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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=82",
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"results": [
{
"id": "mp-1016165",
"created_at": "2022-09-04T14:47:38.540216Z",
"structure_string": "Li2 Mn16 O32\n1.0\n5.901035 0.000000 0.000000\n0.000000 9.878917 0.000000\n0.000000 9.773906 9.981636\nLi Mn O\n2 16 32\ndirect\n0.374988 0.089393 0.421843 Li\n0.625012 0.089393 0.921843 Li\n0.625887 0.485102 0.346642 Mn\n0.124377 0.485958 0.345671 Mn\n0.625503 0.821162 0.830731 Mn\n0.124329 0.822858 0.830054 Mn\n0.123666 0.187589 0.160979 Mn\n0.626441 0.187925 0.161056 Mn\n0.125335 0.521671 0.646143 Mn\n0.625393 0.524307 0.643773 Mn\n0.875623 0.485958 0.845671 Mn\n0.374113 0.485102 0.846642 Mn\n0.875671 0.822858 0.330054 Mn\n0.374497 0.821162 0.330731 Mn\n0.876334 0.187589 0.660979 Mn\n0.373559 0.187925 0.661056 Mn\n0.874665 0.521671 0.146143 Mn\n0.374607 0.524307 0.143773 Mn\n0.874771 0.386352 0.657050 O\n0.375785 0.386334 0.657234 O\n0.875084 0.289967 0.038878 O\n0.375149 0.290310 0.039315 O\n0.874671 0.718090 0.953296 O\n0.375246 0.719032 0.952684 O\n0.875453 0.622441 0.335825 O\n0.374857 0.621890 0.335531 O\n0.125229 0.386352 0.157050 O\n0.624215 0.386334 0.157234 O\n0.124916 0.289967 0.538878 O\n0.624851 0.290310 0.539315 O\n0.624754 0.719032 0.452684 O\n0.125329 0.718090 0.453296 O\n0.625143 0.621890 0.835531 O\n0.124547 0.622441 0.835825 O\n0.625594 0.355862 0.838951 O\n0.124936 0.363127 0.837665 O\n0.126276 0.954871 0.201233 O\n0.624005 0.956208 0.199420 O\n0.125389 0.644461 0.152733 O\n0.624451 0.646265 0.152155 O\n0.625004 0.060484 0.792834 O\n0.125190 0.062492 0.788478 O\n0.875064 0.363127 0.337665 O\n0.374406 0.355862 0.338951 O\n0.873724 0.954871 0.701233 O\n0.375995 0.956208 0.699420 O\n0.874611 0.644461 0.652733 O\n0.375549 0.646265 0.652155 O\n0.874810 0.062492 0.288478 O\n0.374996 0.060484 0.292834 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.009095949696769,
"density_atomic": 0.08592721752151132,
"volume": 581.8878050773939,
"volume_molar": 7.008420537407018,
"formula_full": "Li2 Mn16 O32",
"formula_reduced": "LiMn8O16",
"formula_anonymous": "AB8C16",
"energy": -402.13576576,
"energy_per_atom": -8.0427153152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.46376576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 50.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.164000Z",
"spacegroup": 7
},
{
"id": "mp-1016190",
"created_at": "2022-09-04T14:42:21.154605Z",
"structure_string": "K4 Mn12 O24\n1.0\n2.901565 6.656614 0.000000\n-2.901565 6.656614 0.000000\n0.000000 0.617900 15.842477\nK Mn O\n4 12 24\ndirect\n0.658493 0.321889 0.600576 K\n0.321889 0.658493 0.100576 K\n0.678111 0.341507 0.899424 K\n0.341507 0.678111 0.399424 K\n0.372345 0.127311 0.250281 Mn\n0.872689 0.627655 0.249719 Mn\n0.361910 0.112966 0.580811 Mn\n0.866972 0.619717 0.581392 Mn\n0.887034 0.638090 0.919189 Mn\n0.380283 0.133028 0.918608 Mn\n0.627655 0.872689 0.749719 Mn\n0.127311 0.372345 0.750281 Mn\n0.112966 0.361910 0.080811 Mn\n0.619717 0.866972 0.081392 Mn\n0.638090 0.887034 0.419189 Mn\n0.133028 0.380283 0.418608 Mn\n0.810522 0.560400 0.815886 O\n0.306494 0.061053 0.814747 