Si\n0.239192 0.529542 0.627780 Si\n0.796127 0.321619 0.395703 Si\n0.310011 0.095232 0.144290 Si\n0.647041 0.212813 0.793855 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4012857075731233,
"density_atomic": 0.05441883597813941,
"volume": 367.519805238653,
"volume_molar": 11.066279996174767,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -72.98873513,
"energy_per_atom": -3.6494367564999997,
"energy_above_hull": null,
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"energy_uncorrected": -73.84073513,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.186000Z",
"spacegroup": 1
},
{
"id": "mp-769411",
"created_at": "2022-09-04T14:44:18.712332Z",
"structure_string": "Li24 B12 Sb4 O36\n1.0\n16.713763 0.000000 0.000000\n0.000000 6.777507 0.000000\n0.000000 1.890985 7.042876\nLi B Sb O\n24 12 4 36\ndirect\n0.003051 0.322831 0.071032 Li\n0.450621 0.415027 0.144622 Li\n0.496949 0.822831 0.071032 Li\n0.537245 0.055734 0.302362 Li\n0.049379 0.915027 0.144622 Li\n0.292551 0.366700 0.288288 Li\n0.962755 0.555734 0.302362 Li\n0.704137 0.049713 0.427609 Li\n0.031100 0.169245 0.455699 Li\n0.207449 0.866700 0.288288 Li\n0.795863 0.549713 0.427609 Li\n0.468900 0.669245 0.455699 Li\n0.531100 0.330755 0.544301 Li\n0.204137 0.450287 0.572391 Li\n0.792551 0.133300 0.711712 Li\n0.968900 0.830755 0.544301 Li\n0.295863 0.950287 0.572391 Li\n0.037245 0.444266 0.697638 Li\n0.707449 0.633300 0.711712 Li\n0.950621 0.084973 0.855378 Li\n0.462755 0.944266 0.697638 Li\n0.503051 0.177169 0.928968 Li\n0.549379 0.584973 0.855378 Li\n0.996949 0.677169 0.928968 Li\n0.634109 0.351591 0.082203 B\n0.865891 0.851591 0.082203 B\n0.119359 0.499247 0.292034 B\n0.886689 0.183939 0.441527 B\n0.380641 0.999247 0.292034 B\n0.613311 0.683939 0.441527 B\n0.386689 0.316061 0.558473 B\n0.619359 0.000753 0.707966 B\n0.113311 0.816061 0.558473 B\n0.880641 0.500753 0.707966 B\n0.134109 0.148409 0.917797 B\n0.365891 0.648409 0.917797 B\n0.814701 0.327166 0.073500 Sb\n0.685299 0.827166 0.073500 Sb\n0.314701 0.172834 0.926500 Sb\n0.185299 0.672834 0.926500 Sb\n0.335641 0.449963 0.006607 O\n0.429460 0.040177 0.130239 O\n0.552851 0.324872 0.085677 O\n0.687105 0.193820 0.146629 O\n0.164359 0.949963 0.006607 O\n0.070540 0.540177 0.130239 O\n0.299963 0.058918 0.263958 O\n0.947149 0.824872 0.085677 O\n0.812895 0.693820 0.146629 O\n0.933307 0.263779 0.278538 O\n0.200037 0.558918 0.263958 O\n0.566693 0.763779 0.278538 O\n0.804736 0.218273 0.425949 O\n0.424253 0.423829 0.395176 O\n0.589498 0.090302 0.531148 O\n0.089498 0.409698 0.468852 O\n0.695264 0.718273 0.425949 O\n0.924253 0.076171 0.604824 O\n0.075747 0.923830 0.395176 O\n0.304736 0.281727 0.574051 O\n0.910502 0.590302 0.531148 O\n0.410502 0.909698 0.468852 O\n0.575747 0.576171 0.604824 O\n0.195264 0.781727 0.574051 O\n0.433307 0.236221 0.721462 O\n0.799963 0.441082 0.736042 O\n0.066693 0.736221 0.721462 O\n0.187105 0.306180 0.853371 O\n0.052851 0.175128 0.914323 O\n0.700037 0.941082 0.736042 O\n0.929460 0.459823 0.869761 O\n0.835641 0.050037 0.993393 O\n0.312895 0.806180 0.853371 O\n0.447149 0.675128 0.914323 O\n0.570540 0.959823 0.869761 O\n0.664359 0.550037 0.993393 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
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"B",
"Sb",
"O"
],
"chemical_system": "B-Li-O-Sb",
"density": 2.829313999561997,
"density_atomic": 0.0952619211709179,
"volume": 797.8004124401567,
"volume_molar": 6.321666292237736,
"formula_full": "Li24 B12 Sb4 O36",
