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=nelements&page=1756",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=1754",
"results": [
{
"id": "mp-1237095",
"created_at": "2022-09-04T14:40:24.821171Z",
"structure_string": "Cd12 Se16\n1.0\n9.843565 0.000000 0.000000\n-4.921783 11.403120 -2.495481\n0.000000 -2.763053 10.360460\nCd Se\n12 16\ndirect\n0.197064 0.443385 0.223252 Cd\n0.043162 0.391956 0.711901 Cd\n0.309314 0.707996 0.161186 Cd\n0.246796 0.791136 0.788273 Cd\n0.509689 0.066309 0.205218 Cd\n0.515896 0.112087 0.762557 Cd\n0.579655 0.443385 0.223252 Cd\n0.682128 0.391956 0.711901 Cd\n0.889954 0.066309 0.205218 Cd\n0.929525 0.112087 0.762557 Cd\n0.732015 0.707996 0.161186 Cd\n0.877673 0.791136 0.788273 Cd\n0.143733 0.203582 0.130758 Se\n0.185145 0.311138 0.827493 Se\n0.116044 0.628619 0.299106 Se\n0.060011 0.539482 0.596728 Se\n0.143021 0.952708 0.801543 Se\n0.393182 0.203582 0.130758 Se\n0.459327 0.311138 0.827493 Se\n0.481584 0.629837 0.273631 Se\n0.403361 0.827106 0.016280 Se\n0.480291 0.876934 0.643599 Se\n0.770470 0.207607 0.364433 Se\n0.816305 0.299276 0.834637 Se\n0.845908 0.628619 0.299106 Se\n0.812804 0.539482 0.596728 Se\n0.757077 0.827106 0.016280 Se\n0.729976 0.876934 0.643599 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 3.961250903768081,
"density_atomic": 0.025569342746505696,
"volume": 1095.061389633352,
"volume_molar": 23.55219224719018,
"formula_full": "Cd12 Se16",
"formula_reduced": "Cd3Se4",
"formula_anonymous": "A3B4",
"energy": -80.08445029,
"energy_per_atom": -2.8601589389285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.53245029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.399000Z",
"spacegroup": 8
},
{
"id": "mp-1244934",
"created_at": "2022-09-04T14:40:19.153762Z",
"structure_string": "Ga50 N50\n1.0\n11.231575 0.566771 0.014541\n0.552065 12.410931 -0.310176\n0.025548 -0.301053 11.399489\nGa N\n50 50\ndirect\n0.066153 0.690940 0.631082 Ga\n0.291099 0.672098 0.352073 Ga\n0.018427 0.568920 0.055816 Ga\n0.831353 0.755604 0.579091 Ga\n0.167087 0.212531 0.179211 Ga\n0.519111 0.521874 0.768114 Ga\n0.423962 0.748660 0.816984 Ga\n0.128804 0.009448 0.099261 Ga\n0.455383 0.456143 0.510980 Ga\n0.933299 0.128695 0.215707 Ga\n0.222659 0.938500 0.833569 Ga\n0.212506 0.170273 0.875657 Ga\n0.775710 0.445709 0.903200 Ga\n0.879629 0.325961 0.069133 Ga\n0.088560 0.310389 0.381035 Ga\n0.514547 0.961722 0.815742 Ga\n0.892744 0.114797 0.492029 Ga\n0.548117 0.616170 0.034743 Ga\n0.615694 0.545953 0.399464 Ga\n0.839556 0.002354 0.657919 Ga\n0.021657 0.718228 0.315065 Ga\n0.562308 0.704426 0.272879 Ga\n0.936429 0.348826 0.625443 Ga\n0.584604 0.151508 0.958935 Ga\n0.421856 0.253081 0.286632 Ga\n0.546905 0.883827 0.067536 Ga\n0.143961 0.472298 0.212556 Ga\n0.887831 0.553470 0.463761 Ga\n0.376415 0.862334 0.568542 Ga\n0.833124 0.975732 0.984753 Ga\n0.949376 0.587463 0.778868 Ga\n0.682039 0.309305 0.618879 Ga\n0.991240 0.167352 0.731385 Ga\n0.151636 0.515802 0.489831 Ga\n0.400793 0.060414 0.061563 Ga\n0.986447 0.177436 0.956950 Ga\n0.652449 0.891788 0.631158 Ga\n0.673118 0.684756 0.857261 Ga\n0.306824 0.631747 0.605562 