O\n0.439600 0.189478 0.684114 O\n0.938947 0.693506 0.685253 O\n0.061053 0.306494 0.314747 O\n0.560400 0.810522 0.315886 O\n0.189478 0.439600 0.184114 O\n0.693506 0.938947 0.185253 O\n0.706192 0.964191 0.873029 O\n0.214796 0.458404 0.873662 O\n0.035809 0.293808 0.626971 O\n0.541596 0.785204 0.626338 O\n0.458404 0.214796 0.373662 O\n0.964191 0.706192 0.373029 O\n0.785204 0.541596 0.126338 O\n0.293808 0.035809 0.126971 O\n0.554266 0.799792 0.971699 O\n0.046425 0.305699 0.970480 O\n0.200208 0.445734 0.528301 O\n0.694301 0.953575 0.529520 O\n0.305699 0.046425 0.470480 O\n0.799792 0.554266 0.471699 O\n0.953575 0.694301 0.029520 O\n0.445734 0.200208 0.028301 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.255064432454392,
"density_atomic": 0.06536138290785613,
"volume": 611.9821555243162,
"volume_molar": 9.213606707939109,
"formula_full": "K4 Mn12 O24",
"formula_reduced": "KMn3O6",
"formula_anonymous": "AB3C6",
"energy": -311.8355606,
"energy_per_atom": -7.795889015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.3315606,
"band_gap": 0.9801,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.0004602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.471000Z",
"spacegroup": 15
},
{
"id": "mp-1016197",
"created_at": "2022-09-04T14:47:30.816854Z",
"structure_string": "Mg2 Si2 As4\n1.0\n-2.975595 2.975595 5.445030\n2.975595 -2.975595 5.445030\n2.975595 2.975595 -5.445030\nMg Si As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.375000 0.911176 0.036176 As\n0.661176 0.625000 0.536176 As\n0.088824 0.125000 0.463824 As\n0.875000 0.338824 0.963824 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"As"
],
"chemical_system": "As-Mg-Si",
"density": 3.4827693354362577,
"density_atomic": 0.04148413875601717,
"volume": 192.84478935553702,
"volume_molar": 14.516730829144919,
"formula_full": "Mg2 Si2 As4",
"formula_reduced": "MgSiAs2",
"formula_anonymous": "ABC2",
"energy": -35.17072671,
"energy_per_atom": -4.39634083875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.17072671,
"band_gap": 1.4742000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.662000Z",
"spacegroup": 122
},
{
"id": "mp-10162",
"created_at": "2022-09-04T14:44:55.988592Z",
"structure_string": "La6 Si4\n1.0\n7.932977 0.000000 0.000000\n0.000000 7.932977 0.000000\n0.000000 0.000000 4.439095\nLa Si\n6 4\ndirect\n0.824079 0.675921 0.500000 La\n0.324079 0.824079 0.500000 La\n0.175921 0.324079 0.500000 La\n0.675921 0.175921 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 La\n0.109351 0.609351 0.000000 Si\n0.609351 0.890649 0.000000 Si\n0.390649 0.109351 0.000000 Si\n0.890649 0.390649 0.000000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"La",
"Si"
],
"chemical_system": "La-Si",
"density": 5.621730409449598,
"density_atomic": 0.03579589045538073,
"volume": 279.3616773541341,
"volume_molar": 16.823553439763,
"formula_full": "La6 Si4",
"formula_reduced": "La3Si2",
"formula_anonymous": "A2B3",
"energy": -57.32762643,
"energy_per_atom": -5.732762643,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.61162643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0340839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.731000Z",
"spacegroup": 127
},
{
"id": "mp-1016200",
