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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=1752",
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"results": [
{
"id": "mp-541990",
"created_at": "2022-09-04T14:42:23.916299Z",
"structure_string": "Sr4 Mn8 P8 O32\n1.0\n8.979174 0.000000 0.000000\n0.051420 9.209364 0.000000\n0.103986 3.295165 8.612522\nSr Mn P O\n4 8 8 32\ndirect\n0.256763 0.797808 0.191511 Sr\n0.743237 0.202192 0.808489 Sr\n0.249618 0.388208 0.609134 Sr\n0.750382 0.611792 0.390866 Sr\n0.071463 0.992591 0.752155 Mn\n0.928537 0.007409 0.247845 Mn\n0.238344 0.626671 0.876538 Mn\n0.761656 0.373329 0.123462 Mn\n0.610120 0.745159 0.982692 Mn\n0.389880 0.254841 0.017308 Mn\n0.716057 0.894017 0.610855 Mn\n0.283943 0.105983 0.389145 Mn\n0.070718 0.780849 0.530294 P\n0.929282 0.219151 0.469706 P\n0.061637 0.255037 0.946072 P\n0.938363 0.744963 0.053928 P\n0.426563 0.468806 0.224856 P\n0.573437 0.531194 0.775144 P\n0.419490 0.044488 0.766014 P\n0.580510 0.955512 0.233986 P\n0.108519 0.623956 0.521121 O\n0.891481 0.376044 0.478879 O\n0.901198 0.820403 0.496527 O\n0.098802 0.179597 0.503473 O\n0.112204 0.791895 0.689540 O\n0.887796 0.208105 0.310460 O\n0.844439 0.088551 0.604224 O\n0.155561 0.911449 0.395776 O\n0.092048 0.679890 0.032321 O\n0.907952 0.320110 0.967679 O\n0.109826 0.115249 0.090631 O\n0.890174 0.884751 0.909369 O\n0.048852 0.204101 0.802351 O\n0.951148 0.795899 0.197649 O\n0.186738 0.381236 0.907716 O\n0.813262 0.618764 0.092284 O\n0.352899 0.524697 0.346870 O\n0.647101 0.475303 0.653130 O\n0.406419 0.566608 0.740141 O\n0.593581 0.433392 0.259859 O\n0.654959 0.676872 0.784325 O\n0.345041 0.323128 0.215675 O\n0.409426 0.604620 0.061088 O\n0.590574 0.395380 0.938912 O\n0.387997 0.109516 0.590487 O\n0.612003 0.890484 0.409513 O\n0.576379 0.963599 0.794141 O\n0.423621 0.036401 0.205859 O\n0.296808 0.930592 0.860781 O\n0.703192 0.069408 0.139219 O\n0.568732 0.813488 0.179632 O\n0.431268 0.186512 0.820368 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.613398374436217,
"density_atomic": 0.07301413980796723,
"volume": 712.1908186108058,
"volume_molar": 8.247910303180577,
"formula_full": "Sr4 Mn8 P8 O32",
"formula_reduced": "SrMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -428.21286881,
"energy_per_atom": -8.234862861730768,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -392.88486881,
"band_gap": 3.3013000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0005937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.846000Z",
"spacegroup": 2
},
{
"id": "mp-1201132",
"created_at": "2022-09-04T14:46:33.637117Z",
"structure_string": "Sr2 Mn6 P6 O24\n1.0\n-3.354098 5.220064 7.033851\n3.354098 -5.220064 7.033851\n3.354098 5.220064 -7.033851\nSr Mn P O\n2 6 6 24\ndirect\n0.250000 0.356973 0.106973 Sr\n0.750000 0.643027 0.893027 Sr\n0.118046 0.118046 0.500000 Mn\n0.381954 0.881954 0.000000 Mn\n0.618046 0.118046 0.000000 Mn\n0.881954 0.881954 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.250000 0.842980 0.592980 P\n0.750000 0.157020 0.407020 P\n0.323544 0.323544 0.500000 P\n0.176456 0.676456 0.000000 P\n0.823544 0.323544 0.000000 P\n0.676456 0.676456 0.500000 P\n0.160695 0.621582 0.460887 O\n0.839305 0.378418 0.539113 O\n0.660695 0.199808 0.539113 O\n0.339305 0.800192 0.460887 O\n0.132695 0.989545 0.622240 O\n0.632695 0.010455 0.143149 O\n0.867305 