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=-band_gap&page=12190",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12188",
"results": [
{
"id": "mp-1039943",
"created_at": "2022-09-04T14:41:55.600992Z",
"structure_string": "Rb1 Mg30 Si1 O32\n1.0\n8.634433 0.000000 0.000000\n0.000000 8.634433 0.000000\n0.000000 0.000000 8.651369\nRb Mg Si O\n1 30 1 32\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.249375 0.249375 0.000000 Mg\n0.249375 0.750625 0.000000 Mg\n0.750625 0.249375 0.000000 Mg\n0.750625 0.750625 0.000000 Mg\n0.250721 0.250721 0.500000 Mg\n0.250721 0.749279 0.500000 Mg\n0.749279 0.250721 0.500000 Mg\n0.749279 0.749279 0.500000 Mg\n0.000000 0.251548 0.251704 Mg\n0.000000 0.748452 0.251704 Mg\n0.500000 0.248153 0.253863 Mg\n0.500000 0.751847 0.253863 Mg\n0.000000 0.251548 0.748296 Mg\n0.000000 0.748452 0.748296 Mg\n0.500000 0.248153 0.746137 Mg\n0.500000 0.751847 0.746137 Mg\n0.251548 0.000000 0.251704 Mg\n0.248153 0.500000 0.253863 Mg\n0.748452 0.000000 0.251704 Mg\n0.751847 0.500000 0.253863 Mg\n0.251548 0.000000 0.748296 Mg\n0.248153 0.500000 0.746137 Mg\n0.748452 0.000000 0.748296 Mg\n0.751847 0.500000 0.746137 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.221636 O\n0.000000 0.500000 0.252230 O\n0.500000 0.000000 0.252230 O\n0.500000 0.500000 0.279001 O\n0.000000 0.000000 0.778365 O\n0.000000 0.500000 0.747770 O\n0.500000 0.000000 0.747770 O\n0.500000 0.500000 0.720999 O\n0.248848 0.248848 0.248312 O\n0.248848 0.751152 0.248312 O\n0.751152 0.248848 0.248312 O\n0.751152 0.751152 0.248312 O\n0.248848 0.248848 0.751688 O\n0.248848 0.751152 0.751688 O\n0.751152 0.248848 0.751688 O\n0.751152 0.751152 0.751688 O\n0.000000 0.216176 0.000000 O\n0.000000 0.783824 0.000000 O\n0.500000 0.218736 0.000000 O\n0.500000 0.781264 0.000000 O\n0.000000 0.243524 0.500000 O\n0.000000 0.756476 0.500000 O\n0.500000 0.242668 0.500000 O\n0.500000 0.757332 0.500000 O\n0.216176 0.000000 0.000000 O\n0.218736 0.500000 0.000000 O\n0.783824 0.000000 0.000000 O\n0.781264 0.500000 0.000000 O\n0.243524 0.000000 0.500000 O\n0.242668 0.500000 0.500000 O\n0.756476 0.000000 0.500000 O\n0.757332 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Rb-Si",
"density": 3.4876640691765983,
"density_atomic": 0.09922645826785617,
"volume": 644.9892611024737,
"volume_molar": 6.069087686011703,
"formula_full": "Rb1 Mg30 Si1 O32",
"formula_reduced": "RbMg30SiO32",
"formula_anonymous": "ABC30D32",
"energy": -397.71059664,
"energy_per_atom": -6.2142280725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.72659664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.762000Z",
"spacegroup": 123
},
{
"id": "mp-1215970",
"created_at": "2022-09-04T14:41:55.609804Z",
"structure_string": "Y2 Co4 B8 Rh4\n1.0\n5.218986 0.000000 0.000000\n0.000000 5.218986 0.000000\n0.000000 0.000000 7.240458\nY Co B Rh\n2 4 8 4\ndirect\n0.500000 0.000000 0.256469 Y\n0.000000 0.500000 0.756469 Y\n0.752001 0.500000 0.107290 Co\n0.247999 0.500000 0.107290 Co\n0.500000 0.752001 0.607290 Co\n0.500000 0.247999 0.607290 Co\n0.335940 0.500000 0.404740 B\n0.664060 0.500000 0.404740 B\n0.500000 0.335940 0.904740 B\n0.500000 0.664060 0.904740 B\n0.183540 0.000000 0.594232 B\n0.816460 0.000000 0.594232 B\n0.000000 0.183540 0.094232 B\n0.000000 0.816460 0.094232 B\n0.746969 0.000000 0.890504 Rh\n0.253031 0.000000 0.890504 Rh\n0.000000 0.746969 0.390504 Rh\n0.000000 0.253031 0.390504 Rh\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Y",
"Co",
"B",
"Rh"
],
"chemical_system": "B-Co-Rh-Y",