"created_at": "2022-09-04T14:47:21.504156Z",
"structure_string": "Mg2 Ge2 As4\n1.0\n-3.010508 3.010508 5.656759\n3.010508 -3.010508 5.656759\n3.010508 3.010508 -5.656759\nMg Ge As\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.875000 0.398416 0.023416 As\n0.601584 0.625000 0.476584 As\n0.375000 0.851584 0.976584 As\n0.148416 0.125000 0.523416 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"As"
],
"chemical_system": "As-Ge-Mg",
"density": 3.9966511699982687,
"density_atomic": 0.039010610592671434,
"volume": 205.0724117992372,
"volume_molar": 15.43718662309614,
"formula_full": "Mg2 Ge2 As4",
"formula_reduced": "MgGeAs2",
"formula_anonymous": "ABC2",
"energy": -33.23072993,
"energy_per_atom": -4.15384124125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.23072993,
"band_gap": 0.9363,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.584000Z",
"spacegroup": 122
},
{
"id": "mp-1016212",
"created_at": "2022-09-04T14:42:57.732818Z",
"structure_string": "Sn12 H24 C4 N4 O28\n1.0\n6.423399 0.000000 0.000000\n0.000000 11.469900 0.000000\n0.000000 7.985937 12.755696\nSn H C N O\n12 24 4 4 28\ndirect\n0.795946 0.595510 0.922297 Sn\n0.768097 0.314665 0.689865 Sn\n0.731903 0.314665 0.189865 Sn\n0.268097 0.685335 0.810135 Sn\n0.962930 0.591691 0.678120 Sn\n0.231903 0.685335 0.310135 Sn\n0.462930 0.408309 0.821880 Sn\n0.295946 0.404490 0.577703 Sn\n0.037070 0.408309 0.321880 Sn\n0.537070 0.591691 0.178120 Sn\n0.704054 0.595510 0.422297 Sn\n0.204054 0.404490 0.077703 Sn\n0.514392 0.108687 0.083977 H\n0.935732 0.943056 0.666922 H\n0.282038 0.958664 0.493253 H\n0.061405 0.017044 0.877630 H\n0.064268 0.056944 0.333078 H\n0.938595 0.982956 0.122370 H\n0.435732 0.056944 0.833078 H\n0.985608 0.108687 0.583977 H\n0.158796 0.937357 0.308513 H\n0.841204 0.062643 0.691487 H\n0.564268 0.943056 0.166922 H\n0.782038 0.041336 0.006747 H\n0.621319 0.160957 0.538725 H\n0.438595 0.017044 0.377630 H\n0.717962 0.041336 0.506747 H\n0.561405 0.982956 0.622370 H\n0.878681 0.160957 0.038725 H\n0.658796 0.062643 0.191487 H\n0.014392 0.891313 0.416023 H\n0.341204 0.937357 0.808513 H\n0.121319 0.839043 0.961275 H\n0.378681 0.839043 0.461275 H\n0.217962 0.958664 0.993253 H\n0.485608 0.891313 0.916023 H\n0.819233 0.056356 0.070652 C\n0.180767 0.943644 0.929348 C\n0.319233 0.943644 0.429348 C\n0.680767 0.056356 0.570652 C\n0.372039 0.960369 0.867761 N\n0.627961 0.039631 0.132239 N\n0.872039 0.039631 0.632239 N\n0.127961 0.960369 0.367761 N\n0.734903 0.427909 0.268667 O\n0.481814 0.456450 0.124615 O\n0.558825 0.659609 0.283275 O\n0.792208 0.121617 0.768992 O\n0.707792 0.121617 0.268992 O\n0.137982 0.600392 0.959027 O\n0.765097 0.427909 0.768667 O\n0.981814 0.543550 0.375385 O\n0.874269 0.764092 0.556681 O\n0.207792 0.878383 0.231008 O\n0.180411 0.247041 0.580939 O\n0.441175 0.340391 0.716725 O\n0.518186 0.543550 0.875385 O\n0.319589 0.247041 0.080939 O\n0.680411 0.752959 0.919061 O\n0.362018 0.600392 0.459027 O\n0.265097 0.572091 0.731333 O\n0.234903 0.572091 0.231333 O\n0.819589 0.752959 0.419061 O\n0.018186 0.456450 0.624615 O\n0.941175 0.659609 0.783275 O\n0.125731 0.235908 0.443319 O\n0.374269 0.235908 0.943319 O\n0.862018 0.399608 0.040973 O\n0.625731 0.764092 0.056681 O\n0.292208 0.878383 0.731008 O\n0.637982 0.399608 0.540973 O\n0.058825 0.340391 0.216725 O\n",
