HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=20",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=18",
"results": [
{
"id": "mp-757472",
"created_at": "2022-09-04T14:48:13.705940Z",
"structure_string": "Li14 Mn14 P16 O68\n1.0\n20.042785 0.000000 0.000000\n0.000000 8.187548 0.000000\n0.000000 3.394032 9.437336\nLi Mn P O\n14 14 16 68\ndirect\n0.000000 0.000000 0.500000 Li\n0.375134 0.757363 0.891610 Li\n0.500000 0.000000 0.000000 Li\n0.124866 0.757363 0.391610 Li\n0.931280 0.484824 0.824654 Li\n0.247849 0.543115 0.692361 Li\n0.747849 0.456885 0.807639 Li\n0.568720 0.484824 0.324654 Li\n0.431280 0.515176 0.675346 Li\n0.252151 0.543115 0.192361 Li\n0.752151 0.456885 0.307639 Li\n0.068720 0.515176 0.175346 Li\n0.875134 0.242637 0.608390 Li\n0.624866 0.242637 0.108390 Li\n0.665134 0.008829 0.925561 Mn\n0.086181 0.886929 0.900328 Mn\n0.834866 0.008829 0.425561 Mn\n0.413819 0.886929 0.400328 Mn\n0.638304 0.721815 0.777309 Mn\n0.861696 0.721815 0.277309 Mn\n0.000000 0.500000 0.500000 Mn\n0.138304 0.278185 0.722691 Mn\n0.500000 0.500000 0.000000 Mn\n0.361696 0.278185 0.222691 Mn\n0.586181 0.113071 0.599672 Mn\n0.165134 0.991171 0.574439 Mn\n0.913819 0.113071 0.099672 Mn\n0.334866 0.991171 0.074439 Mn\n0.732868 0.040425 0.645756 P\n0.491985 0.831962 0.688374 P\n0.767132 0.040425 0.145756 P\n0.079361 0.636815 0.713260 P\n0.853301 0.637964 0.572411 P\n0.008015 0.831962 0.188374 P\n0.420639 0.636815 0.213260 P\n0.353301 0.362036 0.927589 P\n0.646699 0.637964 0.072411 P\n0.579361 0.363185 0.786740 P\n0.991985 0.168038 0.811626 P\n0.146699 0.362036 0.427589 P\n0.920639 0.363185 0.286740 P\n0.232868 0.959575 0.854244 P\n0.508015 0.168038 0.311626 P\n0.267132 0.959575 0.354244 P\n0.300047 0.891600 0.934269 O\n0.178082 0.843996 0.953320 O\n0.614912 0.945931 0.788332 O\n0.237234 0.915042 0.714241 O\n0.495223 0.032719 0.642418 O\n0.199953 0.891600 0.434269 O\n0.321918 0.843996 0.453320 O\n0.701184 0.669263 0.955357 O\n0.885088 0.945931 0.288332 O\n0.878656 0.813922 0.579774 O\n0.262766 0.915042 0.214241 O\n0.004777 0.032719 0.142418 O\n0.723909 0.847721 0.665478 O\n0.087898 0.811030 0.588054 O\n0.069637 0.658248 0.856965 O\n0.470917 0.760089 0.844916 O\n0.560918 0.765176 0.653833 O\n0.438367 0.771616 0.602128 O\n0.591244 0.555812 0.002590 O\n0.798816 0.669263 0.455357 O\n0.013748 0.555776 0.677740 O\n0.621344 0.813922 0.079774 O\n0.776091 0.847721 0.165478 O\n0.412102 0.811030 0.088054 O\n0.430363 0.658248 0.356965 O\n0.029083 0.760089 0.344916 O\n0.939082 0.765176 0.153833 O\n0.061633 0.771616 0.102128 O\n0.908756 0.555812 0.502590 O\n0.336505 0.490860 0.780965 O\n0.644239 0.476881 0.782034 O\n0.144239 0.523119 0.717966 O\n0.836505 0.509140 0.719035 O\n0.513748 0.444224 0.822260 O\n0.486252 0.555776 0.177740 O\n0.163495 0.490860 0.280965 O\n0.855761 0.476881 0.282034 O\n0.355761 0.523119 0.217966 O\n0.663495 0.509140 0.219035 O\n0.091244 0.444188 0.497410 O\n0.938367 0.228384 0.897872 O\n0.060918 0.234824 0.846167 O\n0.970917 0.239911 0.655084 O\n0.569637 0.341752 0.643035 O\n0.587898 0.188970 0.911946 O\n0.223909 0.152279 0.834522 O\n0.378656 0.186078 