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=-updated_at&page=117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=115",
"results": [
{
"id": "mp-1220139",
"created_at": "2022-09-04T14:48:22.270942Z",
"structure_string": "Nd2 Ge2 Pt2\n1.0\n2.216045 5.319667 0.000000\n-2.216045 5.319667 0.000000\n0.000000 4.953398 5.421138\nNd Ge Pt\n2 2 2\ndirect\n0.545388 0.545388 0.691476 Nd\n0.454612 0.454612 0.308524 Nd\n0.838270 0.838270 0.098094 Ge\n0.161730 0.161730 0.901906 Ge\n0.180291 0.180291 0.280610 Pt\n0.819709 0.819709 0.719390 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Pt"
],
"chemical_system": "Ge-Nd-Pt",
"density": 10.704268324756525,
"density_atomic": 0.04694266804064176,
"volume": 127.81548749647875,
"volume_molar": 12.828714283530253,
"formula_full": "Nd2 Ge2 Pt2",
"formula_reduced": "NdGePt",
"formula_anonymous": "ABC",
"energy": -36.97458948,
"energy_per_atom": -6.16243158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.97458948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.460000Z",
"spacegroup": 12
},
{
"id": "mp-1182013",
"created_at": "2022-09-04T14:48:29.760128Z",
"structure_string": "Cd3 H12 C12 O18\n1.0\n6.112574 -5.973293 0.000000\n6.112574 5.973293 0.000000\n0.275388 0.000000 8.542129\nCd H C O\n3 12 12 18\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.185163 0.940150 0.762207 H\n0.762207 0.185163 0.940151 H\n0.940151 0.762207 0.185163 H\n0.814837 0.059849 0.237793 H\n0.237793 0.814837 0.059849 H\n0.059849 0.237793 0.814837 H\n0.054044 0.807247 0.762482 H\n0.762482 0.054044 0.807247 H\n0.807247 0.762482 0.054044 H\n0.945956 0.192753 0.237518 H\n0.237518 0.945956 0.192753 H\n0.192753 0.237518 0.945956 H\n0.005803 0.387738 0.550533 C\n0.550533 0.005803 0.387738 C\n0.387738 0.550533 0.005803 C\n0.994197 0.612262 0.449467 C\n0.449467 0.994197 0.612262 C\n0.612262 0.449467 0.994197 C\n0.388974 0.001986 0.451914 C\n0.451914 0.388974 0.001986 C\n0.001986 0.451914 0.388974 C\n0.611026 0.998014 0.548086 C\n0.548086 0.611026 0.998014 C\n0.998014 0.548086 0.611026 C\n0.013511 0.252465 0.613059 O\n0.613059 0.013511 0.252465 O\n0.252465 0.613059 0.013511 O\n0.986489 0.747535 0.386941 O\n0.386941 0.986489 0.747535 O\n0.747535 0.386941 0.986489 O\n0.255600 0.004639 0.391181 O\n0.391181 0.255600 0.004639 O\n0.004639 0.391181 0.255600 O\n0.744400 0.995361 0.608819 O\n0.608819 0.744400 0.995361 O\n0.995361 0.608819 0.744400 O\n0.073757 0.919731 0.741370 O\n0.741370 0.073757 0.919731 O\n0.919731 0.741370 0.073757 O\n0.926243 0.080269 0.258630 O\n0.258630 0.926243 0.080269 O\n0.080269 0.258630 0.926243 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.0802423517412354,
"density_atomic": 0.07214038312727142,
"volume": 623.7837678323687,
"volume_molar": 8.34780811931041,
"formula_full": "Cd3 H12 C12 O18",
"formula_reduced": "CdH4(C2O3)2",
"formula_anonymous": "AB4C4D6",
"energy": -292.78721702,
"energy_per_atom": -6.506382600444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.42121702,
"band_gap": 2.6837,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0048295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.446000Z",
