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=11482",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=11480",
"results": [
{
"id": "mp-1223207",
"created_at": "2022-09-04T14:39:43.808438Z",
"structure_string": "K1 Zn1 Cu1 Te2\n1.0\n-2.152589 2.152589 7.537627\n2.152589 -2.152589 7.537627\n2.152589 2.152589 -7.537627\nK Zn Cu Te\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Cu\n0.641059 0.641059 0.000000 Te\n0.358941 0.358941 0.000000 Te\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Zn",
"Cu",
"Te"
],
"chemical_system": "Cu-K-Te-Zn",
"density": 5.030748231220945,
"density_atomic": 0.03578929448040117,
"volume": 139.7065818868848,
"volume_molar": 16.826654024425732,
"formula_full": "K1 Zn1 Cu1 Te2",
"formula_reduced": "KZnCuTe2",
"formula_anonymous": "ABCD2",
"energy": -16.17452982,
"energy_per_atom": -3.234905964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.33052982,
"band_gap": 0.8106,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.528000Z",
"spacegroup": 119
},
{
"id": "mp-1120754",
"created_at": "2022-09-04T14:39:40.916662Z",
"structure_string": "Li8 H4 Cl4 O4\n1.0\n0.000000 5.557751 0.000000\n0.000000 0.000000 5.844023\n9.530792 0.000000 0.000000\nLi H Cl O\n8 4 4 4\ndirect\n0.000051 0.569916 0.876939 Li\n0.499949 0.930084 0.376939 Li\n0.500051 0.430084 0.123061 Li\n0.999949 0.069916 0.623061 Li\n0.999949 0.430084 0.123061 Li\n0.500051 0.069916 0.623061 Li\n0.499949 0.569916 0.876939 Li\n0.000051 0.930084 0.376939 Li\n0.250000 0.744393 0.554378 H\n0.250000 0.755607 0.054378 H\n0.750000 0.255607 0.445622 H\n0.750000 0.244393 0.945622 H\n0.250000 0.401853 0.692021 Cl\n0.250000 0.098147 0.192021 Cl\n0.750000 0.598147 0.307979 Cl\n0.750000 0.901853 0.807979 Cl\n0.250000 0.902744 0.520848 O\n0.250000 0.597256 0.020848 O\n0.750000 0.097256 0.479152 O\n0.750000 0.402744 0.979152 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Li-O",
"density": 1.423507897487896,
"density_atomic": 0.06460855115003675,
"volume": 309.5565469895021,
"volume_molar": 9.32096549575168,
"formula_full": "Li8 H4 Cl4 O4",
"formula_reduced": "Li2HClO",
"formula_anonymous": "ABCD2",
"energy": -94.68172055,
"energy_per_atom": -4.7340860275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.47772055,
"band_gap": 4.969200000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.785000Z",
"spacegroup": 62
},
{
"id": "mp-1215939",
"created_at": "2022-09-04T14:39:35.163470Z",
"structure_string": "Y1 Cu1 Si2 Ni1\n1.0\n-1.990642 1.990642 4.904624\n1.990642 -1.990642 4.904624\n1.990642 1.990642 -4.904624\nY Cu Si Ni\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Cu\n0.622078 0.622078 0.000000 Si\n0.377922 0.377922 0.000000 Si\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Si",
"Ni"
],
"chemical_system": "Cu-Ni-Si-Y",
"density": 5.709820052417954,
"density_atomic": 0.06431584327891467,
"volume": 77.74134249187715,
"volume_molar": 9.363386147149066,
"formula_full": "Y1 Cu1 Si2 Ni1",
"formula_reduced": "YCuSi2Ni",
"formula_anonymous": "ABCD2",
"energy": -30.65068631,
"energy_per_atom": -6.130137262,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.79268631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.815000Z",
"spacegroup": 119
},
{
"id": "mp-19375",
"created_at": "2022-09-04T14:39:40.341376Z",
