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=12121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12119",
"results": [
{
"id": "mp-1045412",
"created_at": "2022-09-04T14:41:33.888245Z",
"structure_string": "Ti4 Zn2 O8\n1.0\n-2.986454 3.074359 4.193553\n2.986454 -3.074359 4.193553\n2.986454 3.074359 -4.193553\nTi Zn O\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.753786 0.282730 0.028945 O\n0.238879 0.742950 0.495930 O\n0.753786 0.724841 0.471055 O\n0.252980 0.257050 0.995930 O\n0.246214 0.275159 0.528945 O\n0.761121 0.257050 0.504070 O\n0.747020 0.742950 0.004070 O\n0.246214 0.717270 0.971055 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"O"
],
"chemical_system": "O-Ti-Zn",
"density": 4.854900966563749,
"density_atomic": 0.09090243121243977,
"volume": 154.01128235263454,
"volume_molar": 6.624840149683351,
"formula_full": "Ti4 Zn2 O8",
"formula_reduced": "Ti2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -111.46345917,
"energy_per_atom": -7.961675655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.96745917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0260338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.747000Z",
"spacegroup": 74
},
{
"id": "mp-629458",
"created_at": "2022-09-04T14:41:33.896073Z",
"structure_string": "B1 C2 N1\n1.0\n2.537445 0.000000 0.000000\n0.000000 2.565139 0.000000\n0.000000 0.000000 3.644749\nB C N\n1 2 1\ndirect\n0.000000 0.500000 0.251703 B\n0.000000 0.000000 0.509744 C\n0.500000 0.000000 0.743423 C\n0.500000 0.500000 0.995130 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.4185472189424697,
"density_atomic": 0.1686105809017161,
"volume": 23.72330359463988,
"volume_molar": 3.5716268384783834,
"formula_full": "B1 C2 N1",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy": -34.24444161,
"energy_per_atom": -8.5611104025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.88344161,
"band_gap": 1.661900000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.846000Z",
"spacegroup": 25
},
{
"id": "mp-1021366",
"created_at": "2022-09-04T14:41:33.897942Z",
"structure_string": "K2 Rb2 Mg12\n1.0\n5.458488 0.000000 0.000000\n0.000000 7.467339 0.000000\n0.000000 0.000000 12.374496\nK Rb Mg\n2 2 12\ndirect\n0.000000 0.500000 0.332614 K\n0.000000 0.000000 0.832614 K\n0.500000 0.500000 0.171052 Rb\n0.500000 0.000000 0.671052 Rb\n0.000000 0.785246 0.075432 Mg\n0.000000 0.214754 0.075432 Mg\n0.000000 0.500000 0.833334 Mg\n0.500000 0.719135 0.923560 Mg\n0.500000 0.280865 0.923560 Mg\n0.500000 0.500000 0.665017 Mg\n0.000000 0.285246 0.575432 Mg\n0.000000 0.714754 0.575432 Mg\n0.000000 0.000000 0.333334 Mg\n0.500000 0.219135 0.423560 Mg\n0.500000 0.780865 0.423560 Mg\n0.500000 0.000000 0.165017 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Rb",
"Mg"
],
"chemical_system": "K-Mg-Rb",
"density": 1.7803843547892673,
"density_atomic": 0.03172153798120002,
"volume": 504.38916327078806,
"volume_molar": 18.984390868970674,
"formula_full": "K2 Rb2 Mg12",
"formula_reduced": "KRbMg6",
"formula_anonymous": "ABC6",
"energy": -18.88146225,
