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=-decomposes_to&page=34",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=32",
"results": [
{
"id": "mp-1235519",
"created_at": "2022-09-04T14:42:25.750691Z",
"structure_string": "K2 Li1 Nd4 Nb2 O12\n1.0\n5.789198 0.000000 0.000000\n-2.894599 6.154921 -1.639121\n0.000000 0.139472 8.865832\nK Li Nd Nb O\n2 1 4 2 12\ndirect\n0.098992 0.242767 0.482264 K\n0.856226 0.757233 0.517736 K\n0.439830 0.000000 0.500000 Li\n0.118312 0.254022 0.921072 Nd\n0.572196 0.163548 0.195722 Nd\n0.408647 0.836452 0.804278 Nd\n0.864290 0.745979 0.078928 Nd\n0.663965 0.345199 0.719011 Nb\n0.318767 0.654801 0.280989 Nb\n0.999049 0.539458 0.836411 O\n0.206321 0.901826 0.299931 O\n0.238446 0.000000 0.000000 O\n0.772324 0.102768 0.706265 O\n0.669556 0.897232 0.293735 O\n0.744964 0.000000 0.000000 O\n0.304495 0.098174 0.700069 O\n0.982400 0.461079 0.164774 O\n0.646040 0.323437 0.498633 O\n0.322602 0.676563 0.501367 O\n0.459590 0.460542 0.163589 O\n0.521322 0.538921 0.835226 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"K",
"Li",
"Nd",
"Nb",
"O"
],
"chemical_system": "K-Li-Nb-Nd-O",
"density": 5.443388131491232,
"density_atomic": 0.06619775486976415,
"volume": 317.2313025013445,
"volume_molar": 9.097197891148745,
"formula_full": "K2 Li1 Nd4 Nb2 O12",
"formula_reduced": "K2LiNd4Nb2O12",
"formula_anonymous": "AB2C2D4E12",
"energy": -169.58825701,
"energy_per_atom": -8.075631286190477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.34425701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1060942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.206000Z",
"spacegroup": 5
},
{
"id": "mp-1210030",
"created_at": "2022-09-04T14:42:25.597410Z",
"structure_string": "Nd16 Mg4 Rh4\n1.0\n0.000000 7.073382 7.073382\n7.073382 0.000000 7.073382\n7.073382 7.073382 0.000000\nNd Mg Rh\n16 4 4\ndirect\n0.596894 0.596894 0.596894 Nd\n0.596894 0.596894 0.209318 Nd\n0.596894 0.209318 0.596894 Nd\n0.209318 0.596894 0.596894 Nd\n0.062329 0.437671 0.437671 Nd\n0.437671 0.062329 0.062329 Nd\n0.437671 0.062329 0.437671 Nd\n0.062329 0.437671 0.062329 Nd\n0.437671 0.437671 0.062329 Nd\n0.062329 0.062329 0.437671 Nd\n0.186513 0.813487 0.813487 Nd\n0.813487 0.186513 0.186513 Nd\n0.813487 0.186513 0.813487 Nd\n0.186513 0.813487 0.186513 Nd\n0.813487 0.813487 0.186513 Nd\n0.186513 0.186513 0.813487 Nd\n0.829447 0.829447 0.829447 Mg\n0.829447 0.829447 0.511660 Mg\n0.829447 0.511660 0.829447 Mg\n0.511660 0.829447 0.829447 Mg\n0.392082 0.392082 0.392082 Rh\n0.392082 0.392082 0.823753 Rh\n0.392082 0.823753 0.392082 Rh\n0.823753 0.392082 0.392082 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Rh"
],
"chemical_system": "Mg-Nd-Rh",
"density": 6.608159477267817,
"density_atomic": 0.03390782298839332,
"volume": 707.8012648649021,
"volume_molar": 17.760328529677015,
"formula_full": "Nd16 Mg4 Rh4",
"formula_reduced": "Nd4MgRh",
"formula_anonymous": "ABC4",
"energy": -120.31304811,
"energy_per_atom": -5.01304367125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.31304811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0363147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.585000Z",
"spacegroup": 216
},
{
"id": "mp-778193",
"created_at": "2022-09-04T14:42:25.599354Z",