"spacegroup": 148
},
{
"id": "mp-865094",
"created_at": "2022-09-04T14:48:24.347019Z",
"structure_string": "Hf1 Nb1 Tc2\n1.0\n0.000000 3.228881 3.228881\n3.228881 0.000000 3.228881\n3.228881 3.228881 0.000000\nHf Nb Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Nb",
"Tc"
],
"chemical_system": "Hf-Nb-Tc",
"density": 11.527850294527846,
"density_atomic": 0.05941195963720987,
"volume": 67.32651177347783,
"volume_molar": 10.136243269492018,
"formula_full": "Hf1 Nb1 Tc2",
"formula_reduced": "HfNbTc2",
"formula_anonymous": "ABC2",
"energy": -42.54763001,
"energy_per_atom": -10.6369075025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.54763001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.442000Z",
"spacegroup": 225
},
{
"id": "mp-1043564",
"created_at": "2022-09-04T14:48:29.149408Z",
"structure_string": "Mg2 Co6 P8 O28\n1.0\n7.544760 0.000000 0.000000\n0.000000 7.315089 0.000000\n0.000000 3.583583 8.884508\nMg Co P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.128860 0.812850 0.521908 Co\n0.628860 0.187150 0.978092 Co\n0.871140 0.187150 0.478092 Co\n0.371140 0.812850 0.021908 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.926393 0.412281 0.705142 P\n0.426393 0.587719 0.794858 P\n0.073607 0.587719 0.294858 P\n0.573607 0.412281 0.205142 P\n0.207329 0.131208 0.687698 P\n0.707329 0.868792 0.812302 P\n0.792671 0.868792 0.312302 P\n0.292671 0.131208 0.187698 P\n0.383102 0.194030 0.602123 O\n0.883102 0.805970 0.897877 O\n0.616898 0.805970 0.397877 O\n0.116898 0.194030 0.102123 O\n0.384382 0.711247 0.625420 O\n0.884382 0.288753 0.874580 O\n0.615618 0.288753 0.374580 O\n0.115618 0.711247 0.125420 O\n0.790742 0.384541 0.596622 O\n0.290742 0.615459 0.903378 O\n0.209258 0.615459 0.403378 O\n0.709258 0.384541 0.096622 O\n0.114778 0.334379 0.671473 O\n0.614778 0.665621 0.828527 O\n0.885222 0.665621 0.328527 O\n0.385222 0.334379 0.171473 O\n0.527288 0.621098 0.190099 O\n0.027288 0.378902 0.309901 O\n0.472712 0.378902 0.809901 O\n0.972712 0.621098 0.690099 O\n0.785039 0.983474 0.141315 O\n0.285039 0.016526 0.358685 O\n0.214961 0.016526 0.858685 O\n0.714961 0.983474 0.641315 O\n0.414275 0.032120 0.109163 O\n0.914275 0.967880 0.390837 O\n0.585725 0.967880 0.890837 O\n0.085725 0.032120 0.609163 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P",
"density": 3.7183141195060854,
"density_atomic": 0.08973342613589358,
"volume": 490.3412462304267,
"volume_molar": 6.711145466439656,
"formula_full": "Mg2 Co6 P8 O28",
"formula_reduced": "MgCo3(P2O7)2",
"formula_anonymous": "AB3C4D14",
"energy": -332.56037961000004,
"energy_per_atom": -7.558190445681819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -303.49637961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.999711,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.404000Z",
"spacegroup": 14
},
{
"id": "mp-1224593",
"created_at": "2022-09-04T14:48:26.218815Z",