0.010455 0.377760 O\n0.367305 0.989545 0.856851 O\n0.428939 0.560654 0.721988 O\n0.161333 0.439346 0.868284 O\n0.928939 0.206951 0.868284 O\n0.661333 0.793049 0.721988 O\n0.571061 0.439346 0.278012 O\n0.838667 0.560654 0.131716 O\n0.071061 0.793049 0.131716 O\n0.338667 0.206951 0.278012 O\n0.138782 0.301061 0.440646 O\n0.139585 0.698939 0.837721 O\n0.638782 0.198136 0.837721 O\n0.639585 0.801864 0.440646 O\n0.861218 0.698939 0.559354 O\n0.860415 0.301061 0.162279 O\n0.361218 0.801864 0.162279 O\n0.360415 0.198136 0.559354 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.6226817026771667,
"density_atomic": 0.0771398634341091,
"volume": 492.6117095405365,
"volume_molar": 7.8067817233614365,
"formula_full": "Sr2 Mn6 P6 O24",
"formula_reduced": "SrMn3(PO4)3",
"formula_anonymous": "AB3C3D12",
"energy": -312.99383878,
"energy_per_atom": -8.236679967894736,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -286.49783878,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.860000Z",
"spacegroup": 74
},
{
"id": "mp-1046462",
"created_at": "2022-09-04T14:39:23.539358Z",
"structure_string": "Sr2 Mn2 P4 O16\n1.0\n5.745377 0.000000 0.000000\n-1.150661 6.959347 0.000000\n-1.833323 -3.446631 8.163075\nSr Mn P O\n2 2 4 16\ndirect\n0.248902 0.767800 0.038445 Sr\n0.751098 0.232200 0.961555 Sr\n0.678090 0.836264 0.552809 Mn\n0.321910 0.163736 0.447191 Mn\n0.400841 0.434814 0.237570 P\n0.599159 0.565186 0.762430 P\n0.849945 0.024740 0.302736 P\n0.150055 0.975260 0.697264 P\n0.826475 0.561976 0.882524 O\n0.631299 0.465033 0.183734 O\n0.642873 0.782003 0.739385 O\n0.939271 0.093962 0.702842 O\n0.368701 0.534967 0.816266 O\n0.983405 0.755738 0.565685 O\n0.016595 0.244262 0.434315 O\n0.278819 0.987732 0.864632 O\n0.357127 0.217997 0.260615 O\n0.721181 0.012268 0.135368 O\n0.173525 0.438024 0.117476 O\n0.424321 0.607986 0.409422 O\n0.575679 0.392014 0.590578 O\n0.645922 0.946177 0.376746 O\n0.060729 0.906038 0.297158 O\n0.354078 0.053823 0.623254 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.3832254386051552,
"density_atomic": 0.07353099320308842,
"volume": 326.3929800827437,
"volume_molar": 8.189935288058996,
"formula_full": "Sr2 Mn2 P4 O16",
"formula_reduced": "SrMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -185.88923697,
"energy_per_atom": -7.745384873750001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -171.56123697,
"band_gap": 0.3239999999999998,
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"is_magnetic": true,
"total_magnetization": 6.0012363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.110000Z",
"spacegroup": 2
},
{
"id": "mp-1208769",
"created_at": "2022-09-04T14:39:13.404823Z",
"structure_string": "Sr4 Mn4 P8 O28\n1.0\n8.524768 0.000000 0.000000\n0.000000 5.450372 0.000000\n0.000000 5.424681 12.910115\nSr Mn P O\n4 4 8 28\ndirect\n0.329899 0.436614 0.776008 Sr\n0.670101 0.563386 0.223992 Sr\n0.829899 0.563386 0.723992 Sr\n0.170101 0.436614 0.276008 Sr\n0.645674 0.926594 0.896002 Mn\n0.354326 0.073406 0.103998 Mn\n0.145674 0.073406 0.603998 Mn\n0.854326 0.926594 0.396002 Mn\n0.296118 0.704905 0.979823 P\n0.703882 0.295095 0.020177 P\n0.796118 0.295095 0.520177 P\n0.203882 0.704905 0.479823 P\n0.033462 0.909132 0.838135 P\n0.966538 0.090868 0.161865 P\n0.533462 0.090868 0.661865 P\n0.466538 0.909132 0.338135 P\n0.117956 0.789850 0.768245 O\n0.882044 0.210150 0.231755 