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=energy_per_atom&page=11477",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11475",
"results": [
{
"id": "mp-999496",
"created_at": "2022-09-04T14:39:22.600344Z",
"structure_string": "Na3 N1\n1.0\n2.242476 -3.884083 0.000000\n2.242476 3.884083 0.000000\n0.000000 0.000000 4.759236\nNa N\n3 1\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.6619505259572058,
"density_atomic": 0.04824768155261518,
"volume": 82.9055380751904,
"volume_molar": 12.481720501808404,
"formula_full": "Na3 N1",
"formula_reduced": "Na3N",
"formula_anonymous": "AB3",
"energy": -11.57608908,
"energy_per_atom": -2.89402227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.21508908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.385000Z",
"spacegroup": 191
},
{
"id": "mp-1188364",
"created_at": "2022-09-04T14:40:18.524149Z",
"structure_string": "Tl4 Hg6 S8\n1.0\n3.382128 6.070574 0.000000\n-3.382128 6.070574 0.000000\n0.000000 5.769244 12.373673\nTl Hg S\n4 6 8\ndirect\n0.107765 0.255670 0.942803 Tl\n0.744330 0.892235 0.557197 Tl\n0.892235 0.744330 0.057197 Tl\n0.255670 0.107765 0.442803 Tl\n0.124429 0.875571 0.250000 Hg\n0.875571 0.124429 0.750000 Hg\n0.554351 0.329038 0.152756 Hg\n0.670962 0.445649 0.347244 Hg\n0.445649 0.670962 0.847244 Hg\n0.329038 0.554351 0.652756 Hg\n0.712959 0.937731 0.252107 S\n0.062269 0.287041 0.247893 S\n0.287041 0.062269 0.747893 S\n0.937731 0.712959 0.752107 S\n0.266587 0.568694 0.422651 S\n0.431306 0.733413 0.077349 S\n0.733413 0.431306 0.577349 S\n0.568694 0.266587 0.922651 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"S"
],
"chemical_system": "Hg-S-Tl",
"density": 7.443493735826123,
"density_atomic": 0.03542615980319277,
"volume": 508.0991024710998,
"volume_molar": 16.999135083947927,
"formula_full": "Tl4 Hg6 S8",
"formula_reduced": "Tl2Hg3S4",
"formula_anonymous": "A2B3C4",
"energy": -52.09226358000001,
"energy_per_atom": -2.8940146433333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.06826358,
"band_gap": 1.5797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.288000Z",
"spacegroup": 15
},
{
"id": "mp-1209693",
"created_at": "2022-09-04T14:47:22.081482Z",
"structure_string": "Rb12 Sb8 I36\n1.0\n8.426432 0.000000 0.000000\n0.000000 15.030509 0.000000\n0.000000 14.632897 21.134752\nRb Sb I\n12 8 36\ndirect\n0.262498 0.003363 0.634430 Rb\n0.737502 0.003363 0.134430 Rb\n0.786786 0.418379 0.680534 Rb\n0.213214 0.418379 0.180534 Rb\n0.724142 0.685967 0.796464 Rb\n0.275858 0.685967 0.296464 Rb\n0.771559 0.070501 0.349163 Rb\n0.228441 0.070501 0.849163 Rb\n0.760029 0.761018 0.007094 Rb\n0.239971 0.761018 0.507094 Rb\n0.723759 0.339507 0.465177 Rb\n0.276241 0.339507 0.965177 Rb\n0.755529 0.209033 0.909875 Sb\n0.244471 0.209033 0.409875 Sb\n0.743078 0.698573 0.413624 Sb\n0.256922 0.698573 0.913624 Sb\n0.260116 0.553243 0.729937 Sb\n0.739884 0.553243 0.229937 Sb\n0.753285 0.053100 0.730280 Sb\n0.246715 0.053100 0.230280 Sb\n0.568560 0.432495 0.815724 I\n0.431440 0.432495 0.315724 I\n0.948545 0.856191 0.851265 I\n0.051455 0.856191 0.351265 I\n0.551125 0.223792 0.632402 I\n0.448875 0.223792 0.132402 I\n0.962073 0.186666 0.182777 I\n0.037927 0.186666 0.682777 I\n0.820914 0.286972 0.988322 I\n0.179086 0.286972 0.488322 I\n0.543731 