"structure_string": "La14 Zn45 Si1\n1.0\n4.521113 0.000000 0.000000\n0.000000 15.561936 0.000000\n0.000000 0.055958 17.420023\nLa Zn Si\n14 45 1\ndirect\n0.000000 0.336302 0.045745 La\n0.000000 0.665145 0.955541 La\n0.000000 0.833503 0.455799 La\n0.000000 0.164876 0.543569 La\n0.500000 0.084687 0.244360 La\n0.500000 0.916005 0.755515 La\n0.500000 0.580392 0.260128 La\n0.500000 0.416420 0.744996 La\n0.500000 0.499700 0.491364 La\n0.500000 0.999820 0.999485 La\n0.500000 0.335018 0.319113 La\n0.500000 0.668119 0.681877 La\n0.500000 0.831598 0.182004 La\n0.500000 0.167884 0.818302 La\n0.000000 0.243135 0.217718 Zn\n0.000000 0.757761 0.782826 Zn\n0.000000 0.741575 0.282987 Zn\n0.000000 0.258225 0.716733 Zn\n0.500000 0.199545 0.006203 Zn\n0.500000 0.799940 0.995010 Zn\n0.500000 0.697772 0.494799 Zn\n0.500000 0.299856 0.505376 Zn\n0.000000 0.194835 0.357590 Zn\n0.000000 0.805175 0.642296 Zn\n0.000000 0.694638 0.142774 Zn\n0.000000 0.305216 0.858015 Zn\n0.500000 0.426082 0.141466 Zn\n0.500000 0.574754 0.859432 Zn\n0.500000 0.925738 0.358984 Zn\n0.500000 0.074089 0.640579 Zn\n0.000000 0.425369 0.216887 Zn\n0.000000 0.575200 0.784165 Zn\n0.000000 0.924954 0.284309 Zn\n0.000000 0.074692 0.714925 Zn\n0.500000 0.250008 0.146352 Zn\n0.500000 0.749803 0.853866 Zn\n0.500000 0.748219 0.353889 Zn\n0.500000 0.249876 0.645936 Zn\n0.000000 0.135911 0.099698 Zn\n0.000000 0.865414 0.900966 Zn\n0.000000 0.634512 0.400456 Zn\n0.000000 0.366606 0.598609 Zn\n0.000000 0.032444 0.400717 Zn\n0.000000 0.967270 0.598754 Zn\n0.000000 0.533846 0.099955 Zn\n0.000000 0.467453 0.900591 Zn\n0.000000 0.348943 0.447458 Zn\n0.000000 0.651575 0.552015 Zn\n0.000000 0.847337 0.052084 Zn\n0.000000 0.152861 0.948387 Zn\n0.500000 0.148666 0.418343 Zn\n0.500000 0.851389 0.581424 Zn\n0.500000 0.647718 0.082738 Zn\n0.500000 0.350842 0.918541 Zn\n0.500000 0.499909 0.000002 Zn\n0.500000 0.000044 0.499878 Zn\n0.000000 0.521600 0.642738 Zn\n0.000000 0.978135 0.142189 Zn\n0.000000 0.022649 0.856810 Zn\n0.000000 0.478953 0.356732 Si\n",
"nsites": 60,
"nelements": 3,
"elements": [
"La",
"Zn",
"Si"
],
"chemical_system": "La-Si-Zn",
"density": 6.66067159020083,
"density_atomic": 0.048954603739200964,
"volume": 1225.625281733295,
"volume_molar": 12.3014799426876,
"formula_full": "La14 Zn45 Si1",
"formula_reduced": "La14Zn45Si",
"formula_anonymous": "AB14C45",
"energy": -152.75457603,
"energy_per_atom": -2.5459096005000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.82557603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.377000Z",
"spacegroup": 6
},
{
"id": "mp-1111894",
"created_at": "2022-09-04T14:48:28.366329Z",
"structure_string": "Na3 Gd1 Cl6\n1.0\n0.000000 5.348457 5.348457\n5.348457 0.000000 5.348457\n5.348457 5.348457 0.000000\nNa Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Gd\n0.752457 0.247543 0.247543 Cl\n0.247543 0.247543 0.752457 Cl\n0.247543 0.752457 0.752457 Cl\n0.247543 0.752457 0.247543 Cl\n0.752457 0.247543 0.752457 Cl\n0.752457 0.752457 0.247543 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-Na",
"density": 2.3819688172662343,
"density_atomic": 0.03268018291508268,
"volume": 305.99583931290556,
"volume_molar": 18.42750016316659,
"formula_full": "Na3 Gd1 Cl6",