"structure_string": "Co4 O6 F2\n1.0\n3.020381 -3.151700 0.000000\n3.020381 3.151700 0.000000\n0.000000 0.000000 5.915563\nCo O F\n4 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.524805 0.475195 0.250000 Co\n0.475195 0.524805 0.750000 Co\n0.191452 0.808548 0.750000 O\n0.305636 0.305636 0.000000 O\n0.305636 0.305636 0.500000 O\n0.694364 0.694364 0.000000 O\n0.694364 0.694364 0.500000 O\n0.808548 0.191452 0.250000 O\n0.219638 0.780362 0.250000 F\n0.780362 0.219638 0.750000 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.451253679585327,
"density_atomic": 0.10654880055769488,
"volume": 112.6244494277732,
"volume_molar": 5.652002395596265,
"formula_full": "Co4 O6 F2",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -76.99943161,
"energy_per_atom": -6.416619300833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.40143161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0281258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.733000Z",
"spacegroup": 63
},
{
"id": "mp-1518992",
"created_at": "2022-09-04T14:42:25.997862Z",
"structure_string": "K1 Zr1 Ge1 Bi1 O6\n1.0\n-0.000000 -3.996249 -3.996249\n3.996249 0.000000 -3.996249\n3.996249 -3.996249 -0.000000\nK Zr Ge Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Ge\n0.750000 0.750000 0.750000 Bi\n0.761643 0.238357 0.238357 O\n0.238357 0.761643 0.761643 O\n0.761643 0.238357 0.761643 O\n0.238357 0.761643 0.238357 O\n0.761643 0.761643 0.238357 O\n0.238357 0.238357 0.761643 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Zr",
"Ge",
"Bi",
"O"
],
"chemical_system": "Bi-Ge-K-O-Zr",
"density": 6.608047028111718,
"density_atomic": 0.07834519800846322,
"volume": 127.64024157447088,
"volume_molar": 7.686675014018676,
"formula_full": "K1 Zr1 Ge1 Bi1 O6",
"formula_reduced": "KZrGeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -71.37906797,
"energy_per_atom": -7.137906796999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.25706797,
"band_gap": 1.3028000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.976000Z",
"spacegroup": 216
},
{
"id": "mp-12723",
"created_at": "2022-09-04T14:42:26.007039Z",
"structure_string": "Ca2 Au2\n1.0\n2.010730 -5.540930 0.000000\n2.010730 5.540930 0.000000\n0.000000 0.000000 4.667056\nCa Au\n2 2\ndirect\n0.139378 0.860622 0.750000 Ca\n0.860622 0.139378 0.250000 Ca\n0.419059 0.580941 0.750000 Au\n0.580941 0.419059 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.5700661353314125,
"density_atomic": 0.038463656043711526,
"volume": 103.99427437304065,
"volume_molar": 15.65670396271279,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy": -13.80137568,
"energy_per_atom": -3.45034392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.80137568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.723000Z",
"spacegroup": 63
},
{
"id": "mp-1078684",
"created_at": "2022-09-04T14:42:26.020912Z",
"structure_string": "Er3 Cd3 Ga3\n1.0\n3.616776 -6.264441 0.000000\n3.616776 6.264441 0.000000\n0.000000 0.000000 4.389864\nEr Cd Ga\n3 3 3\ndirect\n0.423369 0.423369 0.500000 Er\n0.576631 0.000000 0.500000 Er\n0.000000 0.576631 0.500000 Er\n0.752025 0.752025 0.000000 Cd\n0.247975 0.000000 0.000000 Cd\n0.000000 0.247975 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Cd",
"Ga"
],
"chemical_system": "Cd-Er-Ga",
"density": 8.749828786639988,
"density_atomic": 0.04524363733439606,
"volume": 198.92299846453398,
"volume_molar": 13.310469968385416,
"formula_full": "Er3 Cd3 Ga3",
"formula_reduced": "ErCdGa",
"formula_anonymous": "ABC",
"energy": -30.01645046,
"energy_per_atom": -3.3351611622222226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01645046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.890000Z",