"density": 7.67610780782763,
"density_atomic": 0.09127129293827009,
"volume": 197.21425456494867,
"volume_molar": 6.5980666714921865,
"formula_full": "Y2 Co4 B8 Rh4",
"formula_reduced": "YCo2(B2Rh)2",
"formula_anonymous": "AB2C2D4",
"energy": -133.17793581,
"energy_per_atom": -7.398774211666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.17793581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.162000Z",
"spacegroup": 105
},
{
"id": "mp-973613",
"created_at": "2022-09-04T14:41:55.670319Z",
"structure_string": "Li1 Ce1 O3\n1.0\n3.683360 0.000000 0.000000\n0.000000 3.683360 0.000000\n0.000000 0.000000 3.683360\nLi Ce O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"Ce",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 6.481479140444835,
"density_atomic": 0.10005470177224539,
"volume": 49.97266406711705,
"volume_molar": 6.018848343287459,
"formula_full": "Li1 Ce1 O3",
"formula_reduced": "LiCeO3",
"formula_anonymous": "ABC3",
"energy": -35.41605705,
"energy_per_atom": -7.08321141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.35505705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0025296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.492000Z",
"spacegroup": 221
},
{
"id": "mp-1080569",
"created_at": "2022-09-04T14:41:55.795259Z",
"structure_string": "Tl6 Au2\n1.0\n6.089730 0.000000 0.000000\n0.000000 6.089730 0.000000\n0.000000 0.000000 6.089730\nTl Au\n6 2\ndirect\n0.000000 0.500000 0.750000 Tl\n0.500000 0.250000 0.000000 Tl\n0.750000 0.000000 0.500000 Tl\n0.000000 0.500000 0.250000 Tl\n0.500000 0.750000 0.000000 Tl\n0.250000 0.000000 0.500000 Tl\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 11.913309947393882,
"density_atomic": 0.0354238592552337,
"volume": 225.83648897086334,
"volume_molar": 17.000239066584083,
"formula_full": "Tl6 Au2",
"formula_reduced": "Tl3Au",
"formula_anonymous": "AB3",
"energy": -20.3973715,
"energy_per_atom": -2.5496714375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.3973715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.865000Z",
"spacegroup": 223
},
{
"id": "mp-1407010",
"created_at": "2022-09-04T14:41:55.796478Z",
"structure_string": "Ca4 V2 N4\n1.0\n2.537803 5.467127 0.000000\n-2.537803 5.467127 0.000000\n0.000000 3.105288 5.907929\nCa V N\n4 2 4\ndirect\n0.321029 0.321029 0.612916 Ca\n0.678971 0.678971 0.387084 Ca\n0.969819 0.969819 0.769325 Ca\n0.030181 0.030181 0.230675 Ca\n0.636311 0.636311 0.871604 V\n0.363689 0.363689 0.128396 V\n0.808025 0.808025 0.625934 N\n0.191975 0.191975 0.374066 N\n0.507107 0.507107 0.205086 N\n0.492893 0.492893 0.794914 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"V",
"N"
],
"chemical_system": "Ca-N-V",
"density": 3.2232700538123558,
"density_atomic": 0.06099829106069667,
"volume": 163.93901904644258,
"volume_molar": 9.872638487539982,
"formula_full": "Ca4 V2 N4",
"formula_reduced": "Ca2VN2",
"formula_anonymous": "AB2C2",
"energy": -69.96584554,
"energy_per_atom": -6.996584554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.52184554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.896931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.519000Z",
"spacegroup": 12
},
{
"id": "mp-1075035",
"created_at": "2022-09-04T14:41:55.990334Z",
