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=-formula_anonymous&page=13",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11",
"results": [
{
"id": "mp-775916",
"created_at": "2022-09-04T14:40:12.601961Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n6.581086 0.000000 0.000000\n0.000000 5.096191 0.000000\n0.000000 0.712868 8.483545\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.250000 0.757359 0.092626 Li\n0.750000 0.242641 0.907374 Li\n0.750000 0.801745 0.323234 Sn\n0.250000 0.198255 0.676766 Sn\n0.250000 0.719695 0.419498 P\n0.750000 0.280305 0.580502 P\n0.750000 0.698617 0.034976 C\n0.250000 0.301383 0.965024 C\n0.750000 0.948187 0.076919 O\n0.250000 0.363343 0.103341 O\n0.750000 0.521317 0.158542 O\n0.067191 0.796010 0.309867 O\n0.432809 0.796010 0.309867 O\n0.750000 0.145076 0.425179 O\n0.250000 0.419181 0.466160 O\n0.750000 0.580819 0.533840 O\n0.250000 0.854924 0.574821 O\n0.567191 0.203990 0.690133 O\n0.932809 0.203990 0.690133 O\n0.250000 0.478683 0.841458 O\n0.750000 0.636657 0.896659 O\n0.250000 0.051813 0.923081 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sn",
"density": 3.2756275259034244,
"density_atomic": 0.07732181687459948,
"volume": 284.52513002481044,
"volume_molar": 7.788410830757777,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -160.09860458,
"energy_per_atom": -7.277209299090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.48060458,
"band_gap": 3.2058,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.029000Z",
"spacegroup": 11
},
{
"id": "mp-770900",
"created_at": "2022-09-04T14:40:52.932118Z",
"structure_string": "Na2 Mn2 As2 C2 O14\n1.0\n6.439603 0.000000 0.000000\n0.000000 5.398543 0.000000\n0.000000 0.475171 9.275369\nNa Mn As C O\n2 2 2 2 14\ndirect\n0.519499 0.765139 0.774694 Na\n0.019499 0.234861 0.225306 Na\n0.241896 0.212374 0.662303 Mn\n0.741896 0.787626 0.337697 Mn\n0.747818 0.280479 0.564282 As\n0.247818 0.719521 0.435718 As\n0.253775 0.275757 0.918813 C\n0.753775 0.724243 0.081187 C\n0.751644 0.691211 0.951228 O\n0.251468 0.057237 0.860860 O\n0.256417 0.455951 0.815821 O\n0.946902 0.208130 0.681750 O\n0.544108 0.197853 0.676332 O\n0.256055 0.873004 0.591673 O\n0.732567 0.596010 0.521800 O\n0.232567 0.403990 0.478200 O\n0.756055 0.126996 0.408327 O\n0.044108 0.802147 0.323668 O\n0.446902 0.791870 0.318250 O\n0.756417 0.544049 0.184179 O\n0.751468 0.942763 0.139140 O\n0.251644 0.308789 0.048772 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-Na-O",
"density": 2.851451857513523,
"density_atomic": 0.06822692936718337,
"volume": 322.4533216437237,
"volume_molar": 8.82663314303663,
"formula_full": "Na2 Mn2 As2 C2 O14",
"formula_reduced": "NaMnAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -158.15476883,
"energy_per_atom": -7.188853128636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.20076883,
"band_gap": 1.0809,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9974846,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.369000Z",
"spacegroup": 4
},
{
"id": "mp-768630",
"created_at": "2022-09-04T14:39:08.241789Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.263651 0.000000 0.000000\n-1.772176 8.093380 0.000000\n-0.475658 -0.631735 8.395708\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.237532 0.987607 0.107337 Li\n0.605481 0.155907 0.282567 Li\n0.261149 0.511738 0.892976 Li\n0.768779 0.010186 0.886965 Li\n0.474333 0.718953 0.334306 Fe\n0.979482 0.225507 0.337534 Fe\n0.024853 0.772276 0.660784 Fe\n0.523454 0.276583 0.667036 Fe\n0.754873 0.504313 0.423456 P\n0.263110 0.008435 0.421576 P\n0.737186 0.989018 0.576071 P\n0.238512 0.492285 0.579031 P\n0.528426 0.777089 0.046465 C\n0.019889 0.277844 0.047303 C\n0.977956 0.730664 0.954984 C\n0.480459 0.216997 0.953978 