"formula_reduced": "Na3GdCl6",
"formula_anonymous": "AB3C6",
"energy": -51.31466241,
"energy_per_atom": -5.131466241,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.63066241,
"band_gap": 3.0252,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.358000Z",
"spacegroup": 225
},
{
"id": "mp-24480",
"created_at": "2022-09-04T14:48:25.433801Z",
"structure_string": "Cr2 H34 N8 Cl4 O6\n1.0\n6.836277 0.000000 0.000000\n-2.142672 7.635915 0.000000\n-2.904432 -1.304056 9.951312\nCr H N Cl O\n2 34 8 4 6\ndirect\n0.988955 0.992345 0.850391 Cr\n0.011045 0.007655 0.149609 Cr\n0.539721 0.328055 0.592711 H\n0.460279 0.671945 0.407289 H\n0.744554 0.390147 0.548077 H\n0.255446 0.609853 0.451923 H\n0.606080 0.327684 0.158707 H\n0.393920 0.672316 0.841293 H\n0.672250 0.427614 0.306589 H\n0.327750 0.572386 0.693411 H\n0.255964 0.886671 0.734218 H\n0.744036 0.113329 0.265782 H\n0.191239 0.057699 0.663843 H\n0.808761 0.942301 0.336157 H\n0.362861 0.091621 0.814848 H\n0.637139 0.908379 0.185152 H\n0.711714 0.083305 0.642493 H\n0.288286 0.916695 0.357507 H\n0.761592 0.900245 0.592051 H\n0.238408 0.099755 0.407949 H\n0.604098 0.886211 0.687281 H\n0.395902 0.113789 0.312719 H\n0.267827 0.913362 0.040005 H\n0.732173 0.086638 0.959995 H\n0.110505 0.331105 0.279296 H\n0.889495 0.668895 0.720704 H\n0.243375 0.345099 0.169435 H\n0.756625 0.654901 0.830565 H\n0.985956 0.335094 0.119192 H\n0.014044 0.664906 0.880808 H\n0.922696 0.700478 0.242470 H\n0.077304 0.299522 0.757530 H\n0.786611 0.662799 0.081497 H\n0.213389 0.337201 0.918503 H\n0.045830 0.681291 0.129047 H\n0.954170 0.318709 0.870953 H\n0.224097 0.004041 0.752301 N\n0.775903 0.995959 0.247699 N\n0.739188 0.966504 0.671396 N\n0.260812 0.033496 0.328604 N\n0.068789 0.269295 0.851038 N\n0.931211 0.730705 0.148962 N\n0.902288 0.712706 0.817657 N\n0.097712 0.287294 0.182343 N\n0.808908 0.674205 0.452794 Cl\n0.191092 0.325795 0.547206 Cl\n0.651739 0.330051 0.957667 Cl\n0.348261 0.669949 0.042333 Cl\n0.680673 0.310404 0.604131 O\n0.319327 0.689596 0.395869 O\n0.604296 0.310615 0.251733 O\n0.395704 0.689385 0.748267 O\n0.800045 0.990195 0.967695 O\n0.199955 0.009805 0.032305 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Cr",
"H",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-H-N-O",
"density": 1.5603366932676677,
"density_atomic": 0.10395195947016778,
"volume": 519.4707273940032,
"volume_molar": 5.793196001974584,
"formula_full": "Cr2 H34 N8 Cl4 O6",
"formula_reduced": "CrH17N4Cl2O3",
"formula_anonymous": "AB2C3D4E17",
"energy": -287.1505106,
"energy_per_atom": -5.3176020481481485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.6865106,
"band_gap": 3.6068,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0021934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.342000Z",
"spacegroup": 2
},
{
"id": "mp-15845",
"created_at": "2022-09-04T14:48:29.342151Z",
