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=150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=148",
"results": [
{
"id": "mp-30412",
"created_at": "2022-09-04T14:48:25.321861Z",
"structure_string": "Pb12 Au4\n1.0\n-6.110320 6.110320 3.039749\n6.110320 -6.110320 3.039749\n6.110320 6.110320 -3.039749\nPb Au\n12 4\ndirect\n0.140896 0.500000 0.640896 Pb\n0.500000 0.859104 0.359104 Pb\n0.500000 0.140896 0.640896 Pb\n0.859104 0.500000 0.359104 Pb\n0.160026 0.160026 0.808213 Pb\n0.648187 0.839974 0.000000 Pb\n0.839974 0.648187 0.000000 Pb\n0.351813 0.351813 0.191787 Pb\n0.562664 0.562664 0.599090 Pb\n0.036425 0.437336 0.000000 Pb\n0.437336 0.036425 0.000000 Pb\n0.963575 0.963575 0.400910 Pb\n0.705964 0.000000 0.705964 Au\n0.000000 0.294036 0.294036 Au\n0.000000 0.705964 0.705964 Au\n0.294036 0.000000 0.294036 Au\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pb",
"Au"
],
"chemical_system": "Au-Pb",
"density": 11.976708153140319,
"density_atomic": 0.035244743724478035,
"volume": 453.9684023546395,
"volume_molar": 17.086635122324715,
"formula_full": "Pb12 Au4",
"formula_reduced": "Pb3Au",
"formula_anonymous": "AB3",
"energy": -58.64719404,
"energy_per_atom": -3.6654496275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.64719404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017748,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.041000Z",
"spacegroup": 121
},
{
"id": "mp-11593",
"created_at": "2022-09-04T14:48:19.096764Z",
"structure_string": "Ce1 B2 Ir3\n1.0\n2.734623 -4.736506 0.000000\n2.734623 4.736506 0.000000\n0.000000 0.000000 3.204941\nCe B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"B",
"Ir"
],
"chemical_system": "B-Ce-Ir",
"density": 14.76823951082409,
"density_atomic": 0.07226793774742911,
"volume": 83.0243699629224,
"volume_molar": 8.33307404045058,
"formula_full": "Ce1 B2 Ir3",
"formula_reduced": "CeB2Ir3",
"formula_anonymous": "AB2C3",
"energy": -49.8428008,
"energy_per_atom": -8.307133466666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.8428008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4116603,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.015000Z",
"spacegroup": 191
},
{
"id": "mp-1197925",
"created_at": "2022-09-04T14:48:24.834532Z",
"structure_string": "Sr8 Ga4 P8 O32 F8\n1.0\n7.368186 0.000000 0.000000\n0.000000 8.273114 0.000000\n0.000000 3.894759 13.121730\nSr Ga P O F\n8 4 8 32 8\ndirect\n0.665649 0.868214 0.422493 Sr\n0.834351 0.868214 0.922493 Sr\n0.334351 0.131786 0.577507 Sr\n0.165649 0.131786 0.077507 Sr\n0.670208 0.328274 0.945089 Sr\n0.829792 0.328274 0.445089 Sr\n0.329792 0.671726 0.054911 Sr\n0.170208 0.671726 0.554911 Sr\n0.502762 0.269080 0.211668 Ga\n0.997238 0.269080 0.711668 Ga\n0.497238 0.730920 0.788332 Ga\n0.002762 0.730920 0.288332 Ga\n0.697470 0.960491 0.129963 P\n0.802530 0.960491 0.629963 P\n0.302530 0.039509 0.870037 P\n0.197470 0.039509 0.370037 P\n0.605053 0.482971 0.654538 P\n0.894947 0.482971 0.154538 P\n0.394947 0.517029 0.345462 P\n0.105053 0.517029 0.845462 P\n0.560199 0.096872 0.142130 O\n0.939801 0.096872 0.642130 O\n0.439801 0.903128 0.857870 O\n0.060199 0.903128 0.357870 O\n0.839614 0.053993 0.049982 O\n0.660386 0.053993 0.549982 