0.920226 O\n0.986252 0.444224 0.322260 O\n0.201184 0.330737 0.544643 O\n0.408756 0.444188 0.997410 O\n0.561633 0.228384 0.397872 O\n0.439082 0.234824 0.346167 O\n0.529083 0.239911 0.155084 O\n0.930363 0.341752 0.143035 O\n0.912102 0.188970 0.411946 O\n0.276091 0.152279 0.334522 O\n0.995223 0.967281 0.857582 O\n0.737234 0.084958 0.785759 O\n0.121344 0.186078 0.420226 O\n0.114912 0.054069 0.711668 O\n0.298816 0.330737 0.044643 O\n0.678082 0.156004 0.546680 O\n0.800047 0.108400 0.565731 O\n0.504777 0.967281 0.357582 O\n0.762766 0.084958 0.285759 O\n0.385088 0.054069 0.211668 O\n0.821918 0.156004 0.046680 O\n0.699953 0.108400 0.065731 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.626797182854385,
"density_atomic": 0.07231971036593467,
"volume": 1548.6787686688006,
"volume_molar": 8.327108515131245,
"formula_full": "Li14 Mn14 P16 O68",
"formula_reduced": "Li7Mn7(P4O17)2",
"formula_anonymous": "A7B7C8D34",
"energy": -841.85911913,
"energy_per_atom": -7.516599277946428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -771.79111913,
"band_gap": 1.0261999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.8651459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.933000Z",
"spacegroup": 14
},
{
"id": "mp-1246037",
"created_at": "2022-09-04T14:48:13.717689Z",
"structure_string": "Sr12 Re8 N16\n1.0\n6.073549 0.000000 -0.000000\n0.000000 10.175914 0.000000\n-0.000000 0.000000 9.858759\nSr Re N\n12 8 16\ndirect\n0.623205 0.160627 0.417071 Sr\n0.876795 0.839373 0.417071 Sr\n0.623205 0.339373 0.082929 Sr\n0.876795 0.660627 0.082929 Sr\n0.376795 0.839373 0.582929 Sr\n0.123205 0.160627 0.582929 Sr\n0.376795 0.660627 0.917071 Sr\n0.123205 0.339373 0.917071 Sr\n0.750000 0.500000 0.403775 Sr\n0.750000 0.000000 0.096225 Sr\n0.250000 0.500000 0.596225 Sr\n0.250000 0.000000 0.903775 Sr\n0.750000 0.500000 0.737764 Re\n0.750000 0.000000 0.762236 Re\n0.250000 0.500000 0.262236 Re\n0.250000 0.000000 0.237764 Re\n0.624044 0.250000 0.750000 Re\n0.875956 0.750000 0.750000 Re\n0.375956 0.750000 0.250000 Re\n0.124044 0.250000 0.250000 Re\n0.879568 0.353129 0.638664 N\n0.620432 0.646871 0.638664 N\n0.879568 0.146871 0.861336 N\n0.620432 0.853129 0.861336 N\n0.120432 0.646871 0.361336 N\n0.379568 0.353129 0.361336 N\n0.120432 0.853129 0.138664 N\n0.379568 0.146871 0.138664 N\n0.509639 0.417193 0.841550 N\n0.990361 0.582807 0.841550 N\n0.509639 0.082807 0.658450 N\n0.990361 0.917193 0.658450 N\n0.490361 0.582807 0.158450 N\n0.009639 0.417193 0.158450 N\n0.490361 0.917193 0.341550 N\n0.009639 0.082807 0.341550 N\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Re",
"N"
],
"chemical_system": "N-Re-Sr",
"density": 7.535948647718734,
"density_atomic": 0.059083237252350054,
"volume": 609.3098766108671,
"volume_molar": 10.192638453913537,
"formula_full": "Sr12 Re8 N16",
"formula_reduced": "Sr3(ReN2)2",
"formula_anonymous": "A2B3C4",
"energy": -273.72339329,
"energy_per_atom": -7.603427591388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.94739329,
"band_gap": 0.0256999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.318000Z",
"spacegroup": 52
},
{
"id": "mp-11653",