"energy_per_atom": -1.180091390625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.88146225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.418000Z",
"spacegroup": 38
},
{
"id": "mp-1192731",
"created_at": "2022-09-04T14:41:33.906894Z",
"structure_string": "Eu8 B4 I4 N8\n1.0\n0.000000 -4.134020 0.000000\n-10.306180 0.000000 0.301060\n0.108697 0.000000 -13.126769\nEu B I N\n8 4 4 8\ndirect\n0.750000 0.921859 0.095766 Eu\n0.250000 0.078141 0.904234 Eu\n0.750000 0.347487 0.630959 Eu\n0.250000 0.652513 0.369041 Eu\n0.750000 0.804137 0.616520 Eu\n0.250000 0.195863 0.383480 Eu\n0.750000 0.397731 0.173632 Eu\n0.250000 0.602269 0.826368 Eu\n0.750000 0.839258 0.851589 B\n0.250000 0.160742 0.148411 B\n0.750000 0.419055 0.395540 B\n0.250000 0.580945 0.604460 B\n0.750000 0.921793 0.358201 I\n0.250000 0.078207 0.641799 I\n0.750000 0.346702 0.904159 I\n0.250000 0.653298 0.095841 I\n0.750000 0.524793 0.337919 N\n0.250000 0.475207 0.662081 N\n0.750000 0.307408 0.445713 N\n0.250000 0.692592 0.554287 N\n0.750000 0.949534 0.909583 N\n0.250000 0.050466 0.090417 N\n0.750000 0.729065 0.792491 N\n0.250000 0.270935 0.207509 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Eu",
"B",
"I",
"N"
],
"chemical_system": "B-Eu-I-N",
"density": 5.5791327142913,
"density_atomic": 0.04292281197010142,
"volume": 559.1432363918186,
"volume_molar": 14.030163643972857,
"formula_full": "Eu8 B4 I4 N8",
"formula_reduced": "Eu2BIN2",
"formula_anonymous": "ABC2D2",
"energy": -217.01546994,
"energy_per_atom": -9.0423112475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.61146994,
"band_gap": 0.1894999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0060273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.609000Z",
"spacegroup": 11
},
{
"id": "mp-1213140",
"created_at": "2022-09-04T14:41:33.838410Z",
"structure_string": "Er4 B28 Mo12\n1.0\n0.000000 -3.104261 0.000000\n-11.021901 0.000000 0.000000\n0.000000 0.000000 -12.859922\nEr B Mo\n4 28 12\ndirect\n0.750000 0.551805 0.308008 Er\n0.250000 0.448195 0.691992 Er\n0.250000 0.948195 0.808008 Er\n0.750000 0.051805 0.191992 Er\n0.750000 0.749882 0.173716 B\n0.250000 0.250118 0.826284 B\n0.250000 0.750118 0.673716 B\n0.750000 0.249882 0.326284 B\n0.750000 0.932383 0.383840 B\n0.250000 0.067617 0.616160 B\n0.250000 0.567617 0.883840 B\n0.750000 0.432383 0.116160 B\n0.750000 0.989307 0.638152 B\n0.250000 0.010693 0.361848 B\n0.250000 0.510693 0.138152 B\n0.750000 0.489307 0.861848 B\n0.750000 0.769239 0.417930 B\n0.250000 0.230761 0.582070 B\n0.250000 0.730761 0.917930 B\n0.750000 0.269239 0.082070 B\n0.750000 0.962732 0.981615 B\n0.250000 0.037268 0.018385 B\n0.250000 0.537268 0.481615 B\n0.750000 0.462732 0.518385 B\n0.750000 0.813740 0.933029 B\n0.250000 0.186260 0.066971 B\n0.250000 0.686260 0.433029 B\n0.750000 0.313740 0.566971 B\n0.750000 0.834376 0.667667 B\n0.250000 0.165624 0.332333 B\n0.250000 0.665624 0.167667 B\n0.750000 0.334376 0.832333 B\n0.750000 0.117926 0.473086 Mo\n0.250000 0.882074 0.526914 Mo\n0.250000 0.382074 0.973086 Mo\n0.750000 0.617926 0.026914 Mo\n0.750000 0.659135 0.564198 Mo\n0.250000 0.340865 0.435802 Mo\n0.250000 0.840865 0.064198 Mo\n0.750000 0.159135 0.935802 Mo\n0.750000 0.684621 0.798138 Mo\n0.250000 0.315379 0.201862 Mo\n0.250000 0.815379 0.298138 Mo\n0.750000 0.184621 0.701862 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Er",