"formula_reduced": "Li6B3SbO9",
"formula_anonymous": "AB3C6D9",
"energy": -508.7118159600001,
"energy_per_atom": -6.693576525789474,
"energy_above_hull": null,
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"energy_uncorrected": -483.97981596,
"band_gap": 3.6036,
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"updated_at": "2021-11-28T01:36:38.782000Z",
"spacegroup": 14
},
{
"id": "mp-1208483",
"created_at": "2022-09-04T14:44:26.571608Z",
"structure_string": "Sr8 Al2\n1.0\n-6.519113 -6.519113 0.000000\n-6.519113 0.000000 -6.519113\n0.000000 -6.519113 -6.519113\nSr Al\n8 2\ndirect\n0.612967 0.612967 0.612967 Sr\n0.161098 0.612967 0.612967 Sr\n0.612967 0.161098 0.612967 Sr\n0.588902 0.137033 0.137033 Sr\n0.137033 0.137033 0.137033 Sr\n0.612967 0.612967 0.161098 Sr\n0.137033 0.588902 0.137033 Sr\n0.137033 0.137033 0.588902 Sr\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Al"
],
"chemical_system": "Al-Sr",
"density": 2.2623316757047442,
"density_atomic": 0.01804697751741855,
"volume": 554.1094064282075,
"volume_molar": 33.36924841950715,
"formula_full": "Sr8 Al2",
"formula_reduced": "Sr4Al",
"formula_anonymous": "AB4",
"energy": -17.75325106,
"energy_per_atom": -1.775325106,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:38.265000Z",
"spacegroup": 227
},
{
"id": "mp-1191262",
"created_at": "2022-09-04T14:44:18.619273Z",
"structure_string": "Ga18 Ir4\n1.0\n6.433134 0.000000 0.000000\n0.000000 6.502479 0.000000\n0.000000 0.573226 8.989949\nGa Ir\n18 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.515829 0.398962 0.233252 Ga\n0.015829 0.601038 0.266748 Ga\n0.484171 0.601038 0.766748 Ga\n0.984171 0.398962 0.733252 Ga\n0.219440 0.102182 0.273878 Ga\n0.719440 0.897818 0.226122 Ga\n0.780560 0.897818 0.726122 Ga\n0.280560 0.102182 0.773878 Ga\n0.298676 0.388579 0.500298 Ga\n0.798676 0.611421 0.999702 Ga\n0.701324 0.611421 0.499702 Ga\n0.201324 0.388579 0.000298 Ga\n0.899395 0.213071 0.457516 Ga\n0.399395 0.786929 0.042484 Ga\n0.100605 0.786929 0.542484 Ga\n0.600605 0.213071 0.957516 Ga\n0.875812 0.261494 0.166916 Ir\n0.375812 0.738506 0.333084 Ir\n0.124188 0.738506 0.833084 Ir\n0.624188 0.261494 0.666916 Ir\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ga-Ir",
"density": 8.936665475302625,
"density_atomic": 0.05850108176217123,
"volume": 376.06142206802645,
"volume_molar": 10.294067354997388,
"formula_full": "Ga18 Ir4",
"formula_reduced": "Ga9Ir2",
"formula_anonymous": "A2B9",
"energy": -96.66247073,
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"updated_at": "2021-11-28T01:36:34.829000Z",
"spacegroup": 14
},
{
"id": "mp-1196944",
"created_at": "2022-09-04T14:44:18.622392Z",
"structure_string": "Nd6 Ge26 Ir8\n1.0\n9.126716 0.000000 0.000000\n0.000000 9.126716 0.000000\n0.000000 0.000000 9.126716\nNd Ge Ir\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Nd\n0.500000 0.250000 0.000000 Nd\n0.750000 0.000000 0.500000 Nd\n0.000000 0.500000 0.250000 Nd\n0.500000 0.750000 0.000000 Nd\n0.250000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.805731 0.353678 0.500000 Ge\n0.646322 0.500000 0.805731 Ge\n0.500000 0.194269 0.646322 Ge\n0.194269 0.646322 0.500000 Ge\n0.353678 0.500000 0.194269 Ge\n0.500000 0.805731 0.353678 Ge\n0.805731 0.646322 0.500000 Ge\n0.646322 0.500000 0.194269 Ge\n0.194269 0.353678 0.500000 Ge\n0.353678 0.500000 0.805731 Ge\n0.500000 0.805731 0.646322 Ge\n0.500000 0.194269 0.353678 Ge\n0.305731 0.000000 0.853678 Ge\n0.146322 