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=is_theoretical&page=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=12121",
"results": [
{
"id": "mp-770408",
"created_at": "2022-09-04T14:48:13.010548Z",
"structure_string": "Rb12 Ti4 O14\n1.0\n9.755847 0.000000 0.000000\n0.000000 6.915476 0.000000\n0.000000 6.495083 9.871554\nRb Ti O\n12 4 14\ndirect\n0.784434 0.604910 0.278031 Rb\n0.648582 0.965916 0.918770 Rb\n0.526245 0.205617 0.546402 Rb\n0.026245 0.794383 0.953598 Rb\n0.284434 0.395090 0.221969 Rb\n0.148582 0.034084 0.581230 Rb\n0.851418 0.965916 0.418770 Rb\n0.715566 0.604910 0.778031 Rb\n0.973755 0.205617 0.046402 Rb\n0.473755 0.794383 0.453598 Rb\n0.351418 0.034084 0.081230 Rb\n0.215566 0.395090 0.721969 Rb\n0.861835 0.320742 0.628929 Ti\n0.361835 0.679258 0.871071 Ti\n0.638165 0.320742 0.128929 Ti\n0.138165 0.679258 0.371071 Ti\n0.000000 0.500000 0.500000 O\n0.089644 0.747665 0.204037 O\n0.291128 0.498449 0.428460 O\n0.334030 0.944115 0.867616 O\n0.834030 0.055885 0.632384 O\n0.791128 0.501551 0.071540 O\n0.589644 0.252335 0.295963 O\n0.500000 0.500000 0.000000 O\n0.410356 0.747665 0.704037 O\n0.208872 0.498449 0.928460 O\n0.165970 0.944115 0.367616 O\n0.665970 0.055885 0.132384 O\n0.708872 0.501551 0.571540 O\n0.910356 0.252335 0.795963 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Ti",
"O"
],
"chemical_system": "O-Rb-Ti",
"density": 3.593044155211269,
"density_atomic": 0.04504521560817685,
"volume": 665.9974781995325,
"volume_molar": 13.369101865075386,
"formula_full": "Rb12 Ti4 O14",
"formula_reduced": "Rb6Ti2O7",
"formula_anonymous": "A2B6C7",
"energy": -187.89553231,
"energy_per_atom": -6.263184410333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.27753231,
"band_gap": 3.7558,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.909000Z",
"spacegroup": 14
},
{
"id": "mp-1025390",
"created_at": "2022-09-04T14:48:13.013527Z",
"structure_string": "La2 Si4 Ag2\n1.0\n2.181041 -8.829628 0.000000\n2.181041 8.829628 0.000000\n0.000000 0.000000 4.283784\nLa Si Ag\n2 4 2\ndirect\n0.598091 0.401909 0.250000 La\n0.401909 0.598091 0.750000 La\n0.967345 0.032655 0.250000 Si\n0.032655 0.967345 0.750000 Si\n0.834484 0.165516 0.250000 Si\n0.165516 0.834484 0.750000 Si\n0.251944 0.748056 0.250000 Ag\n0.748056 0.251944 0.750000 Ag\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Si",
"Ag"
],
"chemical_system": "Ag-La-Si",
"density": 6.09787633410253,
"density_atomic": 0.04848709783701249,
"volume": 164.9923455285299,
"volume_molar": 12.420089113692047,
"formula_full": "La2 Si4 Ag2",
"formula_reduced": "LaSi2Ag",
"formula_anonymous": "ABC2",
"energy": -41.65079293,
"energy_per_atom": -5.20634911625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.65079293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.230000Z",
"spacegroup": 63
},
{
"id": "mp-778246",
"created_at": "2022-09-04T14:48:13.015184Z",
"structure_string": "Li4 Mn4 P6 O24\n1.0\n4.343832 7.421385 0.000000\n-4.343832 7.421385 0.000000\n0.000000 5.188258 7.108392\nLi Mn P O\n4 4 6 24\ndirect\n0.325755 0.174254 0.552904 Li\n0.825746 0.674245 0.947096 Li\n0.174254 0.325755 0.052904 Li\n0.674245 0.825746 0.447096 Li\n0.861436 0.359614 0.855475 Mn\n0.640386 0.138564 0.644525 Mn\n0.359614 0.861436 0.355475 Mn\n0.138564 0.640386 0.144525 Mn\n0.532752 0.467248 0.250000 P\n0.467248 0.532752 0.750000 P\n0.248118 0.039539 0.963912 P\n0.960461 0.751882 0.536088 P\n0.039539 0.248118 0.463912 P\n0.751882 0.960461 0.036088 P\n0.488268 0.361272 0.718813 