O\n0.617956 0.210150 0.731755 O\n0.382044 0.789850 0.268245 O\n0.362316 0.182044 0.649066 O\n0.637684 0.817956 0.350934 O\n0.862316 0.817956 0.850934 O\n0.137684 0.182044 0.149066 O\n0.332693 0.441712 0.968357 O\n0.667307 0.558288 0.031643 O\n0.832693 0.558288 0.531643 O\n0.167307 0.441712 0.468357 O\n0.185907 0.695147 0.590523 O\n0.814093 0.304853 0.409477 O\n0.685907 0.304853 0.909477 O\n0.314093 0.695147 0.090523 O\n0.111789 0.775081 0.952785 O\n0.888211 0.224919 0.047215 O\n0.611789 0.224919 0.547215 O\n0.388211 0.775081 0.452785 O\n0.053120 0.210441 0.799638 O\n0.946880 0.789559 0.200362 O\n0.553120 0.789559 0.700362 O\n0.446880 0.210441 0.299638 O\n0.391254 0.937884 0.902056 O\n0.608746 0.062116 0.097944 O\n0.891254 0.062116 0.597944 O\n0.108746 0.937884 0.402056 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.5046597217423856,
"density_atomic": 0.07335231963651184,
"volume": 599.8446977278488,
"volume_molar": 8.209884554219904,
"formula_full": "Sr4 Mn4 P8 O28",
"formula_reduced": "SrMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -353.72683937,
"energy_per_atom": -8.039246349318182,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -327.81883937,
"band_gap": 3.933100000000001,
"is_gap_direct": true,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.798000Z",
"spacegroup": 14
},
{
"id": "mp-559244",
"created_at": "2022-09-04T14:43:03.644239Z",
"structure_string": "Sr8 Mn4 P12 O44\n1.0\n6.939324 0.000000 0.000000\n0.000000 6.749338 0.000000\n0.000000 3.191704 19.181901\nSr Mn P O\n8 4 12 44\ndirect\n0.956846 0.337804 0.767024 Sr\n0.359078 0.680759 0.427026 Sr\n0.640922 0.319241 0.572974 Sr\n0.456846 0.662196 0.732976 Sr\n0.859078 0.319241 0.072974 Sr\n0.043154 0.662196 0.232976 Sr\n0.140922 0.680759 0.927026 Sr\n0.543154 0.337804 0.267024 Sr\n0.371112 0.039659 0.123516 Mn\n0.628888 0.960341 0.876484 Mn\n0.871112 0.960341 0.376484 Mn\n0.128888 0.039659 0.623516 Mn\n0.956130 0.822586 0.771325 P\n0.689882 0.821809 0.043101 P\n0.043870 0.177414 0.228675 P\n0.638014 0.441133 0.908055 P\n0.361986 0.558867 0.091945 P\n0.310118 0.178191 0.956899 P\n0.138014 0.558867 0.591945 P\n0.189882 0.178191 0.456899 P\n0.810118 0.821809 0.543101 P\n0.543870 0.822586 0.271325 P\n0.456130 0.177414 0.728675 P\n0.861986 0.441133 0.408055 P\n0.498896 0.310750 0.967879 O\n0.318154 0.703916 0.143131 O\n0.181846 0.703916 0.643131 O\n0.886380 0.922513 0.835657 O\n0.977649 0.627597 0.375387 O\n0.195023 0.310306 0.254548 O\n0.687959 0.490590 0.449545 O\n0.622943 0.999758 0.079617 O\n0.001104 0.310750 0.467879 O\n0.838265 0.691877 0.085046 O\n0.681846 0.296084 0.856869 O\n0.338265 0.308123 0.414954 O\n0.998896 0.689250 0.532121 O\n0.133370 0.694346 0.797502 O\n0.812041 0.490590 0.949545 O\n0.988646 0.990841 0.284219 O\n0.022351 0.372403 0.624613 O\n0.661735 0.691877 0.585046 O\n0.759143 0.908456 0.968230 O\n0.377057 0.000242 0.920383 O\n0.304977 0.310306 0.754548 O\n0.613620 0.922513 0.335657 O\n0.695023 0.689694 0.245452 O\n0.866630 0.305654 0.202498 O\n0.312041 0.509410 0.550455 O\n0.501104 0.689250 0.032121 O\n0.113620 0.077487 0.164343 O\n0.259143 0.091544 0.531770 O\n0.366630 0.694346 0.297502 O\n0.011354 0.009159 0.715781 O\n0.187959 0.509410 0.050455 O\n0.511354 0.990841 0.784219 O\n0.818154 0.296084 0.356869 O\n0.522351 0.627597 0.875387 O\n0.877057 0.999758 0.579617 O\n0.122943 0.000242 0.420383 O\n0.633370 0.305654 0.702498 O\n0.477649 0.372403 0.124613 O\n0.386380 0.077487 0.664343 O\n0.488646 0.009159 0.215781 O\n0.161735 0.308123 0.914954 O\n0.740857 0.908456 0.468230 O\n0.240857 0.091544 0.031770 O\n0.804977 0.689694 0.745452 O\n",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Mn-O-P-Sr",