"spacegroup": 189
},
{
"id": "mp-697813",
"created_at": "2022-09-04T14:42:26.061079Z",
"structure_string": "Li4 Cr8 P12 O48\n1.0\n9.733732 0.000000 0.000000\n0.792060 9.709971 0.000000\n0.872178 0.772189 9.730492\nLi Cr P O\n4 8 12 48\ndirect\n0.987717 0.241005 0.528858 Li\n0.487460 0.736970 0.034264 Li\n0.026398 0.379099 0.260513 Li\n0.620378 0.813656 0.757635 Li\n0.749452 0.223500 0.022449 Cr\n0.527111 0.001626 0.467305 Cr\n0.477038 0.500370 0.524199 Cr\n0.029389 0.725449 0.750294 Cr\n0.249111 0.275208 0.966585 Cr\n0.250888 0.500178 0.748583 Cr\n0.977650 0.779481 0.251230 Cr\n0.750756 0.000608 0.248938 Cr\n0.183136 0.588901 0.049023 P\n0.843215 0.935819 0.548598 P\n0.547783 0.431406 0.840801 P\n0.314985 0.203796 0.649594 P\n0.951416 0.409172 0.816118 P\n0.826126 0.904094 0.954722 P\n0.660142 0.702346 0.319144 P\n0.451857 0.064476 0.152986 P\n0.686591 0.299136 0.336574 P\n0.047718 0.098866 0.174502 P\n0.348653 0.797821 0.678451 P\n0.159019 0.576123 0.452043 P\n0.604937 0.657994 0.193408 O\n0.552206 0.369697 0.401824 O\n0.114596 0.146306 0.032313 O\n0.082298 0.177455 0.291139 O\n0.821595 0.677178 0.322430 O\n0.188273 0.827549 0.693369 O\n0.897249 0.065109 0.587719 O\n0.400820 0.865227 0.538072 O\n0.926521 0.570171 0.821540 O\n0.078361 0.938693 0.192669 O\n0.878173 0.921513 0.386742 O\n0.676784 0.322715 0.176240 O\n0.171094 0.428897 0.079880 O\n0.836251 0.871163 0.116667 O\n0.113991 0.371226 0.828358 O\n0.907440 0.356206 0.689037 O\n0.310274 0.167945 0.807986 O\n0.421928 0.833816 0.798264 O\n0.321410 0.568343 0.425412 O\n0.413381 0.933435 0.098296 O\n0.573990 0.429197 0.679516 O\n0.700449 0.841175 0.915141 O\n0.589612 0.562414 0.890341 O\n0.170500 0.626496 0.887367 O\n0.330755 0.366523 0.617819 O\n0.615066 0.078546 0.119290 O\n0.683115 0.927060 0.582827 O\n0.313409 0.639728 0.089929 O\n0.882619 0.346012 0.954299 O\n0.965431 0.850697 0.886041 O\n0.821533 0.341295 0.377644 O\n0.416997 0.065740 0.310919 O\n0.622332 0.864989 0.331091 O\n0.616637 0.293922 0.899663 O\n0.098976 0.450993 0.408293 O\n0.451901 0.135525 0.589023 O\n0.380884 0.633359 0.666721 O\n0.104887 0.715682 0.384368 O\n0.670299 0.137046 0.377008 O\n0.883033 0.129225 0.163172 O\n0.123181 0.584956 0.614166 O\n0.908798 0.799830 0.619697 O\n0.185989 0.166514 0.590477 O\n0.047428 0.654325 0.121652 O\n0.599624 0.634589 0.458507 O\n0.815440 0.065699 0.924453 O\n0.383274 0.198210 0.086237 O\n0.384770 0.416579 0.877186 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.8589373807779572,
"density_atomic": 0.07828893389618105,
"volume": 919.6702064621188,
"volume_molar": 7.69219921679603,
"formula_full": "Li4 Cr8 P12 O48",
"formula_reduced": "LiCr2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -559.14114499,
"energy_per_atom": -7.765849235972222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -510.17314499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.758000Z",
"spacegroup": 1
},
{
"id": "mp-1212401",
"created_at": "2022-09-04T14:42:26.062839Z",