O\n0.867983 0.204590 0.504183 O\n0.720737 0.455824 0.078676 O\n0.707396 0.967921 0.883145 O\n0.361272 0.488268 0.218813 O\n0.544176 0.279263 0.421324 O\n0.082024 0.229685 0.942905 O\n0.414510 0.057198 0.769980 O\n0.770315 0.917976 0.557095 O\n0.032079 0.292604 0.616855 O\n0.057198 0.414510 0.269980 O\n0.795410 0.132017 0.995817 O\n0.204590 0.867983 0.004183 O\n0.942802 0.585490 0.730020 O\n0.967921 0.707396 0.383145 O\n0.229685 0.082024 0.442905 O\n0.585490 0.942802 0.230020 O\n0.917976 0.770315 0.057095 O\n0.455824 0.720737 0.578676 O\n0.638728 0.511732 0.781187 O\n0.292604 0.032079 0.116855 O\n0.279263 0.544176 0.921324 O\n0.132017 0.795410 0.495817 O\n0.511732 0.638728 0.281187 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.961384615150517,
"density_atomic": 0.08291330923856659,
"volume": 458.3100149900246,
"volume_molar": 7.263177426283259,
"formula_full": "Li4 Mn4 P6 O24",
"formula_reduced": "Li2Mn2(PO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -288.82985865,
"energy_per_atom": -7.600785753947369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -265.66985865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9996481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.281000Z",
"spacegroup": 15
},
{
"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
},
{
"id": "mp-1027961",
"created_at": "2022-09-04T14:48:13.033374Z",
"structure_string": "La1 Mg14 Fe1\n1.0\n6.525832 0.277872 0.000000\n-3.022272 5.234727 0.000000\n0.000000 0.000000 10.373648\nLa Mg Fe\n1 14 1\ndirect\n0.133609 0.816804 0.125000 La\n0.157042 0.328521 0.625000 Mg\n0.167788 0.833894 0.625000 Mg\n0.626376 0.322814 0.125000 Mg\n0.659683 0.326065 0.625000 Mg\n0.626376 0.803561 0.125000 Mg\n0.659683 0.833617 0.625000 Mg\n0.342977 0.177818 0.375711 Mg\n0.342977 0.177818 0.874289 Mg\n0.342977 0.665160 0.375711 Mg\n0.342977 0.665160 0.874289 Mg\n0.871156 0.185578 0.343357 Mg\n0.871156 0.185578 0.906643 Mg\n0.835019 0.667510 0.391432 Mg\n0.835019 0.667510 0.858568 Mg\n0.185184 0.342591 0.125000 Fe\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Fe"
],
"chemical_system": "Fe-La-Mg",
"density": 2.4468682842118232,
"density_atomic": 0.0440667557524908,
"volume": 363.0854989613259,
"volume_molar": 13.665949891624617,
"formula_full": "La1 Mg14 Fe1",
"formula_reduced": "LaMg14Fe",
"formula_anonymous": "ABC14",
"energy": -34.1045139,
"energy_per_atom": -2.13153211875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.1045139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0007086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.162000Z",
"spacegroup": 38
},
{
"id": "mp-753661",
"created_at": "2022-09-04T14:48:13.048797Z",
"structure_string": "Sb4 O4 F4\n1.0\n6.365215 0.000000 0.000000\n0.000000 5.595414 0.000000\n0.000000 0.583192 5.690713\nSb O F\n4 4 4\ndirect\n0.522405 0.315455 0.728443 Sb\n0.977595 0.815455 0.728443 Sb\n0.022405 0.184545 0.271557 Sb\n0.477595 0.684545 0.271557 Sb\n0.841533 0.122401 0.571203 O\n0.658467 0.622401 0.571203 O\n0.341533 0.377599 0.428797 O\n0.158467 0.877599 0.428797 O\n0.182006 0.046461 0.890441 F\n0.317994 0.546461 0.890441 F\n0.682006 0.453539 0.109559 F\n0.817994 0.953539 0.109559 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.137197604836239,
"density_atomic": 0.05920648248587442,
"volume": 202.68050889297433,
"volume_molar": 10.171421282182692,
"formula_full": "Sb4 O4 F4",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy": -69.6841563,