C\n0.408683 0.655103 0.074007 O\n0.902422 0.153621 0.076768 O\n0.948521 0.699132 0.096932 O\n0.607765 0.862358 0.174667 O\n0.456001 0.170486 0.092062 O\n0.101871 0.361924 0.174147 O\n0.625540 0.567238 0.319643 O\n0.798371 0.360057 0.319354 O\n0.321206 0.882908 0.304709 O\n0.135442 0.073682 0.313644 O\n0.908388 0.643993 0.474326 O\n0.801001 0.066021 0.421735 O\n0.308847 0.565294 0.427915 O\n0.419466 0.152086 0.468973 O\n0.587309 0.845387 0.522204 O\n0.682948 0.438042 0.579187 O\n0.190601 0.936419 0.570717 O\n0.090173 0.346365 0.524455 O\n0.869516 0.928224 0.679363 O\n0.180443 0.619162 0.692898 O\n0.680732 0.116369 0.690973 O\n0.365453 0.428725 0.687643 O\n0.889868 0.642313 0.836606 O\n0.570452 0.819492 0.911707 O\n0.387688 0.141845 0.828571 O\n0.061055 0.317335 0.911649 O\n0.594824 0.337922 0.915248 O\n0.096701 0.851849 0.921711 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.5759679814128065,
"density_atomic": 0.07835982398848394,
"volume": 561.5122362508931,
"volume_molar": 7.685240284466485,
"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -329.50642516,
"energy_per_atom": -7.48878239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.24642516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.527000Z",
"spacegroup": 1
},
{
"id": "mp-774241",
"created_at": "2022-09-04T14:46:17.136140Z",
"structure_string": "Na2 V2 As2 C2 O14\n1.0\n9.454189 0.000463 0.067249\n0.000318 6.506360 0.000032\n0.273434 0.000040 5.507097\nNa V As C O\n2 2 2 2 14\ndirect\n0.203258 0.492698 0.224484 Na\n0.796751 0.992692 0.775503 Na\n0.333830 0.767706 0.789435 V\n0.666147 0.267576 0.210556 V\n0.444302 0.261057 0.719555 As\n0.555708 0.760901 0.280412 As\n0.085117 0.741601 0.715427 C\n0.914851 0.241661 0.284577 C\n0.041359 0.248968 0.323181 O\n0.139646 0.743853 0.935073 O\n0.191804 0.734287 0.543884 O\n0.336591 0.049408 0.790516 O\n0.333688 0.458578 0.804904 O\n0.405371 0.745363 0.125411 O\n0.481972 0.254457 0.411161 O\n0.518059 0.754559 0.588884 O\n0.594663 0.245479 0.874559 O\n0.666286 0.958527 0.195026 O\n0.663430 0.549308 0.209515 O\n0.808181 0.234266 0.456136 O\n0.860353 0.243836 0.064946 O\n0.958631 0.748918 0.676856 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"V",
"As",
"C",
"O"
],
"chemical_system": "As-C-Na-O-V",
"density": 2.6760010478265976,
"density_atomic": 0.06496672822785315,
"volume": 338.6348766531843,
"volume_molar": 9.269576788412333,
"formula_full": "Na2 V2 As2 C2 O14",
"formula_reduced": "NaVAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -161.96397416,
"energy_per_atom": -7.361998825454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.94597416,
"band_gap": 2.0022,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9935867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.926000Z",
"spacegroup": 4
},
{
"id": "mp-1224537",
"created_at": "2022-09-04T14:39:17.502665Z",
"structure_string": "Gd2 Ti2 Cd2 Sb2 O14\n1.0\n-3.609979 3.739043 5.150503\n3.609979 -3.739043 5.150503\n3.609979 3.739043 -5.150503\nGd Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.926852 0.176852 0.750000 O\n0.328395 0.578395 0.750000 O\n0.934775 0.581705 0.760937 O\n0.320768 0.173838 0.739063 O\n0.934775 0.173838 0.353070 O\n0.320768 0.581705 0.146930 O\n0.073148 0.823148 0.250000 O\n0.671605 0.421605 0.250000 O\n0.065225 0.418295 0.239063 O\n0.679232 0.826162 0.260937 O\n0.065225 0.826162 0.646930 O\n0.679232 0.418295 0.853070 O\n0.625545 0.875545 0.750000 O\n0.374455 0.124455 0.250000 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Gd",
"Ti",
"Cd",
"Sb",
"O"
],
"chemical_system": "Cd-Gd-O-Sb-Ti",
"density": 6.583844312723059,
"density_atomic": 0.07911301026355219,
"volume": 278.0832119358189,
"volume_molar": 7.612073842138243,
"formula_full": "Gd2 Ti2 Cd2 Sb2 O14",