"created_at": "2022-09-04T14:48:13.731076Z",
"structure_string": "B3 P3 O12\n1.0\n2.273919 -3.938543 0.000000\n2.273919 3.938543 0.000000\n0.000000 0.000000 10.056017\nB P O\n3 3 12\ndirect\n0.470170 0.000000 0.333333 B\n0.000000 0.470170 0.666667 B\n0.529830 0.529830 0.000000 B\n0.469183 0.000000 0.833333 P\n0.530817 0.530817 0.500000 P\n0.000000 0.469183 0.166667 P\n0.736090 0.143943 0.721339 O\n0.274771 0.406020 0.107317 O\n0.593980 0.868751 0.440651 O\n0.407853 0.263910 0.388005 O\n0.143943 0.736090 0.278661 O\n0.856057 0.592147 0.054672 O\n0.263910 0.407853 0.611995 O\n0.592147 0.856057 0.945328 O\n0.868751 0.593980 0.559349 O\n0.406020 0.274771 0.892683 O\n0.725229 0.131249 0.226016 O\n0.131249 0.725229 0.773984 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"B",
"P",
"O"
],
"chemical_system": "B-O-P",
"density": 2.925614069682694,
"density_atomic": 0.09993231051025801,
"volume": 180.12192361100574,
"volume_molar": 6.026219877485801,
"formula_full": "B3 P3 O12",
"formula_reduced": "BPO4",
"formula_anonymous": "ABC4",
"energy": -144.71500879,
"energy_per_atom": -8.039722710555557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.47100879,
"band_gap": 6.998399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.677000Z",
"spacegroup": 152
},
{
"id": "mp-766163",
"created_at": "2022-09-04T14:48:13.733919Z",
"structure_string": "Ti1 Sn9 O20\n1.0\n3.403510 7.285317 0.000000\n-3.403510 7.285317 0.000000\n0.000000 0.339914 7.527714\nTi Sn O\n1 9 20\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Sn\n0.197768 0.197768 0.801307 Sn\n0.399311 0.399311 0.599499 Sn\n0.598624 0.598624 0.901702 Sn\n0.199314 0.199314 0.298237 Sn\n0.800686 0.800686 0.701763 Sn\n0.401376 0.401376 0.098298 Sn\n0.600689 0.600689 0.400501 Sn\n0.802232 0.802232 0.198693 Sn\n0.298818 0.701182 0.000000 O\n0.093666 0.705554 0.597085 O\n0.701182 0.298818 0.000000 O\n0.337977 0.337977 0.855034 O\n0.056582 0.056582 0.754371 O\n0.867664 0.867664 0.943556 O\n0.260126 0.260126 0.545071 O\n0.461648 0.461648 0.344303 O\n0.705554 0.093666 0.597085 O\n0.506021 0.893624 0.801871 O\n0.106376 0.493979 0.198129 O\n0.294446 0.906334 0.402915 O\n0.893624 0.506021 0.801871 O\n0.493979 0.106376 0.198129 O\n0.538352 0.538352 0.655697 O\n0.132336 0.132336 0.056444 O\n0.739874 0.739874 0.454929 O\n0.943418 0.943418 0.245629 O\n0.662023 0.662023 0.144966 O\n0.906334 0.294446 0.402915 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 6.38864912172785,
"density_atomic": 0.08036235661170146,
"volume": 373.30911218738123,
"volume_molar": 7.493733401943471,
"formula_full": "Ti1 Sn9 O20",
"formula_reduced": "TiSn9O20",
"formula_anonymous": "AB9C20",
"energy": -209.93386054,
"energy_per_atom": -6.997795351333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.19386054,
"band_gap": 1.1262999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0038445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.082000Z",
"spacegroup": 12
},
{
"id": "mp-753016",
"created_at": "2022-09-04T14:48:14.638478Z",