O\n0.160386 0.946007 0.950018 O\n0.339614 0.946007 0.450018 O\n0.997792 0.313759 0.171897 O\n0.502208 0.313759 0.671897 O\n0.002208 0.686241 0.828103 O\n0.497792 0.686241 0.328103 O\n0.528954 0.624178 0.567223 O\n0.971046 0.624178 0.067223 O\n0.471046 0.375822 0.432777 O\n0.028954 0.375822 0.932777 O\n0.793052 0.879523 0.234362 O\n0.706948 0.879523 0.734362 O\n0.206948 0.120477 0.765638 O\n0.293052 0.120477 0.265638 O\n0.607271 0.534563 0.755862 O\n0.892729 0.534563 0.255862 O\n0.392729 0.465437 0.244138 O\n0.107271 0.465437 0.744138 O\n0.100466 0.167998 0.412779 O\n0.399534 0.167998 0.912779 O\n0.899534 0.832002 0.587221 O\n0.600466 0.832002 0.087221 O\n0.701006 0.426171 0.130366 O\n0.798994 0.426171 0.630366 O\n0.298994 0.573829 0.869634 O\n0.201006 0.573829 0.369634 O\n0.876173 0.633727 0.420957 F\n0.623827 0.633727 0.920957 F\n0.123827 0.366273 0.579043 F\n0.376173 0.366273 0.079043 F\n0.663640 0.184103 0.323001 F\n0.836360 0.184103 0.823001 F\n0.336360 0.815897 0.676999 F\n0.163640 0.815897 0.176999 F\n",
"nsites": 60,
"nelements": 5,
"elements": [
"Sr",
"Ga",
"P",
"O",
"F"
],
"chemical_system": "F-Ga-O-P-Sr",
"density": 3.926992213353965,
"density_atomic": 0.07501196872559834,
"volume": 799.872353963756,
"volume_molar": 8.028239842670473,
"formula_full": "Sr8 Ga4 P8 O32 F8",
"formula_reduced": "Sr2GaP2(O4F)2",
"formula_anonymous": "AB2C2D2E8",
"energy": -423.13829037,
"energy_per_atom": -7.0523048395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -397.45829037,
"band_gap": 0.0063999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0186347,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.014000Z",
"spacegroup": 14
},
{
"id": "mp-1217862",
"created_at": "2022-09-04T14:48:26.998675Z",
"structure_string": "Sr1 U3 Se2 O18\n1.0\n3.569241 8.647715 0.000000\n-3.569241 8.647715 0.000000\n0.000000 1.087551 6.861335\nSr U Se O\n1 3 2 18\ndirect\n0.334347 0.665653 0.500000 Sr\n0.392491 0.393706 0.046769 U\n0.606294 0.607509 0.953231 U\n0.002127 0.997873 0.000000 U\n0.204691 0.207259 0.885320 Se\n0.792741 0.795309 0.114680 Se\n0.317437 0.682563 0.000000 O\n0.685196 0.314804 0.000000 O\n0.021681 0.977472 0.264844 O\n0.022528 0.978319 0.735156 O\n0.383592 0.407927 0.778179 O\n0.592073 0.616408 0.221821 O\n0.383980 0.408684 0.313179 O\n0.591316 0.616020 0.686821 O\n0.961428 0.309814 0.939296 O\n0.306612 0.964226 0.942406 O\n0.035774 0.693388 0.057594 O\n0.690186 0.038572 0.060704 O\n0.252533 0.257077 0.081535 O\n0.742923 0.747467 0.918465 O\n0.962602 0.650641 0.534982 O\n0.349359 0.037398 0.465018 O\n0.497258 0.001069 0.503252 O\n0.998931 0.502742 0.496748 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-Sr-U",
"density": 4.891185656379754,
"density_atomic": 0.056662454156751973,
"volume": 423.56089860855644,
"volume_molar": 10.628097299386729,
"formula_full": "Sr1 U3 Se2 O18",
"formula_reduced": "SrU3(SeO9)2",
"formula_anonymous": "AB2C3D18",
"energy": -183.01282977,
"energy_per_atom": -7.6255345737499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.11482977,
"band_gap": 1.4102,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.99855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:35.012000Z",
"spacegroup": 5
},
{