"structure_string": "Ce2 Cr2 Se4 O2\n1.0\n3.926210 0.000166 -0.000119\n-1.962861 5.770598 -0.037529\n-0.000254 -0.016469 8.394547\nO Cr Se Ce\n2 2 4 2\ndirect\n0.672454 0.345022 0.937006 O\n0.327577 0.655029 0.063018 O\n0.999960 0.999957 0.499982 Cr\n0.500004 -0.000025 1.000010 Cr\n0.354683 0.709191 0.464241 Se\n0.052434 0.104537 0.203351 Se\n0.947599 0.895450 0.796642 Se\n0.645271 0.290778 0.535736 Se\n0.228080 0.456262 0.808179 Ce\n0.771943 0.543798 0.191834 Ce\n",
"nsites": 10,
"nelements": 4,
"elements": [
"O",
"Cr",
"Se",
"Ce"
],
"chemical_system": "Ce-Cr-O-Se",
"density": 6.391536133788469,
"density_atomic": 0.052578439674730075,
"volume": 190.1920266532013,
"volume_molar": 11.4536315593525,
"formula_full": "Ce2 Cr2 Se4 O2",
"formula_reduced": "CeCrSe2O",
"formula_anonymous": "ABCD2",
"energy": -75.76106108,
"energy_per_atom": -7.576106108,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.50106108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.0000006,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.227000Z",
"spacegroup": 12
},
{
"id": "mp-1078511",
"created_at": "2022-09-04T14:39:42.910794Z",
"structure_string": "Cu2 As2 Pt2 S4\n1.0\n1.907603 -7.931773 0.000000\n1.907603 7.931773 0.000000\n0.000000 0.000000 5.903730\nCu As Pt S\n2 2 2 4\ndirect\n0.948855 0.051145 0.233323 Cu\n0.051145 0.948855 0.733323 Cu\n0.733260 0.266740 0.633840 As\n0.266740 0.733260 0.133840 As\n0.675931 0.324069 0.243377 Pt\n0.324069 0.675931 0.743377 Pt\n0.916783 0.083217 0.858678 S\n0.083217 0.916783 0.358678 S\n0.616420 0.383580 0.864782 S\n0.383580 0.616420 0.364782 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cu",
"As",
"Pt",
"S"
],
"chemical_system": "As-Cu-Pt-S",
"density": 7.392644704440692,
"density_atomic": 0.05597385825016225,
"volume": 178.65482767522127,
"volume_molar": 10.758845197137262,
"formula_full": "Cu2 As2 Pt2 S4",
"formula_reduced": "CuAsPtS2",
"formula_anonymous": "ABCD2",
"energy": -51.96881147,
"energy_per_atom": -5.196881147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.95681147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.822000Z",
"spacegroup": 36
},
{
"id": "mp-1105135",
"created_at": "2022-09-04T14:39:35.008799Z",
"structure_string": "Rb4 Cd4 Ge4 As8\n1.0\n8.269272 0.036134 2.125293\n1.842320 8.017788 2.831424\n0.026798 0.042712 8.925072\nRb Cd Ge As\n4 4 4 8\ndirect\n0.453840 0.765629 0.320994 Rb\n0.546160 0.234371 0.679006 Rb\n0.440038 0.800405 0.813294 Rb\n0.559962 0.199595 0.186706 Rb\n0.994852 0.897186 0.687825 Cd\n0.005148 0.102814 0.312175 Cd\n0.968547 0.819289 0.169485 Cd\n0.031453 0.180711 0.830515 Cd\n0.959199 0.586713 0.597336 Ge\n0.040801 0.413287 0.402664 Ge\n0.152309 0.448762 0.975204 Ge\n0.847691 0.551238 0.024796 Ge\n0.808219 0.871854 0.462467 As\n0.191781 0.128146 0.537533 As\n0.782487 0.406919 0.316632 As\n0.217513 0.593081 0.683368 As\n0.768431 0.864019 0.962566 As\n0.231569 0.135981 0.037434 As\n0.766579 0.448302 0.829822 As\n0.233421 0.551698 0.170178 As\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"Cd",
"Ge",
"As"
],
"chemical_system": "As-Cd-Ge-Rb",
"density": 4.733491144037488,
"density_atomic": 0.03390619271658495,
"volume": 589.8627477044084,
"volume_molar": 17.761182478781574,
"formula_full": "Rb4 Cd4 Ge4 As8",
"formula_reduced": "RbCdGeAs2",
"formula_anonymous": "ABCD2",
"energy": -69.46012532,
"energy_per_atom": -3.473006266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.46012532,
"band_gap": 0.7365000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.568000Z",
"spacegroup": 2
},
{
"id": "mp-554012",
"created_at": "2022-09-04T14:39:36.031130Z",