Ga\n0.808668 0.558194 0.186450 Ga\n0.820929 0.346164 0.358005 Ga\n0.791420 0.762613 0.108378 Ga\n0.021761 0.908114 0.753708 Ga\n0.426538 0.281623 0.734632 Ga\n0.343591 0.879082 0.296058 Ga\n0.248413 0.603133 0.919001 Ga\n0.071335 0.923078 0.299477 Ga\n0.547851 0.704850 0.554168 Ga\n0.745659 0.561312 0.634337 Ga\n0.963797 0.776335 0.903738 Ga\n0.269693 0.125838 0.524325 N\n0.578326 0.213483 0.807085 N\n0.603951 0.101436 0.263394 N\n0.960963 0.050949 0.350956 N\n0.953494 0.695607 0.470763 N\n0.069033 0.628809 0.909444 N\n0.785864 0.499855 0.338549 N\n0.357633 0.613364 0.777663 N\n0.696684 0.940721 0.402653 N\n0.249204 0.773644 0.003785 N\n0.603631 0.642281 0.705925 N\n0.532922 0.756421 0.945826 N\n0.240043 0.367800 0.449943 N\n0.841183 0.457195 0.741901 N\n0.136262 0.389265 0.786647 N\n0.346721 0.335058 0.459319 N\n0.742157 0.089047 0.893180 N\n0.511926 0.083229 0.555021 N\n0.005339 0.429651 0.496011 N\n0.675259 0.656862 0.143874 N\n0.392123 0.537531 0.201100 N\n0.353180 0.455097 0.197612 N\n0.389341 0.369988 0.938391 N\n0.924461 0.675523 0.176685 N\n0.168803 0.900500 0.505450 N\n0.246522 0.032329 0.971367 N\n0.622747 0.528874 0.904808 N\n0.487382 0.831414 0.214545 N\n0.098562 0.942475 0.567940 N\n0.605722 0.362085 0.221005 N\n0.546025 0.148736 0.503336 N\n0.956761 0.055251 0.057163 N\n0.728861 0.867625 0.346340 N\n0.860590 0.270269 0.218532 N\n0.336582 0.175117 0.174129 N\n0.148691 0.591238 0.335651 N\n0.224936 0.806079 0.097048 N\n0.602183 0.380537 0.125346 N\n0.676056 0.193206 0.744118 N\n0.877179 0.477576 0.046570 N\n0.724342 0.896358 0.063741 N\n0.172937 0.156351 0.538095 N\n0.679227 0.105097 0.198904 N\n0.212570 0.412266 0.731866 N\n0.808062 0.276922 0.506057 N\n0.532097 0.391224 0.656566 N\n0.370384 0.885655 0.752719 N\n0.763619 0.123287 0.787188 N\n0.312937 0.347876 0.993586 N\n0.835325 0.690060 0.870062 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.387677692162994,
"density_atomic": 0.06311550783258221,
"volume": 1584.396663103087,
"volume_molar": 9.541459724881088,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -565.28643444,
"energy_per_atom": -5.6528643444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -547.23643444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.549000Z",
"spacegroup": 1
},
{
"id": "mp-680116",
"created_at": "2022-09-04T14:40:20.753793Z",
"structure_string": "Cd14 I28\n1.0\n2.170732 -3.759818 0.000000\n2.170732 3.759818 0.000000\n0.000000 0.000000 103.153452\nCd I\n14 28\ndirect\n0.000000 0.000000 0.803574 Cd\n0.000000 0.000000 0.517845 Cd\n0.666667 0.333333 0.303578 Cd\n0.666667 0.333333 0.160714 Cd\n0.000000 0.000000 0.660711 Cd\n0.000000 0.000000 0.232150 Cd\n0.000000 0.000000 0.946430 Cd\n0.666667 0.333333 0.732141 Cd\n0.666667 0.333333 0.017853 Cd\n0.666667 0.333333 0.589282 Cd\n0.666667 0.333333 0.446441 Cd\n0.000000 0.000000 0.089286 Cd\n0.000000 0.000000 0.374996 Cd\n0.000000 0.000000 0.875000 Cd\n0.666667 0.333333 0.072536 I\n0.333333 0.666667 0.534595 I\n0.333333 0.666667 0.177465 I\n0.333333 0.666667 0.106044 I\n0.333333 0.666667 0.463176 I\n0.666667 0.333333 0.786832 I\n0.000000 0.000000 