"id": "mp-26182",
"created_at": "2022-09-04T14:48:18.936860Z",
"structure_string": "Fe1 P2 O7\n1.0\n4.026323 3.347445 0.000000\n-4.026323 3.347445 0.000000\n0.000000 1.028417 4.491819\nFe P O\n1 2 7\ndirect\n0.889510 0.110490 0.000000 Fe\n0.732643 0.662711 0.588497 P\n0.337289 0.267357 0.411503 P\n0.453105 0.546895 0.500000 O\n0.150203 0.329651 0.196946 O\n0.565819 0.158756 0.265687 O\n0.670349 0.849797 0.803054 O\n0.841244 0.434181 0.734313 O\n0.915454 0.802351 0.297562 O\n0.197649 0.084546 0.702438 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.1513943312265384,
"density_atomic": 0.08258966308257994,
"volume": 121.08052783798352,
"volume_molar": 7.291639819354353,
"formula_full": "Fe1 P2 O7",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy": -76.25308369,
"energy_per_atom": -7.625308369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.18808369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.99941,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.992000Z",
"spacegroup": 5
},
{
"id": "mp-1189307",
"created_at": "2022-09-04T14:48:21.349375Z",
"structure_string": "Nd2 Ho6 S12\n1.0\n3.975041 0.000000 0.000000\n0.000000 11.071517 0.000000\n0.000000 3.634367 10.688686\nNd Ho S\n2 6 12\ndirect\n0.750000 0.547666 0.806490 Nd\n0.250000 0.452334 0.193510 Nd\n0.750000 0.180597 0.998118 Ho\n0.250000 0.819403 0.001882 Ho\n0.750000 0.937626 0.667498 Ho\n0.250000 0.062374 0.332502 Ho\n0.750000 0.661056 0.414432 Ho\n0.250000 0.338944 0.585568 Ho\n0.750000 0.977530 0.887929 S\n0.250000 0.022470 0.112071 S\n0.750000 0.305983 0.748429 S\n0.250000 0.694017 0.251571 S\n0.750000 0.896582 0.438301 S\n0.250000 0.103418 0.561699 S\n0.750000 0.418856 0.404653 S\n0.250000 0.581144 0.595347 S\n0.750000 0.237750 0.227045 S\n0.250000 0.762250 0.772955 S\n0.750000 0.617159 0.036662 S\n0.250000 0.382841 0.963338 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nd",
"Ho",
"S"
],
"chemical_system": "Ho-Nd-S",
"density": 5.869864064352308,
"density_atomic": 0.04251644391659717,
"volume": 470.40622774645055,
"volume_molar": 14.164262589348716,
"formula_full": "Nd2 Ho6 S12",
"formula_reduced": "Nd(HoS2)3",
"formula_anonymous": "AB3C6",
"energy": -134.34865833,
"energy_per_atom": -6.7174329165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.31265833,
"band_gap": 1.0278,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005194,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.974000Z",
"spacegroup": 11
},
{
"id": "mp-1213683",
"created_at": "2022-09-04T14:48:24.888374Z",
"structure_string": "Cs4 Cu4 Te4 S12\n1.0\n9.193531 0.000000 0.000000\n0.000000 9.193531 0.000000\n0.000000 0.000000 9.193531\nCs Cu Te S\n4 4 4 12\ndirect\n0.417611 0.417611 0.417611 Cs\n0.082389 0.582389 0.917611 Cs\n0.582389 0.917611 0.082389 Cs\n0.917611 0.082389 0.582389 Cs\n0.646569 0.646569 0.646569 Cu\n0.853431 0.353431 0.146569 Cu\n0.353431 0.146569 0.853431 Cu\n0.146569 0.853431 0.353431 Cu\n0.070942 0.070942 0.070942 Te\n0.429058 0.929058 0.570942 Te\n0.929058 0.570942 0.429058 Te\n0.570942 0.429058 0.929058 Te\n0.032179 0.362875 0.311366 S\n0.467821 0.637125 0.811366 S\n0.967821 0.862875 0.188634 S\n0.311366 0.032179 0.362875 S\n0.532179 0.137125 0.688634 S\n0.811366 0.467821 0.637125 S\n0.188634 0.967821 0.862875 S\n0.688634 0.532179 0.137125 S\n0.362875 0.311366 0.032179 S\n0.862875 0.188634 0.967821 S\n0.137125 0.688634 0.532179 S\n0.637125 0.811366 0.467821 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cs",