0.566715 0.958131 I\n0.456269 0.566715 0.458131 I\n0.333023 0.477997 0.650943 I\n0.666977 0.477997 0.150943 I\n0.945154 0.013048 0.990482 I\n0.054846 0.013048 0.490482 I\n0.670988 0.135622 0.817606 I\n0.329012 0.135622 0.317606 I\n0.832374 0.619491 0.325173 I\n0.167626 0.619491 0.825173 I\n0.453543 0.748110 0.653820 I\n0.546457 0.748110 0.153820 I\n0.687583 0.782900 0.489929 I\n0.312417 0.782900 0.989929 I\n0.443748 0.899763 0.793478 I\n0.556252 0.899763 0.293478 I\n0.466585 0.098228 0.980262 I\n0.533415 0.098228 0.480262 I\n0.976431 0.667304 0.656491 I\n0.023569 0.667304 0.156491 I\n0.931473 0.328131 0.324223 I\n0.068527 0.328131 0.824223 I\n0.809541 0.965895 0.655406 I\n0.190459 0.965895 0.155406 I\n0.937544 0.523096 0.512588 I\n0.062456 0.523096 0.012588 I\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"I"
],
"chemical_system": "I-Rb-Sb",
"density": 4.074595547815445,
"density_atomic": 0.020920567561983645,
"volume": 2676.7916230801434,
"volume_molar": 28.78574274888837,
"formula_full": "Rb12 Sb8 I36",
"formula_reduced": "Rb3Sb2I9",
"formula_anonymous": "A2B3C9",
"energy": -162.06113576,
"energy_per_atom": -2.893948852857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.41713576,
"band_gap": 1.9451,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0096109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.238000Z",
"spacegroup": 7
},
{
"id": "mp-571566",
"created_at": "2022-09-04T14:42:17.730368Z",
"structure_string": "Li8 Zn4 Si4\n1.0\n2.116645 -3.666136 0.000000\n2.116645 3.666136 0.000000\n0.000000 0.000000 16.277836\nLi Zn Si\n8 4 4\ndirect\n0.666667 0.333333 0.791072 Li\n0.333333 0.666667 0.208928 Li\n0.666667 0.333333 0.459247 Li\n0.666667 0.333333 0.292212 Li\n0.333333 0.666667 0.042359 Li\n0.666667 0.333333 0.957641 Li\n0.333333 0.666667 0.707788 Li\n0.333333 0.666667 0.540753 Li\n0.000000 0.000000 0.872766 Zn\n0.000000 0.000000 0.377452 Zn\n0.000000 0.000000 0.622548 Zn\n0.000000 0.000000 0.127234 Zn\n0.333333 0.666667 0.874666 Si\n0.666667 0.333333 0.624597 Si\n0.333333 0.666667 0.375403 Si\n0.666667 0.333333 0.125334 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Si"
],
"chemical_system": "Li-Si-Zn",
"density": 2.823157266771653,
"density_atomic": 0.06333397141456874,
"volume": 252.62903371822205,
"volume_molar": 9.508547506961996,
"formula_full": "Li8 Zn4 Si4",
"formula_reduced": "Li2ZnSi",
"formula_anonymous": "ABC2",
"energy": -46.29474737,
"energy_per_atom": -2.893421710625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.57874737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.135000Z",
"spacegroup": 164
},
{
"id": "mp-1184811",
"created_at": "2022-09-04T14:46:08.162219Z",
"structure_string": "In2 Ga6\n1.0\n3.087015 -5.346867 0.000000\n3.087015 5.346867 0.000000\n0.000000 0.000000 5.205941\nIn Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.160082 0.320164 0.250000 Ga\n0.679836 0.839918 0.250000 Ga\n0.160082 0.839918 0.250000 Ga\n0.839918 0.679836 0.750000 Ga\n0.320164 0.160082 0.750000 Ga\n0.839918 0.160082 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Ga"
],
"chemical_system": "Ga-In",
"density": 6.260936785590108,
"density_atomic": 0.04655031544514484,
"volume": 171.85705238511747,
"volume_molar": 12.936842000773389,
"formula_full": "In2 Ga6",