"B",
"Mo"
],
"chemical_system": "B-Er-Mo",
"density": 8.012184329929523,
"density_atomic": 0.09999990962181084,
"volume": 440.0003976643917,
"volume_molar": 6.022146202706686,
"formula_full": "Er4 B28 Mo12",
"formula_reduced": "ErB7Mo3",
"formula_anonymous": "AB3C7",
"energy": -360.33129181,
"energy_per_atom": -8.189347541136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.33129181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.129000Z",
"spacegroup": 62
},
{
"id": "mp-1205149",
"created_at": "2022-09-04T14:41:33.862583Z",
"structure_string": "Fe6 P8 H24 N4 O32\n1.0\n0.000000 -8.346819 0.000000\n-9.359142 0.000000 1.599441\n0.006769 0.000000 -9.482487\nFe P H N O\n6 8 24 4 32\ndirect\n0.360918 0.130886 0.995340 Fe\n0.860918 0.869114 0.504660 Fe\n0.639082 0.869114 0.004660 Fe\n0.139082 0.130886 0.495340 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.799162 0.094044 0.290024 P\n0.299162 0.905956 0.209976 P\n0.200838 0.905956 0.709976 P\n0.700838 0.094044 0.790024 P\n0.052374 0.297115 0.234920 P\n0.552374 0.702885 0.265080 P\n0.947626 0.702885 0.765080 P\n0.447626 0.297115 0.734920 P\n0.528892 0.213536 0.238386 H\n0.028892 0.786464 0.261614 H\n0.471108 0.786464 0.761614 H\n0.971108 0.213536 0.738386 H\n0.482045 0.367065 0.201558 H\n0.982045 0.632935 0.298442 H\n0.517955 0.632935 0.798442 H\n0.017955 0.367065 0.701558 H\n0.711279 0.541575 0.053247 H\n0.211279 0.458425 0.446753 H\n0.288721 0.458425 0.946753 H\n0.788721 0.541575 0.553247 H\n0.709680 0.358177 0.008435 H\n0.209680 0.641823 0.491565 H\n0.290320 0.641823 0.991565 H\n0.790320 0.358177 0.508435 H\n0.823290 0.458316 0.914302 H\n0.323290 0.541684 0.585698 H\n0.176710 0.541684 0.085698 H\n0.676710 0.458316 0.414302 H\n0.874564 0.443910 0.084250 H\n0.374564 0.556090 0.415750 H\n0.125436 0.556090 0.915750 H\n0.625436 0.443910 0.584250 H\n0.777850 0.448503 0.013667 N\n0.277850 0.551497 0.486333 N\n0.222150 0.551497 0.986333 N\n0.722150 0.448503 0.513667 N\n0.144367 0.298438 0.375264 O\n0.644367 0.701562 0.124736 O\n0.855633 0.701562 0.624736 O\n0.355633 0.298438 0.875264 O\n0.867311 0.249150 0.264849 O\n0.367311 0.750850 0.235151 O\n0.132689 0.750850 0.735151 O\n0.632689 0.249150 0.764849 O\n0.633625 0.125853 0.356627 O\n0.133625 0.874147 0.143373 O\n0.366375 0.874147 0.643373 O\n0.866375 0.125853 0.856627 O\n0.796442 0.001647 0.139591 O\n0.296442 0.998353 0.360409 O\n0.203558 0.998353 0.860409 O\n0.703558 0.001647 0.639591 O\n0.116701 0.187309 0.109587 O\n0.616701 0.812691 0.390413 O\n0.883299 0.812691 0.890413 O\n0.383299 0.187309 0.609587 O\n0.918959 0.038864 0.390581 O\n0.418959 0.961136 0.109419 O\n0.081041 0.961136 0.609419 O\n0.581041 0.038864 0.890581 O\n0.031698 0.447829 0.200637 O\n0.531698 0.552171 0.299363 O\n0.968302 0.552171 0.799363 O\n0.468302 0.447829 0.700637 O\n0.488227 0.264357 0.161150 O\n0.988227 0.735643 0.338850 O\n0.511773 0.735643 0.838850 O\n0.011773 0.264357 0.661150 O\n",