"Cu",
"Te",
"S"
],
"chemical_system": "Cs-Cu-S-Te",
"density": 3.5922463298756875,
"density_atomic": 0.03088618064867573,
"volume": 777.0465462530091,
"volume_molar": 19.497848660864467,
"formula_full": "Cs4 Cu4 Te4 S12",
"formula_reduced": "CsCuTeS3",
"formula_anonymous": "ABCD3",
"energy": -99.43892385,
"energy_per_atom": -4.14328849375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.40292385,
"band_gap": 1.8105,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.971000Z",
"spacegroup": 198
},
{
"id": "mp-1104334",
"created_at": "2022-09-04T14:48:25.263076Z",
"structure_string": "Nb7 Co6\n1.0\n-2.488022 -4.309381 0.000000\n2.488022 -4.309381 0.000000\n0.000000 -2.872921 8.706517\nNb Co\n7 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.166628 0.166628 0.500115 Nb\n0.833372 0.833372 0.499885 Nb\n0.347380 0.347380 0.957860 Nb\n0.652620 0.652620 0.042140 Nb\n0.450366 0.450366 0.648902 Nb\n0.549634 0.549634 0.351098 Nb\n0.579425 0.093328 0.233919 Co\n0.093328 0.093328 0.233919 Co\n0.093328 0.579425 0.233919 Co\n0.420575 0.906672 0.766081 Co\n0.906672 0.906672 0.766081 Co\n0.906672 0.420575 0.766081 Co\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 8.929249449844175,
"density_atomic": 0.06963054517971008,
"volume": 186.69967277217472,
"volume_molar": 8.648705455999812,
"formula_full": "Nb7 Co6",
"formula_reduced": "Nb7Co6",
"formula_anonymous": "A6B7",
"energy": -115.60579216,
"energy_per_atom": -8.892753243076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.60579216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.933000Z",
"spacegroup": 166
},
{
"id": "mp-1220048",
"created_at": "2022-09-04T14:48:25.238434Z",
"structure_string": "Nd1 Te1\n1.0\n3.525623 0.000000 0.000000\n0.000000 3.525623 0.000000\n0.000000 0.000000 6.149698\nNd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Te"
],
"chemical_system": "Nd-Te",
"density": 5.905274959080734,
"density_atomic": 0.02616401957194034,
"volume": 76.44085399419684,
"volume_molar": 23.016879128383078,
"formula_full": "Nd1 Te1",
"formula_reduced": "NdTe",
"formula_anonymous": "AB",
"energy": -8.54726263,
"energy_per_atom": -4.273631315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.12526263,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.912000Z",
"spacegroup": 123
},
{
"id": "mp-17450",
"created_at": "2022-09-04T14:48:23.917652Z",
"structure_string": "Cs6 Ni2 F14\n1.0\n8.477162 0.000000 0.000000\n0.000000 8.477162 0.000000\n0.000000 0.000000 6.266396\nCs Ni F\n6 2 14\ndirect\n0.193010 0.693010 0.500000 Cs\n0.693010 0.806990 0.500000 Cs\n0.306990 0.193010 0.500000 Cs\n0.806990 0.306990 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.393945 0.893945 0.794849 F\n0.606055 0.106055 0.794849 F\n0.106055 0.393945 0.794849 F\n0.893945 0.606055 0.794849 F\n0.393945 0.893945 0.205151 F\n0.893945 0.606055 0.205151 F\n0.106055 0.393945 0.205151 F\n0.606055 0.106055 0.205151 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.849394 0.349394 0.000000 F\n0.349394 0.150606 0.000000 F\n0.650606 0.849394 0.000000 F\n0.150606 0.650606 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cs",
