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=-formula_anonymous&page=10129",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10127",
"results": [
{
"id": "mp-1179536",
"created_at": "2022-09-04T14:39:26.915659Z",
"structure_string": "V8 O14\n1.0\n5.513105 0.784570 -1.478949\n-0.095825 6.980430 1.406886\n-2.515721 -1.550134 7.145479\nV O\n8 14\ndirect\n0.656377 0.989857 0.378303 V\n0.343623 0.010143 0.621697 V\n0.003518 0.211943 0.787536 V\n0.996482 0.788057 0.212464 V\n0.937917 0.303816 0.212700 V\n0.062083 0.696184 0.787300 V\n0.492816 0.419530 0.673221 V\n0.507184 0.580470 0.326779 V\n0.266717 0.249870 0.711563 O\n0.733283 0.750130 0.288437 O\n0.192114 0.498506 0.365366 O\n0.807886 0.501494 0.634634 O\n0.410620 0.830553 0.428356 O\n0.589380 0.169447 0.571644 O\n0.155167 0.691550 0.058544 O\n0.844833 0.308450 0.941456 O\n0.969268 0.051131 0.319963 O\n0.030732 0.948869 0.680037 O\n0.424245 0.640622 0.808911 O\n0.575755 0.359378 0.191089 O\n0.400160 0.193198 0.139065 O\n0.599840 0.806802 0.860935 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.055526276655942,
"density_atomic": 0.08508073209797677,
"volume": 258.5779348332989,
"volume_molar": 7.07814873180106,
"formula_full": "V8 O14",
"formula_reduced": "V4O7",
"formula_anonymous": "A4B7",
"energy": -186.21547863,
"energy_per_atom": -8.464339937727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.10547863,
"band_gap": 1.3076000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.972000Z",
"spacegroup": 2
},
{
"id": "mp-1190322",
"created_at": "2022-09-04T14:39:38.117108Z",
"structure_string": "P8 N14\n1.0\n-3.192209 -3.659452 1.254230\n-3.192209 3.659452 1.254230\n0.035448 0.000000 -9.030481\nP N\n8 14\ndirect\n0.025289 0.507848 0.202155 P\n0.492152 0.974711 0.297845 P\n0.974711 0.492152 0.797845 P\n0.507848 0.025289 0.702155 P\n0.744986 0.584190 0.476165 P\n0.415810 0.255014 0.023835 P\n0.255014 0.415810 0.523835 P\n0.584190 0.744986 0.976165 P\n0.848056 0.724952 0.903644 N\n0.275048 0.151944 0.596356 N\n0.151944 0.275048 0.096356 N\n0.724952 0.848056 0.403644 N\n0.989437 0.430654 0.368913 N\n0.569346 0.010563 0.131087 N\n0.010563 0.569346 0.631087 N\n0.430654 0.989437 0.868913 N\n0.185958 0.814042 0.250000 N\n0.814042 0.185958 0.750000 N\n0.692710 0.510017 0.101143 N\n0.489983 0.307290 0.398857 N\n0.307290 0.489983 0.898857 N\n0.510017 0.692710 0.601143 N\n",
"nsites": 22,
"nelements": 2,
"elements": [
"P",
"N"
],
"chemical_system": "N-P",
"density": 3.4989727581785286,
"density_atomic": 0.10443468361232086,
"volume": 210.65798486705535,
"volume_molar": 5.766418350397078,
"formula_full": "P8 N14",
"formula_reduced": "P4N7",
"formula_anonymous": "A4B7",
"energy": -166.69968722000002,
"energy_per_atom": -7.577258510000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.64568722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6655438,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.567000Z",
"spacegroup": 15
},
{
"id": "mp-568838",
"created_at": "2022-09-04T14:39:41.840861Z",