"structure_string": "S8 Cl8 O16 F8\n1.0\n7.979478 0.000000 0.000000\n0.000000 9.346270 0.000000\n0.000000 0.000000 11.193833\nS Cl O F\n8 8 16 8\ndirect\n0.005789 0.191796 0.553798 S\n0.515914 0.099864 0.195593 S\n0.484086 0.099864 0.695593 S\n0.515914 0.599864 0.304407 S\n0.994211 0.691796 0.446202 S\n0.994211 0.191796 0.053798 S\n0.005789 0.691796 0.946202 S\n0.484086 0.599864 0.804407 S\n0.512894 0.442619 0.924021 Cl\n0.512894 0.942619 0.575979 Cl\n0.004942 0.346222 0.177476 Cl\n0.995058 0.846222 0.822524 Cl\n0.995058 0.346222 0.677476 Cl\n0.487106 0.442619 0.424021 Cl\n0.004942 0.846222 0.322524 Cl\n0.487106 0.942619 0.075979 Cl\n0.537839 0.731860 0.855582 O\n0.939758 0.062420 0.602217 O\n0.939758 0.562420 0.897783 O\n0.838074 0.698599 0.507717 O\n0.462161 0.231860 0.144418 O\n0.161926 0.198599 0.492283 O\n0.060242 0.062420 0.102217 O\n0.537839 0.231860 0.644418 O\n0.672207 0.083533 0.255602 O\n0.327793 0.583533 0.744398 O\n0.462161 0.731860 0.355582 O\n0.672207 0.583533 0.244398 O\n0.838074 0.198599 0.992283 O\n0.060242 0.562420 0.397783 O\n0.161926 0.698599 0.007717 O\n0.327793 0.083533 0.755602 O\n0.867695 0.252711 0.465025 F\n0.625578 0.053125 0.787399 F\n0.374422 0.053125 0.287399 F\n0.867695 0.752711 0.034975 F\n0.132305 0.752711 0.534975 F\n0.374422 0.553125 0.212601 F\n0.132305 0.252711 0.965025 F\n0.625578 0.553125 0.712601 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"S",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-O-S",
"density": 1.8859124251772865,
"density_atomic": 0.04791465475618998,
"volume": 834.8176607665632,
"volume_molar": 12.568473655175433,
"formula_full": "S8 Cl8 O16 F8",
"formula_reduced": "SClO2F",
"formula_anonymous": "ABCD2",
"energy": -207.23624052,
"energy_per_atom": -5.1809060129999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.63624052,
"band_gap": 4.5788,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018274,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.412000Z",
"spacegroup": 29
},
{
"id": "mp-552234",
"created_at": "2022-09-04T14:39:42.365628Z",
"structure_string": "Sr2 Bi2 Br2 O4\n1.0\n2.929903 -6.588139 0.000000\n2.929903 6.588139 0.000000\n0.000000 0.000000 5.735570\nSr Bi Br O\n2 2 2 4\ndirect\n0.899042 0.100958 0.750000 Sr\n0.100958 0.899042 0.250000 Sr\n0.422378 0.577622 0.250000 Bi\n0.577622 0.422378 0.750000 Bi\n0.245362 0.754638 0.750000 Br\n0.754638 0.245362 0.250000 Br\n0.733873 0.733873 0.500000 O\n0.266127 0.266127 0.000000 O\n0.266127 0.266127 0.500000 O\n0.733873 0.733873 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Bi",
"Br",
"O"
],
"chemical_system": "Bi-Br-O-Sr",
"density": 6.127057836314244,
"density_atomic": 0.045162442727127446,
"volume": 221.42292126270135,
"volume_molar": 13.334399993343846,
"formula_full": "Sr2 Bi2 Br2 O4",
"formula_reduced": "SrBiBrO2",
"formula_anonymous": "ABCD2",
"energy": -57.60152739,
"energy_per_atom": -5.7601527390000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.78552739,
"band_gap": 3.1643,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.529000Z",
"spacegroup": 63
},
{
"id": "mp-863294",
"created_at": "2022-09-04T14:39:39.850119Z",