"energy_per_atom": -5.807013025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.0881563,
"band_gap": 2.8677,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.504000Z",
"spacegroup": 14
},
{
"id": "mp-1246061",
"created_at": "2022-09-04T14:48:13.061599Z",
"structure_string": "Sr8 Co2 N8\n1.0\n6.439560 0.194040 -0.288320\n2.587119 6.060793 -0.285422\n1.428597 2.354501 8.172154\nSr Co N\n8 2 8\ndirect\n0.835880 0.591408 0.141388 Sr\n0.164120 0.408592 0.858612 Sr\n0.703979 0.215788 0.958902 Sr\n0.296021 0.784212 0.041098 Sr\n0.732369 0.511631 0.564917 Sr\n0.267631 0.488369 0.435083 Sr\n0.235410 0.936691 0.626136 Sr\n0.764590 0.063309 0.373864 Sr\n0.759295 0.863299 0.748701 Co\n0.240705 0.136701 0.251299 Co\n0.969742 0.724242 0.599829 N\n0.030258 0.275758 0.400171 N\n0.968959 0.842796 0.883148 N\n0.031041 0.157204 0.116852 N\n0.656131 0.640695 0.843625 N\n0.343869 0.359305 0.156375 N\n0.455631 0.842678 0.327911 N\n0.544369 0.157322 0.672089 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Co",
"N"
],
"chemical_system": "Co-N-Sr",
"density": 4.8329880017475935,
"density_atomic": 0.05627887788881542,
"volume": 319.8358011963353,
"volume_molar": 10.700534527176153,
"formula_full": "Sr8 Co2 N8",
"formula_reduced": "Sr4CoN4",
"formula_anonymous": "AB4C4",
"energy": -103.95128354,
"energy_per_atom": -5.775071307777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.06328354,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.661000Z",
"spacegroup": 2
},
{
"id": "mp-1517088",
"created_at": "2022-09-04T14:48:13.072241Z",
"structure_string": "K1 La1 Zr1 Cr1 O6\n1.0\n0.000000 -4.026193 -4.026193\n4.026193 0.000000 -4.026193\n4.026193 -4.026193 0.000000\nK La Zr Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Cr\n0.758923 0.241077 0.241077 O\n0.241077 0.758923 0.758923 O\n0.758923 0.241077 0.758923 O\n0.241077 0.758923 0.241077 O\n0.758923 0.758923 0.241077 O\n0.241077 0.241077 0.758923 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"La",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-K-La-O-Zr",
"density": 5.307631138067867,
"density_atomic": 0.07661013647934585,
"volume": 130.53102969860925,
"volume_molar": 7.860762343927652,
"formula_full": "K1 La1 Zr1 Cr1 O6",
"formula_reduced": "KLaZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -83.25600342,
"energy_per_atom": -8.325600342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.13500342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.296000Z",
"spacegroup": 216
},
{
"id": "mp-754652",
"created_at": "2022-09-04T14:48:13.086199Z",
"structure_string": "V4 O7 F5\n1.0\n5.151858 0.000000 0.000000\n0.156445 5.371240 0.000000\n0.012295 0.261293 7.549815\nV O F\n4 7 5\ndirect\n0.519793 0.549022 0.502928 V\n0.499833 0.446260 0.002187 V\n0.030526 0.037224 0.491269 V\n0.979835 0.946900 0.996481 V\n0.786803 0.705828 0.538744 O\n0.783226 0.291059 0.963147 O\n0.711653 0.791082 0.960324 O\n0.293839 0.780650 0.465060 O\n0.290522 0.221745 0.039058 O\n0.211636 0.724180 0.037039 O\n0.210553 0.285807 0.461672 O\n0.906447 0.005177 0.246297 F\n0.697501 0.210988 0.541207 F\n0.586714 0.498223 0.252343 F\n0.410790 0.502453 0.750249 F\n0.080328 0.003403 0.751993 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2647952671991787,
"density_atomic": 0.07658526696078104,
"volume": 208.91746722242968,
"volume_molar": 7.8633149677259855,
"formula_full": "V4 O7 F5",
"formula_reduced": "V4O7F5",
"formula_anonymous": "A4B5C7",
"energy": -120.87623801,
"energy_per_atom": -7.554764875625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.95723801,