"formula_reduced": "GdTiCdSbO7",
"formula_anonymous": "ABCDE7",
"energy": -184.6078163,
"energy_per_atom": -8.391264377272726,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.9898163,
"band_gap": 2.5972,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.789000Z",
"spacegroup": 74
},
{
"id": "mp-25408",
"created_at": "2022-09-04T14:45:54.186590Z",
"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n6.218402 0.000000 0.000000\n0.000000 5.159730 0.000000\n0.000000 0.536939 8.678073\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.975435 0.219773 0.204889 Li\n0.475435 0.780227 0.795111 Li\n0.753725 0.786714 0.340549 Mn\n0.253725 0.213286 0.659451 Mn\n0.257789 0.725684 0.430458 P\n0.757789 0.274316 0.569542 P\n0.747620 0.722210 0.067187 C\n0.247620 0.277790 0.932813 C\n0.450442 0.793497 0.323655 O\n0.757651 0.951517 0.127399 O\n0.266481 0.466246 0.821966 O\n0.766481 0.533754 0.178034 O\n0.563214 0.185060 0.671121 O\n0.767377 0.136248 0.416877 O\n0.950442 0.206503 0.676345 O\n0.257651 0.048483 0.872601 O\n0.063214 0.814940 0.328879 O\n0.246565 0.427914 0.470960 O\n0.716900 0.686983 0.930002 O\n0.216900 0.313017 0.069998 O\n0.746565 0.572086 0.529040 O\n0.267377 0.863752 0.583123 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.5865929464480057,
"density_atomic": 0.07901210114762404,
"volume": 278.4383617250705,
"volume_molar": 7.621795487691686,
"formula_full": "Li2 Mn2 P2 C2 O14",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -168.85537612000002,
"energy_per_atom": -7.67524436909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.90137612,
"band_gap": 0.91,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0012078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.807000Z",
"spacegroup": 4
},
{
"id": "mp-770759",
"created_at": "2022-09-04T14:45:14.778561Z",
"structure_string": "Li2 Bi2 C2 S2 O14\n1.0\n6.972124 0.000000 0.000000\n0.000000 5.445032 0.000000\n0.000000 0.136908 9.208601\nLi Bi C S O\n2 2 2 2 14\ndirect\n0.500330 0.268664 0.825198 Li\n0.000330 0.731336 0.174802 Li\n0.753189 0.777048 0.646995 Bi\n0.253189 0.222952 0.353005 Bi\n0.734620 0.720500 0.935344 C\n0.234620 0.279500 0.064656 C\n0.259716 0.724938 0.592958 S\n0.759716 0.275062 0.407042 S\n0.274455 0.307095 0.934413 O\n0.737106 0.939950 0.866578 O\n0.694075 0.534644 0.846684 O\n0.088148 0.795516 0.679266 O\n0.422604 0.878646 0.647604 O\n0.729492 0.215098 0.566450 O\n0.304115 0.461171 0.607437 O\n0.804115 0.538829 0.392563 O\n0.229492 0.784902 0.433550 O\n0.922604 0.121354 0.352396 O\n0.588148 0.204484 0.320734 O\n0.194075 0.465356 0.153316 O\n0.237106 0.060050 0.133422 O\n0.774455 0.692905 0.065587 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Bi",
"C",
"S",
"O"
],
"chemical_system": "Bi-C-Li-O-S",
"density": 3.5339023867307424,
"density_atomic": 0.06293083382392964,
"volume": 349.5901557820204,
"volume_molar": 9.569459665589342,
"formula_full": "Li2 Bi2 C2 S2 O14",
"formula_reduced": "LiBiCSO7",
"formula_anonymous": "ABCDE7",
"energy": -149.54005028999998,
"energy_per_atom": -6.797275013181817,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.92205029,
"band_gap": 3.3523,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.521000Z",
"spacegroup": 4
},
{
"id": "mp-770650",
"created_at": "2022-09-04T14:43:40.566245Z",
"structure_string": "Li2 V2 Si2 C2 O14\n1.0\n6.381732 0.000000 0.000000\n0.000000 5.332744 0.000000\n0.000000 0.897573 8.635387\nLi V Si C O\n2 2 2 2 14\ndirect\n0.468977 0.778921 0.810745 Li\n0.968977 0.221079 0.189255 Li\n0.247885 0.195359 0.660924 V\n0.747885 0.804641 0.339076 V\n0.751187 0.263155 0.564859 Si\n0.251187 0.736845 0.435141 Si\n0.252003 0.277344 0.934222 C\n0.752003 0.722656 0.065778 C\n0.717576 0.684877 0.929995 O\n0.253775 0.050409 0.880879 O\n0.280867 0.453997 0.817082 O\n0.963862 0.199520 0.666929 O\n0.549805 0.174827 0.668136 O\n0.261524 0.882544 0.593378 O\n0.754691 0.567152 0.503302 O\n0.254691 0.432848 0.496698 O\n0.761524 0.117456 0.406622 O\n0.049805 0.825173 0.331864 O\n0.463862 0.800480 0.333071 O\n0.780867 0.546003 0.182918 O\n0.753775 0.949591 0.119121 O\n0.217576 0.315123 0.070005 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"V",