0.715381 I\n0.000000 0.000000 0.286810 I\n0.666667 0.333333 0.643953 I\n0.333333 0.666667 0.320325 I\n0.333333 0.666667 0.606042 I\n0.000000 0.000000 0.143957 I\n0.333333 0.666667 0.820328 I\n0.333333 0.666667 0.963169 I\n0.000000 0.000000 0.001126 I\n0.666667 0.333333 0.858262 I\n0.666667 0.333333 0.929677 I\n0.333333 0.666667 0.677461 I\n0.666667 0.333333 0.215401 I\n0.333333 0.666667 0.034604 I\n0.333333 0.666667 0.891738 I\n0.333333 0.666667 0.248903 I\n0.666667 0.333333 0.358259 I\n0.333333 0.666667 0.391737 I\n0.666667 0.333333 0.501094 I\n0.000000 0.000000 0.572547 I\n0.000000 0.000000 0.429683 I\n0.333333 0.666667 0.748894 I\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.056294106154887,
"density_atomic": 0.024943793209413347,
"volume": 1683.7856074011206,
"volume_molar": 24.142842708170587,
"formula_full": "Cd14 I28",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy": -90.77168539,
"energy_per_atom": -2.1612306045238094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.15968539,
"band_gap": 2.3354000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.780000Z",
"spacegroup": 156
},
{
"id": "mp-30497",
"created_at": "2022-09-04T14:40:24.805303Z",
"structure_string": "Tb1 Cd2\n1.0\n2.496364 -4.323830 0.000000\n2.496364 4.323830 0.000000\n0.000000 0.000000 3.462496\nTb Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"Cd"
],
"chemical_system": "Cd-Tb",
"density": 8.525084441711064,
"density_atomic": 0.04013520237985627,
"volume": 74.74734951145257,
"volume_molar": 15.004635339829486,
"formula_full": "Tb1 Cd2",
"formula_reduced": "TbCd2",
"formula_anonymous": "AB2",
"energy": -7.43222038,
"energy_per_atom": -2.4774067933333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.43222038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0987316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.124000Z",
"spacegroup": 191
},
{
"id": "mp-715574",
"created_at": "2022-09-04T14:40:29.291042Z",
"structure_string": "Mo4 O12\n1.0\n5.281016 0.000000 0.000000\n0.000000 5.308104 0.000000\n0.000000 1.280282 10.398211\nMo O\n4 12\ndirect\n0.253236 0.086478 0.040115 Mo\n0.746764 0.586478 0.040115 Mo\n0.756159 0.185412 0.541123 Mo\n0.243841 0.685412 0.541123 Mo\n0.483386 0.975160 0.510256 O\n0.516614 0.475160 0.510256 O\n0.502165 0.330147 0.990928 O\n0.497835 0.830147 0.990928 O\n0.733213 0.550657 0.203961 O\n0.266787 0.050657 0.203961 O\n0.007303 0.459183 0.486680 O\n0.992697 0.959183 0.486680 O\n0.788192 0.143588 0.704091 O\n0.211808 0.643588 0.704091 O\n0.992183 0.320576 0.002045 O\n0.007817 0.820576 0.002045 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 3.279968128947788,
"density_atomic": 0.054891418032637425,
"volume": 291.4845448242327,
"volume_molar": 10.971005989350369,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy": -132.60098568,
"energy_per_atom": -8.287561605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.54898568,
"band_gap": 0.7662,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.428000Z",
"spacegroup": 7
},
{
"id": "mp-1186105",
"created_at": "2022-09-04T14:40:24.777376Z",