"structure_string": "Hg4 I7\n1.0\n9.512547 0.000000 0.000000\n0.000000 9.512547 0.000000\n0.000000 0.000000 6.583887\nHg I\n4 7\ndirect\n0.000000 0.272176 0.229953 Hg\n0.727824 0.000000 0.770047 Hg\n0.272176 0.000000 0.770047 Hg\n0.000000 0.727824 0.229953 Hg\n0.256148 0.256148 0.000000 I\n0.743852 0.743852 0.000000 I\n0.500000 0.000000 0.481124 I\n0.000000 0.500000 0.518876 I\n0.000000 0.000000 0.500000 I\n0.743852 0.256148 0.000000 I\n0.256148 0.743852 0.000000 I\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 4.712348631826353,
"density_atomic": 0.01846361286864177,
"volume": 595.7663908065457,
"volume_molar": 32.61626423194717,
"formula_full": "Hg4 I7",
"formula_reduced": "Hg4I7",
"formula_anonymous": "A4B7",
"energy": -17.02599961,
"energy_per_atom": -1.5478181463636362,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.37299961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.708000Z",
"spacegroup": 115
},
{
"id": "mp-1074891",
"created_at": "2022-09-04T14:44:52.988889Z",
"structure_string": "Mg14 Si8\n1.0\n3.549806 0.000000 0.000000\n0.000000 8.512806 0.000000\n0.000000 0.584741 14.816505\nMg Si\n14 8\ndirect\n0.500000 0.131572 0.886240 Mg\n0.500000 0.504259 0.506986 Mg\n0.000000 0.347017 0.370601 Mg\n0.000000 0.595382 0.663519 Mg\n0.500000 0.667497 0.824539 Mg\n0.500000 0.222268 0.218953 Mg\n0.000000 0.759864 0.413187 Mg\n0.000000 0.212398 0.571051 Mg\n0.000000 0.272719 0.039367 Mg\n0.000000 0.846488 0.947711 Mg\n0.500000 0.571090 0.033502 Mg\n0.500000 0.985528 0.082945 Mg\n0.500000 0.867093 0.583418 Mg\n0.500000 0.059889 0.405969 Mg\n0.000000 0.770137 0.156382 Si\n0.000000 0.916544 0.752662 Si\n0.500000 0.366419 0.745268 Si\n0.500000 0.566422 0.295130 Si\n0.000000 0.485326 0.187258 Si\n0.000000 0.407829 0.853792 Si\n0.500000 0.090160 0.706633 Si\n0.500000 0.857701 0.258498 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0952654804026434,
"density_atomic": 0.04913597221227099,
"volume": 447.7371467274198,
"volume_molar": 12.25607327760589,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -63.10265798,
"energy_per_atom": -2.8683026354545453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.67065798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.505000Z",
"spacegroup": 6
},
{
"id": "mp-1074792",
"created_at": "2022-09-04T14:43:09.643644Z",
"structure_string": "Mg14 Si8\n1.0\n4.648275 0.000000 0.000000\n-0.003629 6.086109 0.000000\n-0.419523 -0.492638 15.132134\nMg Si\n14 8\ndirect\n0.036512 0.041960 0.826752 Mg\n0.513114 0.697457 0.758614 Mg\n0.001686 0.911942 0.633259 Mg\n0.007107 0.406972 0.683768 Mg\n0.058880 0.283598 0.015229 Mg\n0.459608 0.848760 0.434237 Mg\n0.948198 0.283720 0.227247 Mg\n0.462588 0.353386 0.372912 Mg\n0.542705 0.345209 0.888403 Mg\n0.544965 0.826435 0.947902 Mg\n0.053501 0.785766 0.093706 Mg\n0.940329 0.775106 0.301717 Mg\n0.962365 0.115730 0.454964 Mg\n0.969436 0.577754 0.485140 Mg\n0.555425 0.097268 0.090847 Si\n0.528663 0.127632 0.724772 Si\n0.034705 0.604345 0.865750 Si\n0.428287 0.605012 0.229221 Si\n0.569642 0.495869 0.078799 Si\n0.466609 0.202256 0.561630 Si\n0.477261 0.600709 0.582769 Si\n0.442026 0.005686 0.246032 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.191444453089014,
"density_atomic": 0.0513914607761422,
"volume": 428.08668342451955,