"structure_string": "V3 O5 F1\n1.0\n5.162543 -0.023951 0.100789\n2.491935 4.840805 0.165043\n2.622762 -1.196355 4.243546\nV O F\n3 5 1\ndirect\n0.323870 0.056285 0.328855 V\n0.726737 0.445273 0.139658 V\n0.657067 0.977485 0.652986 V\n0.511565 0.241755 0.070731 O\n0.192221 0.217611 0.738654 O\n0.852727 0.202181 0.412903 O\n0.733203 0.763378 0.314695 O\n0.548416 0.766282 0.939163 O\n0.178702 0.741609 0.523981 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.9548741204871263,
"density_atomic": 0.08512086420695887,
"volume": 105.7320092300499,
"volume_molar": 7.074811582455331,
"formula_full": "V3 O5 F1",
"formula_reduced": "V3O5F",
"formula_anonymous": "AB3C5",
"energy": -76.71255961999998,
"energy_per_atom": -8.523617735555554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.71555962,
"band_gap": 0.6541999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.825000Z",
"spacegroup": 1
},
{
"id": "mp-776167",
"created_at": "2022-09-04T14:48:13.719367Z",
"structure_string": "Ce4 Al4 O12\n1.0\n5.352054 0.000000 0.000000\n0.000000 5.353887 0.000000\n0.000000 0.000000 7.640165\nCe Al O\n4 4 12\ndirect\n0.016569 0.994440 0.750000 Ce\n0.516569 0.505560 0.750000 Ce\n0.483431 0.494440 0.250000 Ce\n0.983431 0.005560 0.250000 Ce\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.503973 0.952044 0.250000 O\n0.774523 0.773781 0.524524 O\n0.774523 0.773781 0.975476 O\n0.274523 0.726219 0.975476 O\n0.274523 0.726219 0.524524 O\n0.003973 0.547956 0.250000 O\n0.996027 0.452044 0.750000 O\n0.725477 0.273781 0.024524 O\n0.725477 0.273781 0.475476 O\n0.225477 0.226219 0.024524 O\n0.225477 0.226219 0.475476 O\n0.496027 0.047956 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ce",
"Al",
"O"
],
"chemical_system": "Al-Ce-O",
"density": 6.526021045851421,
"density_atomic": 0.09135610405445085,
"volume": 218.92352138921584,
"volume_molar": 6.591941307403643,
"formula_full": "Ce4 Al4 O12",
"formula_reduced": "CeAlO3",
"formula_anonymous": "ABC3",
"energy": -170.45089834000004,
"energy_per_atom": -8.522544917000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.20689834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.097000Z",
"spacegroup": 62
},
{
"id": "mp-12729",
"created_at": "2022-09-04T14:48:13.725723Z",
"structure_string": "Ba2 Tm1 Ru1 O6\n1.0\n0.000000 4.194047 4.194047\n4.194047 0.000000 4.194047\n4.194047 4.194047 0.000000\nBa Tm Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Ru\n0.762939 0.237061 0.762939 O\n0.237061 0.237061 0.762939 O\n0.762939 0.762939 0.237061 O\n0.762939 0.237061 0.237061 O\n0.237061 0.762939 0.237061 O\n0.237061 0.762939 0.762939 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Tm",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Tm",
"density": 7.2101313800167315,
"density_atomic": 0.0677750934837712,
"volume": 147.5468271009395,
"volume_molar": 8.885477614932405,
"formula_full": "Ba2 Tm1 Ru1 O6",
"formula_reduced": "Ba2TmRuO6",
"formula_anonymous": "ABC2D6",
"energy": -76.04828262,
"energy_per_atom": -7.604828262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.92628262,
"band_gap": 0.0645000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0009044,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:44.024000Z",