"density": 3.6899488427487026,
"density_atomic": 0.07569007305588017,
"volume": 898.4005068907416,
"volume_molar": 7.956315163752052,
"formula_full": "Sr8 Mn4 P12 O44",
"formula_reduced": "Sr2MnP3O11",
"formula_anonymous": "AB2C3D11",
"energy": -534.25620797,
"energy_per_atom": -7.856708940735294,
"energy_above_hull": null,
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"energy_uncorrected": -497.35620797,
"band_gap": 0.1034999999999999,
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"total_magnetization": 16.0000198,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.059000Z",
"spacegroup": 14
},
{
"id": "mp-1079195",
"created_at": "2022-09-04T14:46:16.308305Z",
"structure_string": "Sr2 Mn2 P2 F2\n1.0\n4.177430 0.000000 0.000000\n0.000000 4.177430 0.000000\n0.000000 0.000000 9.122368\nSr Mn P F\n2 2 2 2\ndirect\n0.000000 0.500000 0.847500 Sr\n0.500000 0.000000 0.152500 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.334570 P\n0.500000 0.000000 0.665430 P\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"F"
],
"chemical_system": "F-Mn-P-Sr",
"density": 4.01653936462842,
"density_atomic": 0.050253236424778434,
"volume": 159.1937269945748,
"volume_molar": 11.983587900879265,
"formula_full": "Sr2 Mn2 P2 F2",
"formula_reduced": "SrMnPF",
"formula_anonymous": "ABCD",
"energy": -51.67802554,
"energy_per_atom": -6.4597531925,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -47.41802554,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:28.150000Z",
"spacegroup": 129
},
{
"id": "mp-1106083",
"created_at": "2022-09-04T14:41:54.559444Z",
"structure_string": "Sr2 Mn2 O2 F10\n1.0\n7.798939 0.000000 0.000000\n0.000000 5.369193 0.000000\n0.000000 2.119335 5.699044\nSr Mn O F\n2 2 2 10\ndirect\n0.250000 0.914475 0.384178 Sr\n0.750000 0.085525 0.615822 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.250000 0.344040 0.557607 O\n0.750000 0.655960 0.442393 O\n0.250000 0.359420 0.036736 F\n0.750000 0.640580 0.963264 F\n0.054793 0.713634 0.174014 F\n0.554793 0.286366 0.825986 F\n0.945207 0.286366 0.825986 F\n0.445207 0.713634 0.174014 F\n0.037692 0.789227 0.714237 F\n0.537692 0.210773 0.285763 F\n0.962308 0.210773 0.285763 F\n0.462308 0.789227 0.714237 F\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O-Sr",
"density": 3.5285415515722662,
"density_atomic": 0.06704608662818752,
"volume": 238.64181795918986,
"volume_molar": 8.982091368578358,
"formula_full": "Sr2 Mn2 O2 F10",
"formula_reduced": "SrMnOF5",
"formula_anonymous": "ABCD5",
"energy": -91.11824907,
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"updated_at": "2021-11-28T01:35:30.381000Z",
"spacegroup": 11
},
{
"id": "mp-1275358",
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{
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"formula_full": "Sr8 Mn4 Nb4 O24",
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{