"formula_reduced": "InGa3",
"formula_anonymous": "AB3",
"energy": -23.14664155,
"energy_per_atom": -2.89333019375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.14664155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.092000Z",
"spacegroup": 194
},
{
"id": "mp-1195452",
"created_at": "2022-09-04T14:46:33.056498Z",
"structure_string": "Rb12 Sb8 I36\n1.0\n8.447352 0.000000 0.000000\n0.000000 15.039635 0.000000\n0.000000 15.027240 21.058515\nRb Sb I\n12 8 36\ndirect\n0.517469 0.756695 0.772515 Rb\n0.982531 0.756695 0.272515 Rb\n0.482531 0.243305 0.227485 Rb\n0.017469 0.243305 0.727485 Rb\n0.510420 0.749494 0.431947 Rb\n0.989580 0.749494 0.931947 Rb\n0.489580 0.250506 0.568053 Rb\n0.010420 0.250506 0.068053 Rb\n0.474813 0.257829 0.894192 Rb\n0.025187 0.257829 0.394192 Rb\n0.525187 0.742171 0.105808 Rb\n0.974813 0.742171 0.605808 Rb\n0.507462 0.004012 0.158163 Sb\n0.992538 0.004012 0.658163 Sb\n0.492538 0.995988 0.841837 Sb\n0.007462 0.995988 0.341837 Sb\n0.491315 0.507401 0.658941 Sb\n0.008685 0.507401 0.158941 Sb\n0.508685 0.492599 0.341059 Sb\n0.991315 0.492599 0.841059 Sb\n0.068585 0.748858 0.748203 I\n0.431415 0.748858 0.248203 I\n0.931415 0.251142 0.251797 I\n0.568585 0.251142 0.751797 I\n0.057304 0.758640 0.418229 I\n0.442696 0.758640 0.918229 I\n0.942696 0.241360 0.581771 I\n0.557304 0.241360 0.081771 I\n0.933386 0.257369 0.920248 I\n0.566614 0.257369 0.420248 I\n0.066614 0.742631 0.079752 I\n0.433386 0.742631 0.579752 I\n0.806890 0.977034 0.439416 I\n0.693110 0.977034 0.939416 I\n0.193110 0.022966 0.560584 I\n0.306890 0.022966 0.060584 I\n0.794263 0.526482 0.921404 I\n0.705737 0.526482 0.421404 I\n0.205737 0.473518 0.078596 I\n0.294263 0.473518 0.578596 I\n0.793087 0.965913 0.109689 I\n0.706913 0.965913 0.609689 I\n0.206913 0.034087 0.890311 I\n0.293087 0.034087 0.390311 I\n0.777615 0.532508 0.587624 I\n0.722385 0.532508 0.087624 I\n0.222385 0.467492 0.412376 I\n0.277615 0.467492 0.912376 I\n0.797902 0.967273 0.777424 I\n0.702098 0.967273 0.277424 I\n0.202098 0.032727 0.222576 I\n0.297902 0.032727 0.722576 I\n0.816946 0.538596 0.255553 I\n0.683054 0.538596 0.755553 I\n0.183054 0.461404 0.744447 I\n0.316946 0.461404 0.244447 I\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"I"
],
"chemical_system": "I-Rb-Sb",
"density": 4.0767439975066075,
"density_atomic": 0.02093159854319148,
"volume": 2675.380950214879,
"volume_molar": 28.7705726228867,
"formula_full": "Rb12 Sb8 I36",
"formula_reduced": "Rb3Sb2I9",
"formula_anonymous": "A2B3C9",
"energy": -162.01593731,
"energy_per_atom": -2.8931417376785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.37193731,
"band_gap": 1.8775,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0063246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.116000Z",
"spacegroup": 14
},
{
"id": "mp-1112501",
"created_at": "2022-09-04T14:46:12.243939Z",
"structure_string": "Cs2 Tl1 Bi1 I6\n1.0\n0.000000 6.425900 6.425900\n6.425900 0.000000 6.425900\n6.425900 6.425900 0.000000\nCs Tl Bi I\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 Tl\n0.000000 0.000000 0.000000 Bi\n0.759432 0.240568 0.240568 I\n0.240568 0.240568 0.759432 I\n0.240568 0.759432 0.759432 I\n0.240568 0.759432 0.240568 I\n0.759432 0.240568 0.759432 I\n0.759432 0.759432 0.240568 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Bi",