"Si",
"C",
"O"
],
"chemical_system": "C-Li-O-Si-V",
"density": 2.372873277863504,
"density_atomic": 0.07486030245988128,
"volume": 293.8807255259237,
"volume_molar": 8.044504980763808,
"formula_full": "Li2 V2 Si2 C2 O14",
"formula_reduced": "LiVSiCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.03159209,
"energy_per_atom": -7.865072367727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.01359209,
"band_gap": 1.8349,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.556000Z",
"spacegroup": 4
},
{
"id": "mp-769579",
"created_at": "2022-09-04T14:40:16.446552Z",
"structure_string": "K2 Fe2 P2 C2 O14\n1.0\n10.030647 0.000000 -0.107191\n0.000000 6.439156 0.000000\n0.178066 0.000000 5.442974\nK Fe P C O\n2 2 2 2 14\ndirect\n0.241529 0.420396 0.247079 K\n0.758471 0.920396 0.752921 K\n0.362431 0.773230 0.780292 Fe\n0.637569 0.273230 0.219708 Fe\n0.439760 0.266579 0.726984 P\n0.560240 0.766579 0.273016 P\n0.110110 0.743891 0.720381 C\n0.889890 0.243891 0.279619 C\n0.012137 0.219209 0.315903 O\n0.160506 0.752054 0.937066 O\n0.197378 0.760381 0.541387 O\n0.349324 0.076537 0.778112 O\n0.350590 0.459077 0.774923 O\n0.437085 0.761023 0.106996 O\n0.487347 0.265474 0.452851 O\n0.512653 0.765474 0.547149 O\n0.562915 0.261023 0.893004 O\n0.649410 0.959077 0.225077 O\n0.650676 0.576537 0.221888 O\n0.802622 0.260381 0.458613 O\n0.839494 0.252054 0.062934 O\n0.987863 0.719209 0.684097 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-K-O-P",
"density": 2.36015397959797,
"density_atomic": 0.06255711669897457,
"volume": 351.6786124569041,
"volume_molar": 9.62662775680439,
"formula_full": "K2 Fe2 P2 C2 O14",
"formula_reduced": "KFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -163.89042133,
"energy_per_atom": -7.449564605909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.76042133,
"band_gap": 0.0011999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0654316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.945000Z",
"spacegroup": 4
},
{
"id": "mp-770905",
"created_at": "2022-09-04T14:44:10.262013Z",
"structure_string": "Li2 Mn2 As2 C2 O14\n1.0\n6.411671 0.000000 0.000000\n0.000000 5.215307 0.000000\n0.000000 0.649014 8.883623\nLi Mn As C O\n2 2 2 2 14\ndirect\n0.498537 0.780147 0.790345 Li\n0.998537 0.219853 0.209655 Li\n0.249439 0.204869 0.667689 Mn\n0.749439 0.795131 0.332311 Mn\n0.754320 0.279171 0.569578 As\n0.254320 0.720829 0.430422 As\n0.250040 0.275412 0.932712 C\n0.750040 0.724588 0.067288 C\n0.722653 0.688067 0.933831 O\n0.255778 0.047118 0.876594 O\n0.269951 0.460311 0.822977 O\n0.954520 0.200258 0.691031 O\n0.550380 0.171915 0.682175 O\n0.263107 0.856355 0.599584 O\n0.733426 0.607494 0.528253 O\n0.233426 0.392506 0.471747 O\n0.763107 0.143645 0.400416 O\n0.050380 0.828085 0.317825 O\n0.454520 0.799742 0.308969 O\n0.769951 0.539689 0.177023 O\n0.755778 0.952882 0.123406 O\n0.222653 0.311933 0.066169 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Li-Mn-O",
"density": 2.9157974415072427,
"density_atomic": 0.07405961554128389,
"volume": 297.0579828048971,
"volume_molar": 8.131477210603409,
"formula_full": "Li2 Mn2 As2 C2 O14",
"formula_reduced": "LiMnAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -159.56215166,
"energy_per_atom": -7.252825075454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.60815166,