"nsites": 74,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"N",
"O"
],
"chemical_system": "Fe-H-N-O-P",
"density": 2.634402872213824,
"density_atomic": 0.09990918476787262,
"volume": 740.6726435805716,
"volume_molar": 6.027614752329071,
"formula_full": "Fe6 P8 H24 N4 O32",
"formula_reduced": "Fe3P4H12(NO8)2",
"formula_anonymous": "A2B3C4D12E16",
"energy": -497.89696308,
"energy_per_atom": -6.7283373389189185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -460.9329630799999,
"band_gap": 3.8429,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0024455,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.889000Z",
"spacegroup": 14
},
{
"id": "mp-640357",
"created_at": "2022-09-04T14:41:33.863815Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.332614 0.000000 0.000000\n1.597982 8.419853 0.000000\n1.744652 2.684736 8.011682\nAl Si O\n8 4 20\ndirect\n0.220047 0.827962 0.687380 Al\n0.737992 0.997403 0.052872 Al\n0.320660 0.185459 0.195682 Al\n0.679340 0.814541 0.804318 Al\n0.115380 0.822695 0.331245 Al\n0.262008 0.002597 0.947128 Al\n0.884620 0.177305 0.668755 Al\n0.779953 0.172038 0.312620 Al\n0.580553 0.608612 0.572485 Si\n0.020925 0.552568 0.664824 Si\n0.979075 0.447432 0.335176 Si\n0.419447 0.391388 0.427515 Si\n0.003649 0.649615 0.799437 O\n0.400435 0.149911 0.998307 O\n0.653553 0.231282 0.514229 O\n0.599565 0.850089 0.001693 O\n0.944562 0.124517 0.877822 O\n0.511309 0.672747 0.746100 O\n0.488691 0.327253 0.253900 O\n0.876676 0.708749 0.505249 O\n0.996351 0.350385 0.200563 O\n0.673799 0.535553 0.381653 O\n0.123324 0.291251 0.494751 O\n0.912322 0.957786 0.676199 O\n0.326201 0.464447 0.618347 O\n0.346447 0.768718 0.485771 O\n0.055438 0.875483 0.122178 O\n0.800349 0.432526 0.681052 O\n0.087678 0.042214 0.323801 O\n0.199651 0.567474 0.318948 O\n0.628417 0.042299 0.247328 O\n0.371583 0.957701 0.752672 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 2.992112442320763,
"density_atomic": 0.08895730504950784,
"volume": 359.72312765310147,
"volume_molar": 6.7696978417325795,
"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
"energy": -250.46776561,
"energy_per_atom": -7.8271176753125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.72776561,
"band_gap": 4.0672,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.532000Z",
"spacegroup": 2
},
{
"id": "mp-1228165",
"created_at": "2022-09-04T14:41:33.889360Z",
"structure_string": "Al5 Se8\n1.0\n0.000000 5.265895 5.265895\n5.265895 0.000000 5.265895\n5.265895 5.265895 0.000000\nAl Se\n5 8\ndirect\n0.884972 0.884972 0.345085 Al\n0.884972 0.345085 0.884972 Al\n0.345085 0.884972 0.884972 Al\n0.884972 0.884972 0.884972 Al\n0.500000 0.500000 0.500000 Al\n0.123141 0.123141 0.630578 Se\n0.123141 0.630578 0.123141 Se\n0.630578 0.123141 0.123141 Se\n0.123141 0.123141 0.123141 Se\n0.634151 0.634151 0.097546 Se\n0.634151 0.097546 0.634151 Se\n0.097546 0.634151 0.634151 Se\n0.634151 0.634151 0.634151 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Al",