"structure_string": "K8 V4 Ag4 S8\n1.0\n11.898919 0.000000 0.000000\n5.949459 4.542603 0.000000\n5.949459 0.000000 12.026093\nK V Ag S\n8 4 4 8\ndirect\n0.747793 0.173640 0.552765 K\n0.699442 0.826360 0.552765 K\n0.078567 0.173640 0.447235 K\n0.002207 0.326360 0.947235 K\n0.474198 0.826360 0.447235 K\n0.050558 0.673640 0.947235 K\n0.671433 0.326360 0.052765 K\n0.275802 0.673640 0.052765 K\n0.875000 0.250000 0.250000 V\n0.875000 0.750000 0.250000 V\n0.875000 0.250000 0.750000 V\n0.375000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 Ag\n0.375000 0.750000 0.250000 Ag\n0.375000 0.250000 0.750000 Ag\n0.875000 0.750000 0.750000 Ag\n0.122742 0.214989 0.176580 S\n0.700678 0.785011 0.176580 S\n0.662269 0.214989 0.823420 S\n0.627258 0.285011 0.323420 S\n0.514311 0.785011 0.823420 S\n0.049322 0.714989 0.323420 S\n0.087731 0.285011 0.676580 S\n0.235689 0.714989 0.676580 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"V",
"Ag",
"S"
],
"chemical_system": "Ag-K-S-V",
"density": 3.077055639636239,
"density_atomic": 0.03692107964661517,
"volume": 650.0351622897425,
"volume_molar": 16.310846859409473,
"formula_full": "K8 V4 Ag4 S8",
"formula_reduced": "K2VAgS2",
"formula_anonymous": "ABC2D2",
"energy": -100.20927283,
"energy_per_atom": -4.1753863679166665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.18527283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1318366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.348000Z",
"spacegroup": 70
},
{
"id": "mp-1294077",
"created_at": "2022-09-04T14:42:26.071323Z",
"structure_string": "Sr4 Y4 Co4 O16\n1.0\n-3.808338 3.809791 -0.000085\n-3.809222 -3.810670 0.000103\n-0.000473 -3.810551 12.273138\nSr Y Co O\n4 4 4 16\ndirect\n0.821747 0.178207 0.643890 Sr\n0.322409 0.677604 0.645273 Sr\n0.572450 0.927549 0.145502 Sr\n0.071835 0.428172 0.143950 Sr\n0.930714 0.569327 0.860600 Y\n0.431200 0.068745 0.862170 Y\n0.680787 0.319374 0.360669 Y\n0.181287 0.818692 0.362154 Y\n0.749735 0.750225 0.499489 Co\n0.499778 0.500227 0.999530 Co\n0.251974 0.248080 0.503886 Co\n0.001880 0.998030 0.003848 Co\n0.917116 0.083058 0.833897 O\n0.419591 0.580180 0.839328 O\n0.669748 0.830290 0.339474 O\n0.166676 0.333164 0.333822 O\n0.837838 0.662079 0.676004 O\n0.340719 0.159408 0.681396 O\n0.587893 0.412057 0.176301 O\n0.090613 0.909400 0.181412 O\n0.735494 0.748009 0.987445 O\n0.252077 0.264424 0.987523 O\n0.487308 0.498802 0.489241 O\n0.002040 0.011865 0.489306 O\n0.237571 0.762007 0.989236 O\n0.751810 0.248744 0.989316 O\n0.984767 0.513689 0.487678 O\n0.502944 0.998589 0.487666 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Sr-Y",
"density": 5.583719914999721,
"density_atomic": 0.07860290798661279,
"volume": 356.22091748525133,
"volume_molar": 7.661473238401889,
"formula_full": "Sr4 Y4 Co4 O16",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
"energy": -216.00476963,
"energy_per_atom": -7.714456058214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.46076963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0500898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.693000Z",
"spacegroup": 110
},
{
"id": "mp-1176242",
"created_at": "2022-09-04T14:42:25.623667Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.909811 5.122551 0.000000\n-2.909811 5.122551 0.000000\n0.000000 1.475852 9.633062\nLi Mn Co O\n9 2 5 16\ndirect\n0.377801 0.377801 0.753592 Li\n0.622199 0.622199 0.246408 Li\n0.873402 0.873402 0.754461 Li\n0.870108 0.376933 0.751638 Li\n0.129892 0.623067 0.248362 Li\n0.376933 0.870108 0.751638 Li\n0.623067 0.129892 0.248362 Li\n0.126598 0.126598 0.245539 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.249672 0.750328 0.500000 Co\n0.750328 0.249672 0.500000 Co\n0.750217 0.750217 0.499682 Co\n0.000000 0.000000 0.000000 Co\n0.249783 0.249783 0.500318 Co\n0.202284 0.202284 0.882729 O\n0.439121 0.439121 0.382053 O\n0.694148 0.694148 0.887656 O\n0.693413 0.159915 0.894403 O\n0.937358 0.437353 0.385226 O\n0.159915 0.693413 0.894403 O\n0.437353 0.937358 0.385226 O\n0.938002 0.938002 0.383082 O\n0.560879 0.560879 0.617947 O\n0.797716 0.797716 0.117271 O\n0.061998 0.061998 0.616918 O\n0.062642 0.562647 0.614774 O\n0.306587 0.840085 0.105597 O\n0.562647 0.062642 0.614774 O\n0.840085 0.306587 0.105597 O\n0.305852 0.305852 0.112344 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.180640768560387,