"I"
],
"chemical_system": "Bi-Cs-I-Tl",
"density": 4.507762778360555,
"density_atomic": 0.018843783939731767,
"volume": 530.6789778519582,
"volume_molar": 31.95823502997415,
"formula_full": "Cs2 Tl1 Bi1 I6",
"formula_reduced": "Cs2TlBiI6",
"formula_anonymous": "ABC2D6",
"energy": -28.93056524,
"energy_per_atom": -2.893056524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.65656524,
"band_gap": 1.3773000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0045255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.321000Z",
"spacegroup": 225
},
{
"id": "mp-1185209",
"created_at": "2022-09-04T14:39:14.975870Z",
"structure_string": "Li4 Zn2 Si2\n1.0\n2.114245 -3.661980 0.000000\n2.114245 3.661980 0.000000\n0.000000 0.000000 8.191960\nLi Zn Si\n4 2 2\ndirect\n0.333333 0.666667 0.082924 Li\n0.333333 0.666667 0.417076 Li\n0.666667 0.333333 0.582924 Li\n0.666667 0.333333 0.917076 Li\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Si"
],
"chemical_system": "Li-Si-Zn",
"density": 2.811248507871198,
"density_atomic": 0.0630668134334454,
"volume": 126.84959909132597,
"volume_molar": 9.548826763469165,
"formula_full": "Li4 Zn2 Si2",
"formula_reduced": "Li2ZnSi",
"formula_anonymous": "ABC2",
"energy": -23.14434637,
"energy_per_atom": -2.89304329625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.28634637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.812000Z",
"spacegroup": 194
},
{
"id": "mp-1074841",
"created_at": "2022-09-04T14:44:56.704190Z",
"structure_string": "Mg14 Si8\n1.0\n5.371605 0.000000 0.000000\n-0.000710 6.131929 0.000000\n-1.613085 -2.352679 13.318054\nMg Si\n14 8\ndirect\n0.689726 0.958593 0.135215 Mg\n0.053082 0.402022 0.217556 Mg\n0.501615 0.536562 0.497407 Mg\n0.693621 0.762322 0.329343 Mg\n0.526697 0.452798 0.120181 Mg\n0.742400 0.370947 0.715010 Mg\n0.625177 0.863993 0.711746 Mg\n0.511421 0.056111 0.521485 Mg\n0.010809 0.514912 0.004300 Mg\n0.155260 0.033000 0.029774 Mg\n0.499934 0.663347 0.907618 Mg\n0.576930 0.170915 0.917259 Mg\n0.002594 0.296970 0.509806 Mg\n0.012099 0.814894 0.562162 Mg\n0.044211 0.129657 0.841558 Si\n0.213238 0.810773 0.189736 Si\n0.694339 0.260217 0.324748 Si\n0.233249 0.571066 0.702713 Si\n0.998853 0.735018 0.841825 Si\n0.257003 0.145280 0.340711 Si\n0.200431 0.775442 0.376238 Si\n0.257282 0.178903 0.699920 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1385540289407063,
"density_atomic": 0.05015112992759166,
"volume": 438.67406440819303,
"volume_molar": 12.007986198306565,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.64135607000001,
"energy_per_atom": -2.8927889122727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.20935607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.382000Z",
"spacegroup": 1
},
{
"id": "mp-865713",
"created_at": "2022-09-04T14:42:13.843145Z",
"structure_string": "Li2 Tl1 Bi1\n1.0\n0.000000 3.591645 3.591645\n3.591645 0.000000 3.591645\n3.591645 3.591645 0.000000\nLi Tl Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Bi"
],
"chemical_system": "Bi-Li-Tl",
"density": 7.656258524321172,
"density_atomic": 0.043166792826091024,
"volume": 92.66382184368133,
"volume_molar": 13.950864462555291,
"formula_full": "Li2 Tl1 Bi1",
"formula_reduced": "Li2TlBi",