"structure_string": "Na1 Ac3\n1.0\n0.000000 4.448739 4.448739\n4.448739 0.000000 4.448739\n4.448739 4.448739 0.000000\nNa Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ac"
],
"chemical_system": "Ac-Na",
"density": 6.638571973215878,
"density_atomic": 0.02271533856112725,
"volume": 176.09246673722038,
"volume_molar": 26.511340536678972,
"formula_full": "Na1 Ac3",
"formula_reduced": "NaAc3",
"formula_anonymous": "AB3",
"energy": -12.8552802,
"energy_per_atom": -3.21382005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.8552802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.997000Z",
"spacegroup": 225
},
{
"id": "mp-1018055",
"created_at": "2022-09-04T14:40:21.932744Z",
"structure_string": "Hf2 Ir2\n1.0\n3.066005 0.000000 0.000000\n0.000000 4.664248 0.000000\n0.000000 0.000000 4.951987\nHf Ir\n2 2\ndirect\n0.500000 0.250000 0.268654 Hf\n0.500000 0.750000 0.731346 Hf\n0.000000 0.750000 0.206072 Ir\n0.000000 0.250000 0.793928 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.385047887907657,
"density_atomic": 0.056484072616109784,
"volume": 70.81642336921652,
"volume_molar": 10.661661741229384,
"formula_full": "Hf2 Ir2",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -41.3068139,
"energy_per_atom": -10.326703475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.3068139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.842000Z",
"spacegroup": 51
},
{
"id": "mp-13068",
"created_at": "2022-09-04T14:40:18.966202Z",
"structure_string": "Lu2 O3\n1.0\n1.783920 -3.089840 0.000000\n1.783920 3.089840 0.000000\n0.000000 0.000000 5.767486\nLu O\n2 3\ndirect\n0.666667 0.333333 0.749473 Lu\n0.333333 0.666667 0.250527 Lu\n0.666667 0.333333 0.353973 O\n0.333333 0.666667 0.646027 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 10.39274496941692,
"density_atomic": 0.07863974454723589,
"volume": 63.581081408481566,
"volume_molar": 7.657884438297902,
"formula_full": "Lu2 O3",
"formula_reduced": "Lu2O3",
"formula_anonymous": "A2B3",
"energy": -44.04372659,
"energy_per_atom": -8.808745318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.98272659,
"band_gap": 4.0883,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.386000Z",
"spacegroup": 164
},
{
"id": "mp-1180438",
"created_at": "2022-09-04T14:40:29.574326Z",
"structure_string": "N4 O24\n1.0\n2.901539 0.000000 0.000000\n0.000000 9.635770 0.000000\n0.000000 0.000000 15.893013\nN O\n4 24\ndirect\n0.320431 0.993445 0.830269 N\n0.820431 0.506555 0.169731 N\n0.679569 0.493445 0.669731 N\n0.179569 0.006555 0.330269 N\n0.427218 0.871729 0.811040 O\n0.927218 0.628271 0.188960 O\n0.572782 0.371729 0.688960 O\n0.072782 0.128271 0.311040 O\n0.329805 0.086765 0.774873 O\n0.829805 0.413235 0.225127 O\n0.670195 0.586765 0.725127 O\n0.170195 0.913235 0.274873 O\n0.203688 0.024395 0.903576 O\n0.703688 0.475605 0.096424 O\n0.796312 0.524395 0.596424 O\n0.296312 0.975605 0.403576 O\n0.905602 0.856240 0.625320 O\n0.405602 0.643760 0.374680 O\n0.094398 0.356240 0.874680 O\n0.594398 0.143760 0.125320 O\n0.058658 0.736403 0.981872 O\n0.558658 0.763597 0.018128 O\n0.941342 0.236403 0.518128 O\n0.441342 0.263597 0.481872 O\n0.184771 0.479840 0.879351 O\n0.684771 0.020160 0.120649 O\n0.815229 0.979840 0.620649 O\n0.315229 0.520160 0.379351 O\n",