"structure_string": "Mg6 Si8\n1.0\n5.872183 0.000000 0.000000\n-0.472771 7.086166 0.000000\n-2.745409 -3.026288 6.422997\nMg Si\n6 8\ndirect\n0.731261 0.493005 0.057261 Mg\n0.327896 0.785403 0.066075 Mg\n0.743896 0.293316 0.379591 Mg\n0.734924 0.669733 0.756316 Mg\n0.934457 0.949587 0.533501 Mg\n0.166293 0.210346 0.065509 Mg\n0.284345 0.450858 0.689513 Si\n0.898282 0.936826 0.156524 Si\n0.509571 0.622555 0.355678 Si\n0.146238 0.594838 0.435011 Si\n0.322708 0.155782 0.428664 Si\n0.439722 0.929082 0.591375 Si\n0.956577 0.348534 0.777577 Si\n0.557519 0.060385 0.961015 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.30199882492271,
"density_atomic": 0.05238167880555621,
"volume": 267.26902075759733,
"volume_molar": 11.49665474135438,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -51.46068473,
"energy_per_atom": -3.6757631949999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.02868473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.512000Z",
"spacegroup": 1
},
{
"id": "mp-1203833",
"created_at": "2022-09-04T14:41:57.618006Z",
"structure_string": "Ga62 Mo12\n1.0\n9.583884 0.000000 0.000000\n0.752689 9.556224 0.000000\n0.762005 2.270661 14.381271\nGa Mo\n62 12\ndirect\n0.435761 0.472662 0.330392 Ga\n0.564239 0.527338 0.669608 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.110621 0.818389 0.608624 Ga\n0.889379 0.181611 0.391376 Ga\n0.160495 0.311611 0.083805 Ga\n0.839505 0.688389 0.916195 Ga\n0.070520 0.530542 0.672212 Ga\n0.929480 0.469458 0.327788 Ga\n0.278568 0.107495 0.707040 Ga\n0.721432 0.892505 0.292960 Ga\n0.210645 0.597638 0.020967 Ga\n0.789355 0.402362 0.979033 Ga\n0.074133 0.267050 0.917047 Ga\n0.925867 0.732950 0.082953 Ga\n0.018627 0.236401 0.737399 Ga\n0.981373 0.763599 0.262601 Ga\n0.269366 0.880792 0.962026 Ga\n0.730634 0.119208 0.037974 Ga\n0.343324 0.140127 0.881860 Ga\n0.656676 0.859873 0.118140 Ga\n0.434769 0.958708 0.326137 Ga\n0.565231 0.041292 0.673863 Ga\n0.149350 0.039231 0.362945 Ga\n0.850650 0.960769 0.637055 Ga\n0.201709 0.331616 0.402614 Ga\n0.798291 0.668384 0.597386 Ga\n0.106230 0.565299 0.852733 Ga\n0.893770 0.434701 0.147267 Ga\n0.628497 0.046205 0.858319 Ga\n0.371503 0.953795 0.141681 Ga\n0.834191 0.151520 0.212897 Ga\n0.165809 0.848480 0.787103 Ga\n0.401742 0.789226 0.647434 Ga\n0.598258 0.210774 0.352566 Ga\n0.439850 0.216866 0.050002 Ga\n0.560150 0.783134 0.949998 Ga\n0.328179 0.395481 0.734475 Ga\n0.671821 0.604519 0.265525 Ga\n0.089433 0.038524 0.175174 Ga\n0.910567 0.961476 0.824826 Ga\n0.341228 0.237451 0.242608 Ga\n0.658772 0.762549 0.757392 Ga\n0.278454 0.730006 0.309261 Ga\n0.721546 0.269994 0.690739 Ga\n0.214467 0.077850 0.535511 Ga\n0.785533 0.922150 0.464489 Ga\n0.049140 0.782872 0.436819 Ga\n0.950860 0.217128 0.563181 Ga\n0.398349 0.629339 0.825494 Ga\n0.601651 0.370661 0.174506 Ga\n0.177174 0.521210 0.216469 Ga\n0.822826 0.478790 0.783531 Ga\n0.566723 0.339887 0.852893 Ga\n0.433277 0.660113 0.147107 Ga\n0.546447 0.697549 0.455816 Ga\n0.453553 0.302451 0.544184 Ga\n0.300121 0.566356 0.520235 Ga\n0.699879 0.433644 0.479765 Ga\n0.303210 0.841126 0.472196 Mo\n0.696790 0.158874 0.527804 Mo\n0.185306 0.328748 0.590561 Mo\n0.814694 0.671252 0.409439 Mo\n0.304290 0.393833 0.928116 Mo\n0.695710 0.606167 0.071884 Mo\n0.064066 0.271641 0.254737 Mo\n0.935934 0.728359 0.745263 Mo\n0.425215 0.907288 0.808386 Mo\n0.574785 0.092712 0.191614 Mo\n0.828562 0.209700 0.872170 Mo\n0.171438 0.790300 0.127830 Mo\n",
"nsites": 74,
"nelements": 2,
"elements": [
"Ga",
"Mo"
],
"chemical_system": "Ga-Mo",
"density": 6.901399378097166,
"density_atomic": 0.05618321402175586,
"volume": 1317.1193796664058,
"volume_molar": 10.718754462263483,
"formula_full": "Ga62 Mo12",
"formula_reduced": "Ga31Mo6",
"formula_anonymous": "A6B31",
"energy": -327.94725945,