"structure_string": "Sr2 Li8 N4\n1.0\n-1.914856 1.914856 13.532012\n1.914856 -1.914856 13.532012\n1.914856 1.914856 -13.532012\nSr Li N\n2 8 4\ndirect\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.853722 0.353722 0.500000 Li\n0.103722 0.103722 0.000000 Li\n0.177829 0.677829 0.500000 Li\n0.427829 0.427829 0.000000 Li\n0.572171 0.572171 0.000000 Li\n0.896278 0.896278 0.000000 Li\n0.646278 0.146278 0.500000 Li\n0.322171 0.822171 0.500000 Li\n0.818029 0.818029 0.000000 N\n0.568029 0.068029 0.500000 N\n0.931971 0.431971 0.500000 N\n0.181971 0.181971 0.000000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Li",
"N"
],
"chemical_system": "Li-N-Sr",
"density": 2.3995276830004615,
"density_atomic": 0.07053967107267918,
"volume": 198.46987924816622,
"volume_molar": 8.53723963894757,
"formula_full": "Sr2 Li8 N4",
"formula_reduced": "SrLi4N2",
"formula_anonymous": "AB2C4",
"energy": -59.56871384,
"energy_per_atom": -4.2549081314285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.12471384,
"band_gap": 0.8873999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001826,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.335000Z",
"spacegroup": 141
},
{
"id": "mp-1214383",
"created_at": "2022-09-04T14:48:24.725032Z",
"structure_string": "Bi2 Ru6 C18 O18\n1.0\n8.291642 0.000000 0.000000\n-3.369150 -8.718164 0.000000\n-3.982579 1.040428 -12.000217\nBi Ru C O\n2 6 18 18\ndirect\n0.007878 0.785897 0.903044 Bi\n0.992122 0.214103 0.096956 Bi\n0.009723 0.454797 0.232512 Ru\n0.990277 0.545203 0.767488 Ru\n0.201167 0.881309 0.751764 Ru\n0.798833 0.118691 0.248236 Ru\n0.789472 0.759170 0.679569 Ru\n0.210528 0.240830 0.320431 Ru\n0.232692 0.085303 0.785265 C\n0.767308 0.914697 0.214735 C\n0.284711 0.905919 0.623857 C\n0.715289 0.094081 0.376143 C\n0.417104 0.886935 0.859868 C\n0.582896 0.113065 0.140132 C\n0.199963 0.600589 0.192157 C\n0.800037 0.399411 0.807843 C\n0.586090 0.641703 0.721034 C\n0.413910 0.358297 0.278966 C\n0.178549 0.517368 0.883952 C\n0.821451 0.482632 0.116048 C\n0.776949 0.949464 0.706901 C\n0.223051 0.050536 0.293099 C\n0.004716 0.577768 0.349920 C\n0.995284 0.422232 0.650080 C\n0.673433 0.727288 0.519515 C\n0.326567 0.272712 0.480485 C\n0.457554 0.571119 0.745699 O\n0.542446 0.428881 0.254301 O\n0.236834 0.934510 0.276376 O\n0.763166 0.065490 0.723624 O\n0.314061 0.692016 0.164317 O\n0.685939 0.307984 0.835683 O\n0.554800 0.893920 0.926223 O\n0.445200 0.106080 0.073777 O\n0.004352 0.345886 0.583534 O\n0.995648 0.654114 0.416466 O\n0.346716 0.924055 0.551803 O\n0.653284 0.075945 0.448197 O\n0.254864 0.212287 0.806954 O\n0.745136 0.787713 0.193046 O\n0.592245 0.709891 0.424727 O\n0.407755 0.290109 0.575273 O\n0.292552 0.496516 0.956715 O\n0.707448 0.503484 0.043285 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Bi",
"Ru",
"C",
"O"
],
"chemical_system": "Bi-C-O-Ru",
"density": 2.9260224246517352,
"density_atomic": 0.05072219039163858,
"volume": 867.4704238966242,
"volume_molar": 11.872793176914408,
"formula_full": "Bi2 Ru6 C18 O18",
"formula_reduced": "BiRu3(CO)9",
"formula_anonymous": "AB3C9D9",
"energy": -351.75066679,
"energy_per_atom": -7.994333336136364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.38466679,
"band_gap": 0.3455,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0016836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.318000Z",