"spacegroup": 225
},
{
"id": "mp-755236",
"created_at": "2022-09-04T14:48:13.730879Z",
"structure_string": "Ho4 Ti4 O12\n1.0\n5.328055 0.000000 0.000000\n0.000000 5.692451 0.000000\n0.000000 0.000000 7.674495\nHo Ti O\n4 4 12\ndirect\n0.480827 0.428089 0.750000 Ho\n0.019173 0.928089 0.750000 Ho\n0.980827 0.071911 0.250000 Ho\n0.519173 0.571911 0.250000 Ho\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.378703 0.953744 0.250000 O\n0.313217 0.695333 0.940629 O\n0.313217 0.695333 0.559371 O\n0.186783 0.195333 0.940629 O\n0.186783 0.195333 0.559371 O\n0.121297 0.453744 0.250000 O\n0.878703 0.546256 0.750000 O\n0.813217 0.804667 0.440629 O\n0.813217 0.804667 0.059371 O\n0.686783 0.304667 0.440629 O\n0.686783 0.304667 0.059371 O\n0.621297 0.046256 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Ti",
"O"
],
"chemical_system": "Ho-O-Ti",
"density": 7.442029852766513,
"density_atomic": 0.08592354525294336,
"volume": 232.76506970381192,
"volume_molar": 7.008720068837835,
"formula_full": "Ho4 Ti4 O12",
"formula_reduced": "HoTiO3",
"formula_anonymous": "ABC3",
"energy": -182.06053131,
"energy_per_atom": -9.103026565499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.81653131000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9895641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.300000Z",
"spacegroup": 62
},
{
"id": "mp-769490",
"created_at": "2022-09-04T14:48:13.736042Z",
"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n8.273281 0.000000 0.000000\n-1.848629 8.075651 0.000000\n-0.174034 -0.196926 9.005616\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.381138 0.368133 0.247180 Na\n0.630771 0.129360 0.236860 Na\n0.108640 0.658739 0.256206 Na\n0.377396 0.865995 0.753269 Na\n0.619152 0.619389 0.760186 Na\n0.091886 0.141110 0.748369 Na\n0.983703 0.229943 0.350501 Ni\n0.486701 0.730197 0.347444 Ni\n0.017260 0.764170 0.647254 Ni\n0.522335 0.265662 0.653970 Ni\n0.764863 0.509074 0.429561 P\n0.271612 0.022658 0.425745 P\n0.732242 0.978361 0.572264 P\n0.235467 0.485353 0.572112 P\n0.516264 0.762416 0.079309 C\n0.016190 0.272741 0.082369 C\n0.987146 0.734580 0.917713 C\n0.479464 0.233684 0.920593 C\n0.968905 0.717285 0.053857 O\n0.461363 0.213959 0.057048 O\n0.402065 0.650884 0.139859 O\n0.905028 0.155581 0.136443 O\n0.613281 0.853995 0.177175 O\n0.105598 0.370125 0.183022 O\n0.328009 0.890607 0.329227 O\n0.818542 0.376852 0.330499 O\n0.630244 0.560940 0.331988 O\n0.150875 0.090339 0.324775 O\n0.801950 0.054901 0.427252 O\n0.302582 0.554684 0.421116 O\n0.915182 0.655580 0.461645 O\n0.424826 0.168788 0.461939 O\n0.585158 0.826023 0.537299 O\n0.090172 0.334009 0.538153 O\n0.194695 0.953622 0.572324 O\n0.696979 0.442134 0.579643 O\n0.863367 0.921411 0.670673 O\n0.182596 0.620669 0.666587 O\n0.665695 0.098044 0.675433 O\n0.369007 0.431823 0.669714 O\n0.893497 0.638926 0.820519 O\n0.384272 0.142295 0.819436 O\n0.594706 0.344989 0.863655 O\n0.100383 0.849236 0.860625 O\n0.529769 0.778899 0.942071 O\n0.039179 0.291679 0.947119 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.739486597034146,