"energy_per_atom": -4.431719722297297,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.94725945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000965,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.346000Z",
"spacegroup": 2
},
{
"id": "mp-1019733",
"created_at": "2022-09-04T14:41:57.577859Z",
"structure_string": "Eu4 N12 O36\n1.0\n6.460677 0.000000 0.000000\n0.000000 10.191296 0.000000\n0.000000 0.515073 11.403729\nEu N O\n4 12 36\ndirect\n0.681304 0.287412 0.740607 Eu\n0.181304 0.212588 0.259393 Eu\n0.318696 0.712588 0.259393 Eu\n0.818696 0.787412 0.740607 Eu\n0.383936 0.173241 0.492528 N\n0.883936 0.326759 0.507472 N\n0.616064 0.826759 0.507472 N\n0.116064 0.673241 0.492528 N\n0.730652 0.195793 0.210596 N\n0.230652 0.304207 0.789404 N\n0.269348 0.804207 0.789404 N\n0.769348 0.695793 0.210596 N\n0.721433 0.532372 0.879592 N\n0.221433 0.967628 0.120408 N\n0.278567 0.467628 0.120408 N\n0.778567 0.032372 0.879592 N\n0.421116 0.274552 0.426055 O\n0.921116 0.225448 0.573945 O\n0.578884 0.725448 0.573945 O\n0.078884 0.774552 0.426055 O\n0.265396 0.086252 0.453367 O\n0.765396 0.413748 0.546633 O\n0.734604 0.913748 0.546633 O\n0.234604 0.586252 0.453367 O\n0.460673 0.159882 0.592866 O\n0.960673 0.340118 0.407134 O\n0.539327 0.840118 0.407134 O\n0.039327 0.659882 0.592866 O\n0.820567 0.105696 0.271689 O\n0.320567 0.394304 0.728311 O\n0.179433 0.894304 0.728311 O\n0.679433 0.605696 0.271689 O\n0.539683 0.189873 0.190592 O\n0.039683 0.310127 0.809408 O\n0.460317 0.810127 0.809408 O\n0.960317 0.689873 0.190592 O\n0.836913 0.291098 0.169179 O\n0.336913 0.208902 0.830821 O\n0.163087 0.708902 0.830821 O\n0.663087 0.791098 0.169179 O\n0.732039 0.539882 0.765571 O\n0.232039 0.960118 0.234429 O\n0.267961 0.460118 0.234429 O\n0.767961 0.039882 0.765571 O\n0.672659 0.424218 0.928274 O\n0.172659 0.075782 0.071726 O\n0.327341 0.575782 0.071726 O\n0.827341 0.924218 0.928274 O\n0.761456 0.633099 0.933666 O\n0.261456 0.866901 0.066334 O\n0.238544 0.366901 0.066334 O\n0.738544 0.133099 0.933666 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Eu",
"N",
"O"
],
"chemical_system": "Eu-N-O",
"density": 2.9898134212366245,
"density_atomic": 0.06925466148476274,
"volume": 750.8519843309165,
"volume_molar": 8.695646806857871,
"formula_full": "Eu4 N12 O36",
"formula_reduced": "Eu(NO3)3",
"formula_anonymous": "AB3C9",
"energy": -388.06087551,
"energy_per_atom": -7.462709144423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -363.32887551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9999548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.176000Z",
"spacegroup": 14
},
{
"id": "mp-1217660",
"created_at": "2022-09-04T14:41:57.582411Z",
"structure_string": "Tb4 Ni3 Bi8\n1.0\n4.540632 0.000000 0.000000\n0.000000 4.540632 0.000000\n0.000000 0.000000 18.713783\nTb Ni Bi\n4 3 8\ndirect\n0.500000 0.000000 0.386643 Tb\n0.500000 0.000000 0.887037 Tb\n0.000000 0.500000 0.112963 Tb\n0.000000 0.500000 0.613357 Tb\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.069486 Bi\n0.500000 0.000000 0.575001 Bi\n0.000000 0.500000 0.424999 Bi\n0.000000 0.500000 0.930514 Bi\n0.500000 0.500000 0.248981 Bi\n0.500000 0.500000 0.751019 Bi\n0.000000 0.000000 0.249077 Bi\n0.000000 0.000000 0.750923 Bi\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Tb",
"density": 10.689093723760488,
"density_atomic": 0.038877386203964984,
"volume": 385.8284073241065,
"volume_molar": 15.49008652074923,
"formula_full": "Tb4 Ni3 Bi8",
"formula_reduced": "Tb4Ni3Bi8",