"Se"
],
"chemical_system": "Al-Se",
"density": 4.358774072943756,
"density_atomic": 0.044514015335998934,
"volume": 292.0428521640637,
"volume_molar": 13.528639720645094,
"formula_full": "Al5 Se8",
"formula_reduced": "Al5Se8",
"formula_anonymous": "A5B8",
"energy": -60.17621232,
"energy_per_atom": -4.628939409230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.40021232,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2957126,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.224000Z",
"spacegroup": 216
},
{
"id": "mp-1211044",
"created_at": "2022-09-04T14:41:33.917766Z",
"structure_string": "Mg2 P4 H24 O24\n1.0\n7.817277 -0.019495 0.706865\n2.031110 6.903554 3.061785\n-0.018885 -0.023828 9.310426\nMg P H O\n2 4 24 24\ndirect\n0.136638 0.234647 0.791342 Mg\n0.863362 0.765353 0.208658 Mg\n0.086060 0.093140 0.182725 P\n0.913940 0.906860 0.817275 P\n0.230705 0.426765 0.411508 P\n0.769295 0.573235 0.588492 P\n0.354809 0.501269 0.093714 H\n0.645191 0.498731 0.906286 H\n0.664444 0.170215 0.080382 H\n0.335556 0.829785 0.919618 H\n0.311175 0.992770 0.341374 H\n0.688825 0.007230 0.658626 H\n0.606723 0.583373 0.270647 H\n0.393277 0.416627 0.729353 H\n0.172161 0.632754 0.004334 H\n0.827839 0.367246 0.995666 H\n0.005072 0.321019 0.286746 H\n0.994928 0.678981 0.713254 H\n0.170849 0.731702 0.362697 H\n0.829151 0.268298 0.637303 H\n0.299284 0.039335 0.558507 H\n0.700716 0.960665 0.441493 H\n0.538439 0.032265 0.132439 H\n0.461561 0.967735 0.867561 H\n0.502327 0.255799 0.373838 H\n0.497673 0.744201 0.626162 H\n0.688769 0.558538 0.116357 H\n0.311231 0.441462 0.883643 H\n0.779739 0.134359 0.411236 H\n0.220261 0.865641 0.588764 H\n0.050609 0.219824 0.011795 O\n0.949391 0.780176 0.988205 O\n0.398499 0.367695 0.312328 O\n0.601501 0.632305 0.687672 O\n0.662863 0.033399 0.118359 O\n0.337137 0.966601 0.881641 O\n0.290486 0.053148 0.224499 O\n0.709514 0.946852 0.775501 O\n0.064994 0.489691 0.307392 O\n0.935006 0.510309 0.692608 O\n0.698599 0.417307 0.011527 O\n0.301401 0.582693 0.988473 O\n0.241836 0.259385 0.567922 O\n0.758164 0.740615 0.432078 O\n0.676386 0.637323 0.181428 O\n0.323614 0.362677 0.818572 O\n0.040804 0.901193 0.238072 O\n0.959196 0.098807 0.761928 O\n0.972472 0.202718 0.288452 O\n0.027528 0.797282 0.711548 O\n0.251449 0.606045 0.440093 O\n0.748551 0.393955 0.559907 O\n0.678053 0.084099 0.460242 O\n0.321947 0.915901 0.539758 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 1.9152579957506624,
"density_atomic": 0.10725910649583832,
"volume": 503.45375571532674,
"volume_molar": 5.61457293160806,
"formula_full": "Mg2 P4 H24 O24",
"formula_reduced": "MgP2(HO)12",
"formula_anonymous": "AB2C12D12",
"energy": -322.62910169,
"energy_per_atom": -5.974612994259259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.14110169,
"band_gap": 5.3457,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.781000Z",
"spacegroup": 2
},
{
"id": "mp-862667",
"created_at": "2022-09-04T14:41:33.928706Z",
"structure_string": "Li1 Ac2 Ge1\n1.0\n0.000000 3.910681 3.910681\n3.910681 0.000000 3.910681\n3.910681 3.910681 0.000000\nLi Ac Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Ge"