"formula_anonymous": "ABC2",
"energy": -11.57064135,
"energy_per_atom": -2.8926603375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.57064135,
"band_gap": 0.2293000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40Z",
"spacegroup": 225
},
{
"id": "mp-1203087",
"created_at": "2022-09-04T14:45:59.653879Z",
"structure_string": "Ga4 Hg11 P4 Cl16\n1.0\n3.828256 6.638447 0.000000\n-3.828256 6.638447 0.000000\n0.000000 4.200124 22.181444\nGa Hg P Cl\n4 11 4 16\ndirect\n0.630798 0.630798 0.613300 Ga\n0.369202 0.369202 0.386700 Ga\n0.211820 0.211820 0.884539 Ga\n0.788180 0.788180 0.115461 Ga\n0.521845 0.521845 0.939890 Hg\n0.478155 0.478155 0.060110 Hg\n0.961100 0.961100 0.620321 Hg\n0.038900 0.038900 0.379679 Hg\n0.000000 0.000000 0.500000 Hg\n0.744368 0.744368 0.780728 Hg\n0.255632 0.255632 0.219272 Hg\n0.244088 0.744386 0.779976 Hg\n0.744386 0.244088 0.779976 Hg\n0.755912 0.255614 0.220024 Hg\n0.255614 0.755912 0.220024 Hg\n0.562820 0.562820 0.826367 P\n0.437180 0.437180 0.173633 P\n0.924881 0.924881 0.734883 P\n0.075119 0.075119 0.265117 P\n0.243307 0.243307 0.784660 Cl\n0.756693 0.756693 0.215340 Cl\n0.044458 0.044458 0.914526 Cl\n0.955542 0.955542 0.085474 Cl\n0.463825 0.928114 0.651532 Cl\n0.928114 0.463825 0.651532 Cl\n0.536175 0.071886 0.348468 Cl\n0.071886 0.536175 0.348468 Cl\n0.464049 0.464049 0.651516 Cl\n0.535951 0.535951 0.348484 Cl\n0.044438 0.519241 0.914034 Cl\n0.519241 0.044438 0.914034 Cl\n0.955562 0.480759 0.085966 Cl\n0.480759 0.955562 0.085966 Cl\n0.660652 0.660652 0.515674 Cl\n0.339348 0.339348 0.484326 Cl\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ga",
"Hg",
"P",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-P",
"density": 4.678580504856417,
"density_atomic": 0.03104422121478221,
"volume": 1127.4239981041683,
"volume_molar": 19.39858860795793,
"formula_full": "Ga4 Hg11 P4 Cl16",
"formula_reduced": "Ga4Hg11(PCl4)4",
"formula_anonymous": "A4B4C11D16",
"energy": -101.24170663,
"energy_per_atom": -2.8926201894285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.41770663,
"band_gap": 1.7188,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003825,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:16.225000Z",
"spacegroup": 12
},
{
"id": "mp-1211134",
"created_at": "2022-09-04T14:43:08.468363Z",
"structure_string": "Li4 Al8\n1.0\n-4.795409 -4.795409 0.000000\n-4.795409 0.000000 -4.795409\n0.000000 -4.795409 -4.795409\nLi Al\n4 8\ndirect\n0.875000 0.875000 0.875000 Li\n0.375000 0.875000 0.875000 Li\n0.875000 0.375000 0.875000 Li\n0.875000 0.875000 0.375000 Li\n0.601527 0.601527 0.601527 Al\n0.195419 0.601527 0.601527 Al\n0.601527 0.195419 0.601527 Al\n0.554581 0.148473 0.148473 Al\n0.148473 0.148473 0.148473 Al\n0.601527 0.601527 0.195419 Al\n0.148473 0.554581 0.148473 Al\n0.148473 0.148473 0.554581 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.8342076411275097,
"density_atomic": 0.05440944404501037,
"volume": 220.54994699216124,
"volume_molar": 11.068190211644447,
"formula_full": "Li4 Al8",
"formula_reduced": "LiAl2",
"formula_anonymous": "AB2",
"energy": -34.71088895,
"energy_per_atom": -2.8925740791666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.71088895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.285000Z",
"spacegroup": 227
}
]
}