"formula_anonymous": "A3B4C8",
"energy": -74.24001055,
"energy_per_atom": -4.9493340366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.24001055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0313263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.676000Z",
"spacegroup": 115
},
{
"id": "mp-1028205",
"created_at": "2022-09-04T14:41:57.588189Z",
"structure_string": "Mg14 Mn1 Al1\n1.0\n6.240407 0.011201 0.000000\n-3.110503 5.387548 0.000000\n0.000000 0.000000 10.216924\nMg Mn Al\n14 1 1\ndirect\n0.167142 0.333570 0.625000 Mg\n0.167626 0.833812 0.625000 Mg\n0.668827 0.335058 0.125000 Mg\n0.665666 0.332416 0.625000 Mg\n0.668827 0.833768 0.125000 Mg\n0.665666 0.833249 0.625000 Mg\n0.329412 0.163332 0.364970 Mg\n0.329412 0.163332 0.885030 Mg\n0.329412 0.666081 0.364970 Mg\n0.329412 0.666081 0.885030 Mg\n0.836665 0.168333 0.372073 Mg\n0.836665 0.168333 0.877927 Mg\n0.838396 0.669199 0.370351 Mg\n0.838396 0.669199 0.879649 Mg\n0.163896 0.831947 0.125000 Mn\n0.164580 0.332289 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Al"
],
"chemical_system": "Al-Mg-Mn",
"density": 2.038837236287243,
"density_atomic": 0.046531379474400586,
"volume": 343.8539794162445,
"volume_molar": 12.942106655817293,
"formula_full": "Mg14 Mn1 Al1",
"formula_reduced": "Mg14MnAl",
"formula_anonymous": "ABC14",
"energy": -34.5307728,
"energy_per_atom": -2.1581733,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.5307728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9120079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.215000Z",
"spacegroup": 38
},
{
"id": "mp-1225323",
"created_at": "2022-09-04T14:41:57.591536Z",
"structure_string": "Dy2 In1 Ag1\n1.0\n3.705400 0.000000 0.000000\n0.000000 3.705400 0.000000\n0.000000 0.000000 7.468429\nDy In Ag\n2 1 1\ndirect\n0.000000 0.000000 0.763994 Dy\n0.000000 0.000000 0.236006 Dy\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"In",
"Ag"
],
"chemical_system": "Ag-Dy-In",
"density": 8.869138658801345,
"density_atomic": 0.03900861584003182,
"volume": 102.54144921222965,
"volume_molar": 15.437976022260953,
"formula_full": "Dy2 In1 Ag1",
"formula_reduced": "Dy2InAg",
"formula_anonymous": "ABC2",
"energy": -16.35507221,
"energy_per_atom": -4.0887680525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.35507221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2277692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.790000Z",
"spacegroup": 123
},
{
"id": "mp-1075273",
"created_at": "2022-09-04T14:41:57.622327Z",
"structure_string": "Mg6 Si8\n1.0\n5.394534 0.000000 0.000000\n-1.413683 7.279973 0.000000\n-2.237756 -3.103096 6.389590\nMg Si\n6 8\ndirect\n0.410697 0.727221 0.107312 Mg\n0.890057 0.191488 0.275545 Mg\n0.422062 0.463856 0.679772 Mg\n0.956255 0.649822 0.647947 Mg\n0.119182 0.963089 0.510524 Mg\n0.125377 0.103059 0.945741 Mg\n0.880331 0.291878 0.702410 Si\n0.887907 0.774491 0.050889 Si\n0.077821 0.567720 0.274278 Si\n0.463721 0.445338 0.295737 Si\n0.451502 0.133840 0.373151 Si\n0.635262 0.908408 0.554948 Si\n0.651517 0.339736 0.981157 Si\n0.534958 0.940166 0.854042 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.451867658339068,
"density_atomic": 0.05579192428873655,
"volume": 250.9323737884833,
"volume_molar": 10.793929115679862,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.57245559,
"energy_per_atom": -3.6123182564285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.14045559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.449000Z",
"spacegroup": 1
}
]
}