"nsites": 28,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 1.6443449803668992,
"density_atomic": 0.06301398645341534,
"volume": 444.3457964796387,
"volume_molar": 9.556831901838201,
"formula_full": "N4 O24",
"formula_reduced": "NO6",
"formula_anonymous": "AB6",
"energy": -150.79837291,
"energy_per_atom": -5.385656175357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.93437291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.567637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.947000Z",
"spacegroup": 19
},
{
"id": "mp-1282",
"created_at": "2022-09-04T14:40:21.894546Z",
"structure_string": "V1 C1\n1.0\n0.000000 2.080973 2.080973\n2.080973 0.000000 2.080973\n2.080973 2.080973 0.000000\nV C\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"C"
],
"chemical_system": "C-V",
"density": 5.80003584596311,
"density_atomic": 0.11096874228225896,
"volume": 18.02309334022026,
"volume_molar": 5.426880251271249,
"formula_full": "V1 C1",
"formula_reduced": "VC",
"formula_anonymous": "AB",
"energy": -19.13191761,
"energy_per_atom": -9.565958805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.13191761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.953000Z",
"spacegroup": 225
},
{
"id": "mp-1185350",
"created_at": "2022-09-04T14:40:29.146214Z",
"structure_string": "Li2 Ca6\n1.0\n3.745834 -6.487974 0.000000\n3.745834 6.487974 0.000000\n0.000000 0.000000 6.155068\nLi Ca\n2 6\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.169033 0.338066 0.250000 Ca\n0.661934 0.830967 0.250000 Ca\n0.169033 0.830967 0.250000 Ca\n0.830967 0.661934 0.750000 Ca\n0.338066 0.169033 0.750000 Ca\n0.830967 0.169033 0.750000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Ca"
],
"chemical_system": "Ca-Li",
"density": 1.4117583345589777,
"density_atomic": 0.026740499037563602,
"volume": 299.1716792106996,
"volume_molar": 22.52067454515499,
"formula_full": "Li2 Ca6",
"formula_reduced": "LiCa3",
"formula_anonymous": "AB3",
"energy": -15.34071217,
"energy_per_atom": -1.91758902125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34071217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4454854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.124000Z",
"spacegroup": 194
},
{
"id": "mp-975887",
"created_at": "2022-09-04T14:40:21.883028Z",
"structure_string": "Pr1 Nd3\n1.0\n-2.603782 2.603782 5.216114\n2.603782 -2.603782 5.216114\n2.603782 2.603782 -5.216114\nPr Nd\n1 3\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Nd\n0.250000 0.750000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Nd"
],
"chemical_system": "Nd-Pr",
"density": 6.733911594384716,
"density_atomic": 0.028277674087491128,
"volume": 141.45434973272552,
"volume_molar": 21.296450130118536,
"formula_full": "Pr1 Nd3",
"formula_reduced": "PrNd3",
"formula_anonymous": "AB3",
"energy": -19.03066633,
"energy_per_atom": -4.7576665825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.03066633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.666000Z",
"spacegroup": 139
}
]
}