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"structure_string": "Sr8 Mn4 Nb4 O24\n1.0\n5.744344 -5.743419 -0.000036\n-5.740816 -5.739891 -0.000211\n0.001644 -5.741814 -7.885447\nSr Mn Nb O\n8 4 4 24\ndirect\n0.874944 0.374965 0.750128 Sr\n0.625061 0.625082 0.249880 Sr\n0.125074 0.125082 0.249878 Sr\n0.374972 0.874971 0.750096 Sr\n0.375055 0.375049 0.749856 Sr\n0.124947 0.624946 0.250084 Sr\n0.624940 0.124921 0.250103 Sr\n0.875055 0.875047 0.749864 Sr\n0.249917 0.250065 0.500061 Mn\n0.000072 0.500025 0.000134 Mn\n0.500002 0.999969 0.999871 Mn\n0.750020 0.749799 0.500118 Mn\n0.499995 0.499966 0.000057 Nb\n0.250016 0.750033 0.500001 Nb\n0.749969 0.249969 0.499997 Nb\n0.999965 0.999994 0.000052 Nb\n0.128508 0.128460 0.743219 O\n0.878510 0.378408 0.243257 O\n0.378545 0.878466 0.243164 O\n0.628543 0.628395 0.743218 O\n0.371450 0.371600 0.256788 O\n0.121451 0.621555 0.756830 O\n0.621483 0.121584 0.756749 O\n0.871488 0.871528 0.256789 O\n0.993586 0.289593 0.500227 O\n0.743747 0.539740 0.999946 O\n0.243741 0.039729 0.999967 O\n0.493647 0.789590 0.500225 O\n0.256402 0.460436 0.999729 O\n0.006240 0.710265 0.500020 O\n0.506287 0.210300 0.500017 O\n0.756376 0.960418 0.999772 O\n0.289794 0.506171 0.499853 O\n0.039657 0.756069 0.000087 O\n0.539609 0.256035 0.000161 O\n0.789759 0.006199 0.499854 O\n0.960224 0.243825 0.000124 O\n0.710364 0.493929 0.499850 O\n0.210363 0.993990 0.499854 O\n0.460221 0.743833 0.000120 O\n",
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{
"id": "mp-1078887",
"created_at": "2022-09-04T14:41:29.483864Z",
"structure_string": "Sr2 Mn1 Nb1 O6\n1.0\n-4.028118 -4.028118 0.000000\n-4.028118 0.000000 -4.028118\n0.000000 -4.028118 -4.028118\nSr Mn Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.748567 0.251433 0.251433 O\n0.748567 0.251433 0.748567 O\n0.748567 0.748567 0.251433 O\n0.251433 0.748567 0.748567 O\n0.251433 0.748567 0.251433 O\n0.251433 0.251433 0.748567 O\n",
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"formula_full": "Sr2 Mn1 Nb1 O6",
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{
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"structure_string": "Sr8 Mn4 Nb4 O24\n1.0\n-3.963533 -4.062205 0.020635\n-3.964014 4.103546 -8.143567\n7.942836 -4.057134 -4.055895\nSr Mn Nb O\n8 4 4 24\ndirect\n0.813488 0.936870 0.625781 Sr\n0.562475 0.188198 0.125800 Sr\n0.314634 0.436689 0.625531 Sr\n0.062665 0.688115 0.125673 Sr\n0.938110 0.311232 0.874213 Sr\n0.686892 0.562768 0.374298 Sr\n0.437394 0.811402 0.874360 Sr\n0.185863 0.062699 0.374431 Sr\n0.250584 0.749975 0.500172 Mn\n0.500093 0.499759 0.999895 Mn\n0.999804 0.999637 0.999924 Mn\n0.750123 0.249917 0.499967 Mn\n0.382388 0.117006 0.750123 Nb\n0.117513 0.382778 0.249873 Nb\n0.883431 0.616976 0.750018 Nb\n0.616994 0.882774 0.250047 Nb\n0.329823 0.921366 0.632265 O\n0.045925 0.209513 0.119686 O\n0.829558 0.421296 0.632142 O\n0.545916 0.709489 0.119877 O\n0.702700 0.045595 0.867568 O\n0.414509 0.332135 0.379234 O\n0.203691 0.545657 0.867355 O\n0.912059 0.831397 0.380555 O\n0.577762 0.176741 0.624249 O\n0.303255 0.451974 0.124147 O\n0.081732 0.675875 0.625161 O\n0.804841 0.951781 0.125176 O\n0.452974 0.290793 0.879912 O\n0.169868 0.579080 0.367189 O\n0.953622 0.790792 0.879766 O\n0.669370 0.079044 0.367309 O\n0.085290 0.168392 0.620965 O\n0.796277 0.454765 0.133241 O\n0.588256 0.669177 0.619991 O\n0.296924 0.954940 0.132660 O\n0.195336 0.047956 0.875202 O\n0.922487 0.323320 0.375959 O\n0.696383 0.548028 0.875278 O\n0.418993 0.824098 0.375008 O\n",
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}
]
}