"structure_string": "Rb4 V4 Ga4 P8 O40\n1.0\n8.172346 0.000000 0.000000\n0.000000 7.964495 0.000000\n0.000000 3.748833 13.707942\nRb V Ga P O\n4 4 4 8 40\ndirect\n0.036861 0.680154 0.206750 Rb\n0.536861 0.319846 0.293250 Rb\n0.963139 0.319846 0.793250 Rb\n0.463139 0.680154 0.706750 Rb\n0.050251 0.198415 0.132329 V\n0.550251 0.801585 0.367671 V\n0.949749 0.801585 0.867671 V\n0.449749 0.198415 0.632329 V\n0.961445 0.279871 0.473966 Ga\n0.461445 0.720129 0.026034 Ga\n0.038555 0.720129 0.526034 Ga\n0.538555 0.279871 0.973966 Ga\n0.900196 0.995886 0.350668 P\n0.400196 0.004114 0.149332 P\n0.099804 0.004114 0.649332 P\n0.599804 0.995886 0.850668 P\n0.220697 0.504179 0.959196 P\n0.720697 0.495821 0.540804 P\n0.779303 0.495821 0.040804 P\n0.279303 0.504179 0.459196 P\n0.932567 0.038018 0.240225 O\n0.432567 0.961982 0.259775 O\n0.067433 0.961982 0.759775 O\n0.567433 0.038018 0.740225 O\n0.116823 0.340116 0.005313 O\n0.616823 0.659884 0.494687 O\n0.883177 0.659884 0.994687 O\n0.383177 0.340116 0.505313 O\n0.905109 0.068858 0.069532 O\n0.405109 0.931142 0.430468 O\n0.094891 0.931142 0.930468 O\n0.594891 0.068858 0.569532 O\n0.214752 0.017519 0.127716 O\n0.714752 0.982481 0.372284 O\n0.785248 0.982481 0.872284 O\n0.285248 0.017519 0.627716 O\n0.871124 0.381421 0.128887 O\n0.371124 0.618579 0.371113 O\n0.128876 0.618579 0.871113 O\n0.628876 0.381421 0.628887 O\n0.974062 0.138453 0.392732 O\n0.474062 0.861547 0.107268 O\n0.025938 0.861547 0.607268 O\n0.525938 0.138453 0.892732 O\n0.988098 0.819727 0.397036 O\n0.488098 0.180273 0.102964 O\n0.011902 0.180273 0.602964 O\n0.511902 0.819727 0.897036 O\n0.383901 0.449754 0.918604 O\n0.883901 0.550246 0.581396 O\n0.616099 0.550246 0.081396 O\n0.116099 0.449754 0.418604 O\n0.166024 0.285214 0.203182 O\n0.666024 0.714786 0.296818 O\n0.833976 0.714786 0.796818 O\n0.333976 0.285214 0.703182 O\n0.263633 0.601913 0.038199 O\n0.763633 0.398087 0.461801 O\n0.736367 0.398087 0.961801 O\n0.236367 0.601913 0.538199 O\n",
"nsites": 60,
"nelements": 5,
"elements": [
"Rb",
"V",
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P-Rb-V",
"density": 3.1867684834467616,
"density_atomic": 0.06724716850526297,
"volume": 892.2308750487274,
"volume_molar": 8.95523319993568,
"formula_full": "Rb4 V4 Ga4 P8 O40",
"formula_reduced": "RbVGa(PO5)2",
"formula_anonymous": "ABCD2E10",
"energy": -435.5930826,
"energy_per_atom": -7.25988471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -401.3130826,
"band_gap": 0.5916999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0022777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.857000Z",
"spacegroup": 14
},
{
"id": "mp-1235970",
"created_at": "2022-09-04T14:45:35.089889Z",
"structure_string": "Li1 Ti1 V2 Cr1 O10\n1.0\n6.652456 0.000000 -0.178787\n0.000000 6.520392 0.000000\n-0.105356 0.000000 5.350621\nLi Ti V Cr O\n1 1 2 1 10\ndirect\n0.942361 0.250000 0.085871 Li\n0.748301 0.250000 0.525868 Ti\n0.239390 0.250000 0.602715 V\n0.756259 0.750000 0.393853 V\n0.256077 0.750000 0.501338 Cr\n0.051536 0.750000 0.309047 O\n0.195012 0.250000 0.295803 O\n0.252806 0.547377 0.687115 O\n0.252806 0.952623 0.687115 O\n0.464180 0.750000 0.331491 O\n0.522610 0.250000 0.687333 O\n0.768349 0.025064 0.305740 O\n0.768349 0.474936 0.305740 O\n0.771547 0.750000 0.695936 O\n0.970417 0.250000 0.737814 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Ti",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti-V",
"density": 2.6391857000352794,
"density_atomic": 0.06466380206179836,
"volume": 231.96903865418696,
"volume_molar": 9.313001351582633,
"formula_full": "Li1 Ti1 V2 Cr1 O10",
"formula_reduced": "LiTiV2CrO10",
"formula_anonymous": "ABCD2E10",
"energy": -122.05809157000002,
"energy_per_atom": -8.137206104666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.78909157,
"band_gap": 0.5293,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.192000Z",
"spacegroup": 6
},
{