"Ni",
"F"
],
"chemical_system": "Cs-F-Ni",
"density": 4.35417213674554,
"density_atomic": 0.04885442196290157,
"volume": 450.31747620934027,
"volume_molar": 12.326705583729993,
"formula_full": "Cs6 Ni2 F14",
"formula_reduced": "Cs3NiF7",
"formula_anonymous": "AB3C7",
"energy": -98.0418787,
"energy_per_atom": -4.456449031818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.4918787,
"band_gap": 0.8734999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061149,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.906000Z",
"spacegroup": 127
},
{
"id": "mp-1233574",
"created_at": "2022-09-04T14:48:26.222544Z",
"structure_string": "Mg1 Fe10 O16 F4\n1.0\n-4.854038 -0.017638 0.003192\n0.044146 9.341190 -8.996048\n-0.015966 -4.673083 -3.002944\nMg Fe O F\n1 10 16 4\ndirect\n0.514605 0.898876 0.800179 Mg\n0.507868 0.011659 0.447967 Fe\n0.472453 0.408816 0.304959 Fe\n0.467626 0.211683 0.882608 Fe\n0.516447 0.606891 0.700564 Fe\n0.544194 0.790181 0.145508 Fe\n0.969543 0.396600 0.798523 Fe\n0.011610 0.798614 0.625607 Fe\n0.015503 0.202849 0.404573 Fe\n0.972740 0.589453 0.221922 Fe\n0.032292 0.002935 0.012262 Fe\n0.802207 0.255208 0.705563 O\n0.846867 0.862685 0.954193 O\n0.815732 0.666003 0.527260 O\n0.833249 0.065783 0.312256 O\n0.793946 0.453907 0.118661 O\n0.670741 0.465234 0.620852 O\n0.692255 0.651670 0.024645 O\n0.680443 0.867737 0.461478 O\n0.293651 0.347745 0.987284 O\n0.348428 0.747595 0.788478 O\n0.320390 0.142393 0.568709 O\n0.351348 0.935852 0.146528 O\n0.299480 0.547997 0.400495 O\n0.183103 0.144881 0.075332 O\n0.176998 0.946498 0.679382 O\n0.172837 0.341041 0.479805 O\n0.668539 0.052332 0.823300 F\n0.672279 0.260296 0.210303 F\n0.176677 0.543063 0.891847 F\n0.189845 0.741856 0.283721 F\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Mg-O",
"density": 4.464690453319519,
"density_atomic": 0.09111853914352996,
"volume": 340.21616557272483,
"volume_molar": 6.609127864214242,
"formula_full": "Mg1 Fe10 O16 F4",
"formula_reduced": "MgFe10(O4F)4",
"formula_anonymous": "AB4C10D16",
"energy": -225.50461909,
"energy_per_atom": -7.274342551290323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.10461909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.899000Z",
"spacegroup": 1
},
{
"id": "mp-573498",
"created_at": "2022-09-04T14:48:21.377529Z",
"structure_string": "Yb1 Al2 Ga2\n1.0\n-2.127535 2.127535 5.464156\n2.127535 -2.127535 5.464156\n2.127535 2.127535 -5.464156\nYb Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.612667 0.612667 0.000000 Ga\n0.387333 0.387333 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Yb",
"density": 6.150723751715839,
"density_atomic": 0.050539797377211794,
"volume": 98.93193600840357,
"volume_molar": 11.915640886038377,
"formula_full": "Yb1 Al2 Ga2",
"formula_reduced": "Yb(AlGa)2",
"formula_anonymous": "AB2C2",
"energy": -17.00762132,
"energy_per_atom": -3.401524264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00762132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.881000Z",
"spacegroup": 139
}
]
}