"spacegroup": 2
},
{
"id": "mp-1188832",
"created_at": "2022-09-04T14:48:30.118325Z",
"structure_string": "Nd4 Ga4 Pd8\n1.0\n5.782796 0.000000 0.000000\n0.000000 7.150495 0.000000\n0.000000 0.000000 7.584603\nNd Ga Pd\n4 4 8\ndirect\n0.349724 0.750000 0.033068 Nd\n0.150276 0.750000 0.533068 Nd\n0.650276 0.250000 0.966932 Nd\n0.849724 0.250000 0.466932 Nd\n0.651534 0.750000 0.379657 Ga\n0.848466 0.750000 0.879657 Ga\n0.348466 0.250000 0.620343 Ga\n0.151534 0.250000 0.120343 Ga\n0.912120 0.552950 0.177094 Pd\n0.587880 0.947050 0.677094 Pd\n0.087880 0.052950 0.822906 Pd\n0.412120 0.447050 0.322906 Pd\n0.087880 0.447050 0.822906 Pd\n0.412120 0.052950 0.322906 Pd\n0.912120 0.947050 0.177094 Pd\n0.587880 0.552950 0.677094 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Pd"
],
"chemical_system": "Ga-Nd-Pd",
"density": 9.039236609854566,
"density_atomic": 0.05101679244273256,
"volume": 313.6222258182998,
"volume_molar": 11.804232433389423,
"formula_full": "Nd4 Ga4 Pd8",
"formula_reduced": "NdGaPd2",
"formula_anonymous": "ABC2",
"energy": -86.35500653,
"energy_per_atom": -5.397187908125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.35500653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.314000Z",
"spacegroup": 62
},
{
"id": "mp-1110975",
"created_at": "2022-09-04T14:48:22.709132Z",
"structure_string": "Cs2 Li1 Ce1 F6\n1.0\n0.000000 4.552957 4.552957\n4.552957 0.000000 4.552957\n4.552957 4.552957 0.000000\nCs Li Ce F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.745867 0.254133 0.254133 F\n0.254133 0.254133 0.745867 F\n0.254133 0.745867 0.745867 F\n0.254133 0.745867 0.254133 F\n0.745867 0.254133 0.745867 F\n0.745867 0.745867 0.254133 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Ce",
"F"
],
"chemical_system": "Ce-Cs-F-Li",
"density": 4.634813902086704,
"density_atomic": 0.0529772436078923,
"volume": 188.76029251378884,
"volume_molar": 11.367410514168107,
"formula_full": "Cs2 Li1 Ce1 F6",
"formula_reduced": "Cs2LiCeF6",
"formula_anonymous": "ABC2D6",
"energy": -56.24452474,
"energy_per_atom": -5.624452474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.47252474,
"band_gap": 0.5298999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9991789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.271000Z",
"spacegroup": 225
},
{
"id": "mp-1100417",
"created_at": "2022-09-04T14:48:22.956165Z",
"structure_string": "V1 Sb1 Rh1\n1.0\n0.000000 3.041888 3.041888\n3.041888 0.000000 3.041888\n3.041888 3.041888 0.000000\nV Sb Rh\n1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-V",
"density": 8.129796724617197,
"density_atomic": 0.053291948581949106,
"volume": 56.29368187554229,
"volume_molar": 11.300282538439216,
"formula_full": "V1 Sb1 Rh1",
"formula_reduced": "VSbRh",
"formula_anonymous": "ABC",
"energy": -21.50683054,
"energy_per_atom": -7.168943513333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.50683054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9988245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:41.244000Z",
"spacegroup": 216
}
]
}