"band_gap": 1.4035000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0019529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.891000Z",
"spacegroup": 1
},
{
"id": "mp-1215329",
"created_at": "2022-09-04T14:48:13.090274Z",
"structure_string": "Zr1 Al2 Zn1\n1.0\n4.107183 0.000000 0.000000\n0.000000 4.107183 0.000000\n0.000000 0.000000 4.042402\nZr Al Zn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Zn"
],
"chemical_system": "Al-Zn-Zr",
"density": 5.128280446899471,
"density_atomic": 0.05865869322784689,
"volume": 68.19108609294913,
"volume_molar": 10.266407975725453,
"formula_full": "Zr1 Al2 Zn1",
"formula_reduced": "ZrAl2Zn",
"formula_anonymous": "ABC2",
"energy": -19.2080486,
"energy_per_atom": -4.80201215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2080486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.509000Z",
"spacegroup": 123
},
{
"id": "mp-780896",
"created_at": "2022-09-04T14:48:13.016915Z",
"structure_string": "Mn3 Cr3 P6 O24\n1.0\n7.215472 -4.302323 0.000000\n7.215472 4.302323 0.000000\n4.650153 0.000000 6.996363\nMn Cr P O\n3 3 6 24\ndirect\n0.644736 0.644736 0.644736 Mn\n0.855191 0.855191 0.855191 Mn\n0.354841 0.354841 0.354841 Mn\n0.999555 0.999555 0.999555 Cr\n0.142301 0.142301 0.142301 Cr\n0.499812 0.499812 0.499812 Cr\n0.953109 0.249375 0.546676 P\n0.546676 0.953109 0.249375 P\n0.249375 0.546676 0.953109 P\n0.749736 0.451811 0.048853 P\n0.451811 0.048853 0.749736 P\n0.048853 0.749736 0.451811 P\n0.512415 0.105974 0.319802 O\n0.319802 0.512415 0.105974 O\n0.105974 0.319802 0.512415 O\n0.936931 0.095128 0.750486 O\n0.996411 0.177323 0.391408 O\n0.749419 0.404916 0.560284 O\n0.750486 0.936931 0.095128 O\n0.560284 0.749419 0.404916 O\n0.822022 0.605221 0.010310 O\n0.404916 0.560284 0.749419 O\n0.906537 0.247450 0.065217 O\n0.605221 0.010310 0.822022 O\n0.391408 0.996411 0.177323 O\n0.095128 0.750486 0.936931 O\n0.596881 0.435353 0.252527 O\n0.177323 0.391408 0.996411 O\n0.435353 0.252527 0.596881 O\n0.247450 0.065217 0.906537 O\n0.252527 0.596881 0.435353 O\n0.010310 0.822022 0.605221 O\n0.065217 0.906537 0.247450 O\n0.896320 0.677280 0.488383 O\n0.677280 0.488383 0.896320 O\n0.488383 0.896320 0.677280 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mn-O-P",
"density": 3.4046825533137817,
"density_atomic": 0.0828766929076877,
"volume": 434.3802670806211,
"volume_molar": 7.266386421460819,
"formula_full": "Mn3 Cr3 P6 O24",
"formula_reduced": "MnCr(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -295.37843344,
"energy_per_atom": -8.204956484444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.88943344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.9998753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.634000Z",
"spacegroup": 146
},
{
"id": "mp-1184851",
"created_at": "2022-09-04T14:48:13.020258Z",
"structure_string": "K3 Ga1\n1.0\n0.000000 4.533517 4.533517\n4.533517 0.000000 4.533517\n4.533517 4.533517 0.000000\nK Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 1.6664662863188793,
"density_atomic": 0.02146467167362028,
"volume": 186.35272231608056,
"volume_molar": 28.056058119915757,
"formula_full": "K3 Ga1",
"formula_reduced": "K3Ga",
"formula_anonymous": "AB3",
"energy": -5.67828677,
"energy_per_atom": -1.4195716925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.67828677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0378951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.301000Z",
"spacegroup": 225
}
]
}