],
"chemical_system": "Ac-Ge-Li",
"density": 7.407340084353647,
"density_atomic": 0.03344050456113207,
"volume": 119.6154200570647,
"volume_molar": 18.008522416254273,
"formula_full": "Li1 Ac2 Ge1",
"formula_reduced": "LiAc2Ge",
"formula_anonymous": "ABC2",
"energy": -15.9577355,
"energy_per_atom": -3.989433875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.9577355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.333000Z",
"spacegroup": 225
},
{
"id": "mp-771171",
"created_at": "2022-09-04T14:41:33.845447Z",
"structure_string": "Li7 Fe3 W2 O16\n1.0\n2.931692 5.147299 0.000000\n-2.931692 5.147299 0.000000\n0.000000 0.119569 9.713631\nLi Fe W O\n7 3 2 16\ndirect\n0.823617 0.336692 0.210287 Li\n0.673070 0.673070 0.907812 Li\n0.997797 0.997797 0.996148 Li\n0.000666 0.000666 0.484923 Li\n0.336692 0.823617 0.210287 Li\n0.170198 0.170198 0.711581 Li\n0.333248 0.333248 0.403095 Li\n0.828365 0.828365 0.217656 Fe\n0.662361 0.164624 0.714613 Fe\n0.164624 0.662361 0.714613 Fe\n0.650341 0.650341 0.479632 W\n0.327948 0.327948 0.991101 W\n0.827699 0.340898 0.590134 O\n0.515047 0.515047 0.358387 O\n0.683906 0.683906 0.115698 O\n0.983756 0.983756 0.297119 O\n0.992052 0.992052 0.802746 O\n0.340898 0.827699 0.590134 O\n0.963576 0.531657 0.356679 O\n0.531657 0.963576 0.356679 O\n0.168565 0.168565 0.074869 O\n0.834410 0.834410 0.598319 O\n0.497006 0.043485 0.846673 O\n0.043485 0.497006 0.846673 O\n0.347061 0.347061 0.613642 O\n0.650701 0.166626 0.088226 O\n0.485247 0.485247 0.841700 O\n0.166626 0.650701 0.088226 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-W",
"density": 4.756765059327729,
"density_atomic": 0.0955099671375665,
"volume": 293.1631204486813,
"volume_molar": 6.305248489224261,
"formula_full": "Li7 Fe3 W2 O16",
"formula_reduced": "Li7Fe3(WO8)2",
"formula_anonymous": "A2B3C7D16",
"energy": -197.96196318,
"energy_per_atom": -7.070070113571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.32596318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0012055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.054000Z",
"spacegroup": 8
},
{
"id": "mp-1078472",
"created_at": "2022-09-04T14:41:33.846909Z",
"structure_string": "Ti2 Cu2 Ge2 As2\n1.0\n3.646114 0.000000 0.000000\n0.000000 3.646114 0.000000\n0.000000 0.000000 9.261474\nTi Cu Ge As\n2 2 2 2\ndirect\n0.000000 0.500000 0.776497 Ti\n0.500000 0.000000 0.223503 Ti\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.312232 As\n0.500000 0.000000 0.687768 As\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Ge",
"As"
],
"chemical_system": "As-Cu-Ge-Ti",
"density": 6.985470544556982,
"density_atomic": 0.06497546386200595,
"volume": 123.12339958034461,
"volume_molar": 9.268330539032004,
"formula_full": "Ti2 Cu2 Ge2 As2",
"formula_reduced": "TiCuGeAs",
"formula_anonymous": "ABCD",
"energy": -45.87829208,
"energy_per_atom": -5.73478651,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.87829208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.631000Z",
"spacegroup": 129
}
]
}