"density_atomic": 0.07645204198906047,
"volume": 601.6843867503519,
"volume_molar": 7.877017543706301,
"formula_full": "Na6 Ni4 P4 C4 O28",
"formula_reduced": "Na3Ni2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -319.04763620999995,
"energy_per_atom": -6.93581817847826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.64763621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0003237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.989000Z",
"spacegroup": 1
},
{
"id": "mp-1225785",
"created_at": "2022-09-04T14:48:13.737009Z",
"structure_string": "Dy2 Fe17 C1 N1\n1.0\n6.437006 0.000000 0.000000\n0.808559 6.407963 0.000000\n0.735517 0.634999 6.438393\nDy Fe C N\n2 17 1 1\ndirect\n0.661883 0.651986 0.660119 Dy\n0.338117 0.348014 0.339881 Dy\n0.903407 0.904389 0.904404 Fe\n0.096593 0.095611 0.095596 Fe\n0.346055 0.852733 0.340646 Fe\n0.850769 0.344567 0.340971 Fe\n0.344136 0.342794 0.852555 Fe\n0.653945 0.147267 0.659354 Fe\n0.149231 0.655433 0.659029 Fe\n0.655864 0.657206 0.147445 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.713407 0.003469 0.284638 Fe\n0.999923 0.281994 0.718066 Fe\n0.294051 0.707542 0.997909 Fe\n0.000077 0.718006 0.281934 Fe\n0.705949 0.292458 0.002091 Fe\n0.286593 0.996531 0.715362 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Dy",
"Fe",
"C",
"N"
],
"chemical_system": "C-Dy-Fe-N",
"density": 8.130903157675503,
"density_atomic": 0.07907476370841432,
"volume": 265.5714543446103,
"volume_molar": 7.615755618576937,
"formula_full": "Dy2 Fe17 C1 N1",
"formula_reduced": "Dy2Fe17CN",
"formula_anonymous": "ABC2D17",
"energy": -173.52120664000003,
"energy_per_atom": -8.262914601904763,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.16020664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.1616763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.733000Z",
"spacegroup": 2
},
{
"id": "mp-1196527",
"created_at": "2022-09-04T14:48:13.738612Z",
"structure_string": "Ge4 N12 F28\n1.0\n11.653980 0.000000 0.000000\n0.000000 5.941001 0.000000\n0.000000 1.030484 11.039782\nGe N F\n4 12 28\ndirect\n0.500000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 Ge\n0.264250 0.966705 0.783467 N\n0.764250 0.033295 0.716533 N\n0.735750 0.033295 0.216533 N\n0.235750 0.966705 0.283467 N\n0.271830 0.464942 0.509421 N\n0.771830 0.535058 0.990579 N\n0.728170 0.535058 0.490579 N\n0.228170 0.464942 0.009421 N\n0.495100 0.575778 0.751937 N\n0.995100 0.424222 0.748063 N\n0.504900 0.424222 0.248063 N\n0.004900 0.575778 0.251937 N\n0.262032 0.743557 0.772147 F\n0.762031 0.256443 0.727853 F\n0.737968 0.256443 0.227853 F\n0.237968 0.743557 0.272147 F\n0.352748 0.969194 0.529045 F\n0.852748 0.030806 0.970955 F\n0.647252 0.030806 0.470955 F\n0.147252 0.969194 0.029045 F\n0.881751 0.991616 0.682174 F\n0.381751 0.008384 0.817826 F\n0.118249 0.008384 0.317826 F\n0.618249 0.991616 0.182174 F\n0.097793 0.157947 0.577483 F\n0.597793 0.842053 0.922517 F\n0.902207 0.842053 0.422517 F\n0.402207 0.157947 0.077483 F\n0.444167 0.278524 0.326270 F\n0.944167 0.721476 0.173730 F\n0.555833 0.721476 0.673730 F\n0.055833 0.278524 0.826270 F\n0.930083 0.248620 0.443539 F\n0.430083 0.751380 0.056461 F\n0.069917 0.751380 0.556461 F\n0.569917 0.248620 0.943539 F\n0.505826 0.224504 0.591605 F\n0.005826 0.775496 0.908395 F\n0.494174 0.775496 0.408395 F\n0.994174 0.224504 0.091605 F\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ge",