"band_gap": 1.1502,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9995637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.943000Z",
"spacegroup": 4
},
{
"id": "mp-767952",
"created_at": "2022-09-04T14:46:08.533932Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.256446 0.000000 0.000000\n0.000000 5.230759 0.000000\n0.000000 0.632804 18.139870\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.530151 0.757080 0.630643 Na\n0.469849 0.242920 0.369357 Na\n0.969849 0.757080 0.130643 Na\n0.030151 0.242920 0.869357 Na\n0.246871 0.216941 0.578770 Mn\n0.753129 0.783059 0.421230 Mn\n0.253129 0.216941 0.078770 Mn\n0.746871 0.783059 0.921230 Mn\n0.748569 0.281242 0.533271 P\n0.251431 0.718758 0.466729 P\n0.751431 0.281242 0.033271 P\n0.248569 0.718758 0.966729 P\n0.256520 0.270519 0.710984 C\n0.743480 0.729481 0.289016 C\n0.243480 0.270519 0.210984 C\n0.756520 0.729481 0.789016 C\n0.761996 0.699411 0.722232 O\n0.253430 0.047743 0.678797 O\n0.252389 0.459971 0.660142 O\n0.943537 0.215460 0.581824 O\n0.558644 0.216134 0.586457 O\n0.739362 0.571877 0.511958 O\n0.263100 0.872595 0.537274 O\n0.736900 0.127405 0.462726 O\n0.260638 0.428123 0.488042 O\n0.441356 0.783866 0.413543 O\n0.056463 0.784540 0.418176 O\n0.747611 0.540029 0.339858 O\n0.746570 0.952257 0.321203 O\n0.238004 0.300589 0.277768 O\n0.738004 0.699411 0.222232 O\n0.246570 0.047743 0.178797 O\n0.247611 0.459971 0.160142 O\n0.941356 0.216134 0.086457 O\n0.556463 0.215460 0.081824 O\n0.760638 0.571877 0.011958 O\n0.236900 0.872595 0.037274 O\n0.763100 0.127405 0.962726 O\n0.239362 0.428123 0.988042 O\n0.443537 0.784540 0.918176 O\n0.058644 0.783866 0.913543 O\n0.752389 0.540029 0.839858 O\n0.753430 0.952257 0.821203 O\n0.261996 0.300589 0.777768 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6059558600297783,
"density_atomic": 0.07411841008468634,
"volume": 593.644682201445,
"volume_molar": 8.125026903733112,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.68586431,
"energy_per_atom": -7.606496916136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.77786431,
"band_gap": 0.4927,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9993421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.834000Z",
"spacegroup": 14
},
{
"id": "mp-768121",
"created_at": "2022-09-04T14:39:24.611713Z",
"structure_string": "Na2 Sb2 P2 C2 O14\n1.0\n6.662999 0.000000 0.000000\n0.000000 5.547128 0.000000\n0.000000 0.203343 9.220941\nNa Sb P C O\n2 2 2 2 14\ndirect\n0.486487 0.237996 0.783724 Na\n0.986487 0.762004 0.216276 Na\n0.760533 0.791889 0.648200 Sb\n0.260533 0.208111 0.351800 Sb\n0.256436 0.721299 0.573921 P\n0.756436 0.278701 0.426079 P\n0.739715 0.721552 0.922891 C\n0.239715 0.278448 0.077109 C\n0.249277 0.308344 0.945410 O\n0.744578 0.938944 0.853131 O\n0.727506 0.541532 0.827222 O\n0.075559 0.799262 0.669518 O\n0.439211 0.831658 0.654466 O\n0.739099 0.167113 0.582976 O\n0.279448 0.445509 0.562247 O\n0.779448 0.554491 0.437753 O\n0.239099 0.832887 0.417024 O\n0.939211 0.168342 0.345534 O\n0.575559 0.200738 0.330482 O\n0.227506 0.458468 0.172778 O\n0.244578 0.061056 0.146869 O\n0.749277 0.691656 0.054590 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"Sb",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-Sb",
"density": 2.920762025766227,
"density_atomic": 0.06455197023217675,
"volume": 340.810666519886,
"volume_molar": 9.32913548314624,
"formula_full": "Na2 Sb2 P2 C2 O14",
"formula_reduced": "NaSbPCO7",
"formula_anonymous": "ABCDE7",
"energy": -155.70263562,
"energy_per_atom": -7.077392528181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.08463562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0118564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.628000Z",
"spacegroup": 4
}
]
}