0.305731 0.000000 Ge\n0.000000 0.146322 0.694269 Ge\n0.694269 0.000000 0.146322 Ge\n0.853678 0.694269 0.000000 Ge\n0.000000 0.853678 0.305731 Ge\n0.305731 0.000000 0.146322 Ge\n0.146322 0.694269 0.000000 Ge\n0.694269 0.000000 0.853678 Ge\n0.853678 0.305731 0.000000 Ge\n0.000000 0.146322 0.305731 Ge\n0.000000 0.853678 0.694269 Ge\n0.750000 0.250000 0.750000 Ir\n0.250000 0.750000 0.250000 Ir\n0.750000 0.750000 0.250000 Ir\n0.250000 0.250000 0.750000 Ir\n0.250000 0.750000 0.750000 Ir\n0.750000 0.250000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Ge",
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],
"chemical_system": "Ge-Ir-Nd",
"density": 9.374493157632521,
"density_atomic": 0.05261582464947746,
"volume": 760.2275601775111,
"volume_molar": 11.445493442550857,
"formula_full": "Nd6 Ge26 Ir8",
"formula_reduced": "Nd3Ge13Ir4",
"formula_anonymous": "A3B4C13",
"energy": -240.09009415000003,
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"updated_at": "2021-11-28T01:36:27.641000Z",
"spacegroup": 223
},
{
"id": "mp-1236204",
"created_at": "2022-09-04T14:44:18.626525Z",
"structure_string": "Li1 Tm1 U2 S3 O2\n1.0\n3.709348 0.000000 0.000000\n0.000000 3.741954 0.000000\n-1.854675 -1.870978 12.096650\nLi Tm U S O\n1 1 2 3 2\ndirect\n0.921398 0.421398 0.842796 Li\n0.029971 0.029971 0.059943 Tm\n0.301334 0.301334 0.602668 U\n0.689706 0.689706 0.379412 U\n0.134567 0.134567 0.269133 S\n0.861850 0.861850 0.723700 S\n0.497764 0.497764 0.995528 S\n0.246010 0.746010 0.492019 O\n0.745972 0.245972 0.491945 O\n",
"nsites": 9,
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"elements": [
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"U",
"S",
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],
"chemical_system": "Li-O-S-Tm-U",
"density": 7.715306308524306,
"density_atomic": 0.05360204641501085,
"volume": 167.90403728839013,
"volume_molar": 11.234908296921933,
"formula_full": "Li1 Tm1 U2 S3 O2",
"formula_reduced": "LiTmU2S3O2",
"formula_anonymous": "ABC2D2E3",
"energy": -72.55402889,
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"updated_at": "2021-11-28T01:36:36.342000Z",
"spacegroup": 44
},
{
"id": "mp-1207783",
"created_at": "2022-09-04T14:44:18.630820Z",
"structure_string": "Y8 Mg12 Zn16\n1.0\n4.766754 -8.256261 0.000000\n4.766754 8.256261 0.000000\n0.000000 0.000000 9.443180\nY Mg Zn\n8 12 16\ndirect\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.212325 0.424650 0.250000 Y\n0.787675 0.575350 0.750000 Y\n0.575350 0.787675 0.250000 Y\n0.424650 0.212325 0.750000 Y\n0.212325 0.787675 0.250000 Y\n0.787675 0.212325 0.750000 Y\n0.163265 0.326531 0.584632 Mg\n0.836735 0.673469 0.415368 Mg\n0.673469 0.836735 0.584632 Mg\n0.836735 0.673469 0.084632 Mg\n0.326531 0.163265 0.415368 Mg\n0.163265 0.326531 0.915368 Mg\n0.163265 0.836735 0.584632 Mg\n0.326531 0.163265 0.084632 Mg\n0.836735 0.163265 0.415368 Mg\n0.673469 0.836735 0.915368 Mg\n0.836735 0.163265 0.084632 Mg\n0.163265 0.836735 0.915368 Mg\n0.565448 0.130896 0.250000 Zn\n0.434552 0.869104 0.750000 Zn\n0.869104 0.434552 0.250000 Zn\n0.130896 0.565448 0.750000 Zn\n0.565448 0.434552 0.250000 Zn\n0.434552 0.565448 0.750000 Zn\n0.333333 0.666667 0.001505 Zn\n0.666667 0.333333 0.998495 Zn\n0.666667 0.333333 0.501505 Zn\n0.333333 0.666667 0.498495 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 36,
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"elements": [
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