"N",
"F"
],
"chemical_system": "F-Ge-N",
"density": 2.1520439670308056,
"density_atomic": 0.057564970309806916,
"volume": 764.3537339322495,
"volume_molar": 10.46146767311726,
"formula_full": "Ge4 N12 F28",
"formula_reduced": "GeN3F7",
"formula_anonymous": "AB3C7",
"energy": -195.30857212,
"energy_per_atom": -4.438831184545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.37257212,
"band_gap": 2.1079,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0023011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:05.533000Z",
"spacegroup": 14
},
{
"id": "mp-768094",
"created_at": "2022-09-04T14:48:12.992495Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n6.530567 0.000000 0.000000\n0.000000 10.363181 0.000000\n0.000000 5.281535 9.070580\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.260531 0.080266 0.577360 Na\n0.239469 0.080266 0.077360 Na\n0.486444 0.263506 0.741437 Na\n0.013556 0.263506 0.241437 Na\n0.986444 0.736494 0.758563 Na\n0.513556 0.736494 0.258563 Na\n0.760531 0.919734 0.922640 Na\n0.739469 0.919734 0.422640 Na\n0.753117 0.345494 0.935418 Fe\n0.746883 0.345494 0.435418 Fe\n0.253117 0.654506 0.564582 Fe\n0.246883 0.654506 0.064582 Fe\n0.251839 0.424230 0.933263 P\n0.248161 0.424230 0.433263 P\n0.751839 0.575770 0.566737 P\n0.748161 0.575770 0.066737 P\n0.756716 0.064645 0.602973 C\n0.743284 0.064645 0.102973 C\n0.256716 0.935355 0.897027 C\n0.243284 0.935355 0.397027 C\n0.262088 0.075716 0.813201 O\n0.237912 0.075716 0.313201 O\n0.733666 0.128670 0.958486 O\n0.766334 0.128670 0.458486 O\n0.739780 0.156999 0.653207 O\n0.760220 0.156999 0.153207 O\n0.061474 0.322469 0.961839 O\n0.438654 0.326194 0.946194 O\n0.061346 0.326194 0.446194 O\n0.438526 0.322469 0.461839 O\n0.742195 0.431944 0.719138 O\n0.757805 0.431944 0.219138 O\n0.248425 0.469091 0.554655 O\n0.251575 0.469091 0.054655 O\n0.748425 0.530909 0.945345 O\n0.751575 0.530909 0.445345 O\n0.242195 0.568056 0.780862 O\n0.257805 0.568056 0.280862 O\n0.561474 0.677531 0.538161 O\n0.938654 0.673806 0.553806 O\n0.938526 0.677531 0.038161 O\n0.561346 0.673806 0.053806 O\n0.239780 0.843001 0.846793 O\n0.260220 0.843001 0.346793 O\n0.233666 0.871330 0.541514 O\n0.266334 0.871330 0.041514 O\n0.762088 0.924284 0.686799 O\n0.737912 0.924284 0.186799 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.77864583793202,
"density_atomic": 0.07819197925042469,
"volume": 613.873704952152,
"volume_molar": 7.701737208509519,
"formula_full": "Na8 Fe4 P4 C4 O28",
"formula_reduced": "Na2FePCO7",
"formula_anonymous": "ABCD2E7",
"energy": -349.22133311,
"energy_per_atom": -7.275444439791666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -320.96133311,
"band_gap": 2.1577,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0033189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.698000Z",
"spacegroup": 14
}
]
}