"id": "mp-1211192",
"created_at": "2022-09-04T14:46:36.475311Z",
"structure_string": "Na2 Ca2 P4 N2 O20\n1.0\n8.177552 5.072073 0.000000\n-8.177552 5.072073 0.000000\n0.000000 1.439807 5.690057\nNa Ca P N O\n2 2 4 2 20\ndirect\n0.669817 0.546119 0.658739 Na\n0.546119 0.669817 0.158739 Na\n0.896978 0.343939 0.874392 Ca\n0.343939 0.896978 0.374392 Ca\n0.313635 0.566345 0.751410 P\n0.566345 0.313635 0.251410 P\n0.135459 0.723328 0.947320 P\n0.723328 0.135459 0.447320 P\n0.029098 0.161047 0.375039 N\n0.161047 0.029098 0.875039 N\n0.653042 0.347462 0.996283 O\n0.347462 0.653042 0.496283 O\n0.570393 0.980463 0.536442 O\n0.980463 0.570393 0.036442 O\n0.042243 0.026312 0.920337 O\n0.026312 0.042243 0.420337 O\n0.281109 0.682809 0.918083 O\n0.682809 0.281109 0.418083 O\n0.162361 0.407559 0.809072 O\n0.407559 0.162361 0.309072 O\n0.142071 0.816305 0.703718 O\n0.816305 0.142071 0.203718 O\n0.940702 0.595945 0.646128 O\n0.595945 0.940702 0.146128 O\n0.840089 0.172801 0.614620 O\n0.172801 0.840089 0.114620 O\n0.454162 0.559963 0.832055 O\n0.559963 0.454162 0.332055 O\n0.813365 0.802680 0.853361 O\n0.802680 0.813365 0.353361 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"Ca",
"P",
"N",
"O"
],
"chemical_system": "Ca-N-Na-O-P",
"density": 2.10386606388185,
"density_atomic": 0.063557357462472,
"volume": 472.0145896203089,
"volume_molar": 9.475127664890449,
"formula_full": "Na2 Ca2 P4 N2 O20",
"formula_reduced": "NaCaP2NO10",
"formula_anonymous": "ABCD2E10",
"energy": -197.9165077,
"energy_per_atom": -6.597216923333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.1765077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9993704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.466000Z",
"spacegroup": 9
},
{
"id": "mp-1180247",
"created_at": "2022-09-04T14:48:07.362817Z",
"structure_string": "Na2 Cd2 P4 N2 O20\n1.0\n8.571589 4.843350 0.000000\n-8.571589 4.843350 0.000000\n0.000000 1.606357 5.785543\nNa Cd P N O\n2 2 4 2 20\ndirect\n0.467751 0.604410 0.730780 Na\n0.604410 0.467751 0.230780 Na\n0.238507 0.791774 0.501060 Cd\n0.791774 0.238507 0.001060 Cd\n0.414337 0.981587 0.928923 P\n0.981587 0.414337 0.428923 P\n0.815455 0.565519 0.635735 P\n0.565519 0.815455 0.135735 P\n0.061468 0.988152 0.026033 N\n0.988152 0.061468 0.526033 N\n0.840901 0.455706 0.470868 O\n0.455706 0.840901 0.970868 O\n0.976665 0.325726 0.667010 O\n0.325726 0.976665 0.167010 O\n0.304508 0.936799 0.761812 O\n0.936799 0.304508 0.261812 O\n0.147338 0.574627 0.329152 O\n0.574627 0.147338 0.829152 O\n0.783793 0.483053 0.890244 O\n0.483053 0.783793 0.390244 O\n0.975129 0.732982 0.578839 O\n0.732982 0.975129 0.078839 O\n0.568488 0.673164 0.072078 O\n0.673164 0.568488 0.572078 O\n0.131832 0.127116 0.509599 O\n0.127116 0.131832 0.009599 O\n0.255673 0.293147 0.434095 O\n0.293147 0.255673 0.934095 O\n0.190724 0.552069 0.716270 O\n0.552069 0.190724 0.216270 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Na",
"Cd",
"P",
"N",
"O"
],
"chemical_system": "Cd-N-Na-O-P",
"density": 2.567320151594504,
"density_atomic": 0.062451078152938544,
"volume": 480.37601411030874,
"volume_molar": 9.642973249000086,
"formula_full": "Na2 Cd2 P4 N2 O20",
"formula_reduced": "NaCdP2NO10",
"formula_anonymous": "ABCD2E10",
"energy": -173.98309699,
"energy_per_atom": -5.799436566333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.76309699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.1366444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.697000Z",
"spacegroup": 9
}
]
}