"density_atomic": 0.11143062205093887,
"volume": 287.17420230654074,
"volume_molar": 5.4043858404084535,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.44395612,
"energy_per_atom": -6.54512362875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.92595612,
"band_gap": 1.2492,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0004642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.339000Z",
"spacegroup": 12
},
{
"id": "mp-1521578",
"created_at": "2022-09-04T14:42:25.624961Z",
"structure_string": "K1 Ca1 Dy1 Se1 O6\n1.0\n0.000000 -4.027259 -4.027259\n4.027259 0.000000 -4.027259\n4.027259 -4.027259 0.000000\nK Ca Dy Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Se\n0.726217 0.273783 0.273783 O\n0.273783 0.726217 0.726217 O\n0.726217 0.273783 0.726217 O\n0.273783 0.726217 0.273783 O\n0.726217 0.726217 0.273783 O\n0.273783 0.273783 0.726217 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Dy",
"Se",
"O"
],
"chemical_system": "Ca-Dy-K-O-Se",
"density": 5.295948738523813,
"density_atomic": 0.07654931735352591,
"volume": 130.63473778371184,
"volume_molar": 7.867007790792033,
"formula_full": "K1 Ca1 Dy1 Se1 O6",
"formula_reduced": "KCaDySeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.96973107,
"energy_per_atom": -6.496973107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.84773107,
"band_gap": 2.0625000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.756000Z",
"spacegroup": 216
},
{
"id": "mp-755991",
"created_at": "2022-09-04T14:42:24.515109Z",
"structure_string": "Ag4 Br4 O16\n1.0\n5.927829 0.000000 0.000000\n0.000000 7.394393 0.000000\n0.000000 0.000000 8.460767\nAg Br O\n4 4 16\ndirect\n0.250000 0.668495 0.690282 Ag\n0.250000 0.831505 0.190282 Ag\n0.750000 0.168495 0.809718 Ag\n0.750000 0.331505 0.309718 Ag\n0.250000 0.172748 0.525604 Br\n0.250000 0.327252 0.025604 Br\n0.750000 0.672748 0.974396 Br\n0.750000 0.827252 0.474396 Br\n0.487990 0.297248 0.553916 O\n0.487990 0.202752 0.053916 O\n0.250000 0.104397 0.338334 O\n0.250000 0.395603 0.838334 O\n0.250000 0.500509 0.149894 O\n0.250000 0.999491 0.649894 O\n0.012010 0.297248 0.553916 O\n0.012010 0.202752 0.053916 O\n0.987990 0.797248 0.946084 O\n0.987990 0.702752 0.446084 O\n0.750000 0.000509 0.350106 O\n0.750000 0.499491 0.850106 O\n0.750000 0.604397 0.161666 O\n0.750000 0.895603 0.661666 O\n0.512010 0.797248 0.946084 O\n0.512010 0.702752 0.446084 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 4.509254968757519,
"density_atomic": 0.0647147548768077,
"volume": 370.8582385220632,
"volume_molar": 9.305668809939661,
"formula_full": "Ag4 Br4 O16",
"formula_reduced": "AgBrO4",
"formula_anonymous": "ABC4",
"energy": -100.92358125,
"energy_per_atom": -4.20514921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.93158125,
"band_gap": 1.2702,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0039451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.018000Z",
"spacegroup": 62
}
]
}