"nsites": 72,
"nelements": 5,
"elements": [
"Sn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Sn",
"density": 3.5352174425589986,
"density_atomic": 0.0766132356893591,
"volume": 939.7853954626819,
"volume_molar": 7.860444355095189,
"formula_full": "Sn12 H24 C4 N4 O28",
"formula_reduced": "Sn3H6CNO7",
"formula_anonymous": "ABC3D6E7",
"energy": -413.7221269,
"energy_per_atom": -5.746140651388888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -393.0421269,
"band_gap": 1.0608,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9929494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.346000Z",
"spacegroup": 14
},
{
"id": "mp-1016213",
"created_at": "2022-09-04T14:47:20.499319Z",
"structure_string": "Sn6 H16 C4 N2 O14\n1.0\n6.963318 0.000000 0.000000\n0.000000 8.296222 0.000000\n0.000000 1.280222 9.166786\nSn H C N O\n6 16 4 2 14\ndirect\n0.314798 0.702070 0.665506 Sn\n0.100434 0.981748 0.422236 Sn\n0.819677 0.598191 0.578273 Sn\n0.600434 0.018252 0.577764 Sn\n0.319677 0.401809 0.421727 Sn\n0.814798 0.297930 0.334494 Sn\n0.039664 0.308727 0.002514 H\n0.539664 0.691273 0.997486 H\n0.598164 0.966477 0.021759 H\n0.098164 0.033523 0.978241 H\n0.638198 0.626907 0.160314 H\n0.969573 0.136197 0.822527 H\n0.138198 0.373093 0.839686 H\n0.355900 0.411028 0.036394 H\n0.469573 0.863803 0.177473 H\n0.452934 0.271542 0.921200 H\n0.344975 0.193584 0.093164 H\n0.723939 0.905794 0.189891 H\n0.223939 0.094206 0.810109 H\n0.855900 0.588972 0.963606 H\n0.844975 0.806416 0.906836 H\n0.952934 0.728458 0.078800 H\n0.840803 0.708701 0.999763 C\n0.340803 0.291299 0.000237 C\n0.106938 0.124381 0.881031 C\n0.606938 0.875619 0.118969 C\n0.149450 0.284390 0.930080 N\n0.649450 0.715610 0.069920 N\n0.667426 0.057026 0.772365 O\n0.167426 0.942974 0.227635 O\n0.814709 0.042294 0.424155 O\n0.826485 0.311579 0.127494 O\n0.314709 0.957706 0.575845 O\n0.806853 0.526335 0.383570 O\n0.598423 0.759270 0.579140 O\n0.851925 0.443411 0.749121 O\n0.544012 0.240685 0.441952 O\n0.098423 0.240730 0.420860 O\n0.306853 0.473665 0.616430 O\n0.044012 0.759315 0.558048 O\n0.351925 0.556589 0.250879 O\n0.326485 0.688421 0.872506 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Sn",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Sn",
"density": 3.2248698466708254,
"density_atomic": 0.0793113977501766,
"volume": 529.5581869871469,
"volume_molar": 7.593033196778569,
"formula_full": "Sn6 H16 C4 N2 O14",
"formula_reduced": "Sn3H8C2NO7",
"formula_anonymous": "AB2C3D7E8",
"energy": -237.52833111,
"energy_per_atom": -5.655436455,
"energy_above_hull": null,
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"energy_uncorrected": -227.18833111000004,
"band_gap": 0.0666999999999999,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:05.500000Z",
"spacegroup": 4
},
{
"id": "mp-1016214",
"created_at": "2022-09-04T14:41:35.982378Z",
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{
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{
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{
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{
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}