"volume_molar": 11.718173932109162,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.22464218,
"energy_per_atom": -2.9193019172727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.79264218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.196000Z",
"spacegroup": 1
},
{
"id": "mp-1191610",
"created_at": "2022-09-04T14:43:06.626867Z",
"structure_string": "Zr14 As8\n1.0\n1.861547 8.205923 0.000000\n-1.861547 8.205923 0.000000\n0.000000 3.877109 14.587589\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.431322 0.431322 0.169379 Zr\n0.568678 0.568678 0.830621 Zr\n0.196059 0.196059 0.690871 Zr\n0.803941 0.803941 0.309129 Zr\n0.206335 0.206335 0.203854 Zr\n0.793665 0.793665 0.796146 Zr\n0.338523 0.338523 0.969344 Zr\n0.661477 0.661477 0.030656 Zr\n0.003290 0.003290 0.336779 Zr\n0.996710 0.996710 0.663221 Zr\n0.178750 0.178750 0.457305 Zr\n0.821250 0.821250 0.542695 Zr\n0.176144 0.176144 0.888976 As\n0.823856 0.823856 0.111024 As\n0.373996 0.373996 0.397652 As\n0.626004 0.626004 0.602348 As\n0.369627 0.369627 0.660203 As\n0.630373 0.630373 0.339797 As\n0.063175 0.063175 0.149719 As\n0.936825 0.936825 0.850281 As\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.991731554494053,
"density_atomic": 0.049363702159064965,
"volume": 445.6715975051722,
"volume_molar": 12.199532240500965,
"formula_full": "Zr14 As8",
"formula_reduced": "Zr7As4",
"formula_anonymous": "A4B7",
"energy": -178.96299619,
"energy_per_atom": -8.134681645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.96299619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113609,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.931000Z",
"spacegroup": 12
},
{
"id": "mp-1250310",
"created_at": "2022-09-04T14:43:08.481395Z",
"structure_string": "Mg8 Si14\n1.0\n14.780538 -0.040988 0.165925\n0.666683 4.355787 0.000090\n0.047471 -0.007619 5.802496\nMg Si\n8 14\ndirect\n0.088494 0.484498 0.204207 Mg\n0.477191 0.297622 0.452584 Mg\n0.601064 0.740100 0.211078 Mg\n0.350729 0.858686 0.693315 Mg\n0.131937 0.466045 0.706873 Mg\n0.847642 0.110666 0.214459 Mg\n0.567120 0.751077 0.720431 Mg\n0.387829 0.841198 0.186134 Mg\n0.024263 0.019396 0.492745 Si\n0.020810 0.011570 0.918507 Si\n0.931702 0.560098 0.498314 Si\n0.932246 0.568432 0.922069 Si\n0.472217 0.297363 0.950384 Si\n0.669740 0.207960 0.919163 Si\n0.758477 0.666955 0.922793 Si\n0.194805 0.931880 0.989536 Si\n0.282537 0.392955 0.408156 Si\n0.672404 0.203351 0.486113 Si\n0.758582 0.657562 0.490915 Si\n0.194263 0.941016 0.409399 Si\n0.289051 0.387157 0.988325 Si\n0.843247 0.104380 0.718192 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.611217505315022,
"density_atomic": 0.058871825004753325,
"volume": 373.69318851969877,
"volume_molar": 10.22924082872201,
"formula_full": "Mg8 Si14",
"formula_reduced": "Mg4Si7",
"formula_anonymous": "A4B7",
"energy": -83.8576762,
"energy_per_atom": -3.8117125545454544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.8516762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.231000Z",
"spacegroup": 1
},
{
"id": "mp-1217637",
"created_at": "2022-09-04T14:44:12.274601Z",
"structure_string": "Tb4 Si7\n1.0\n0.000000 0.008712 4.102910\n3.995247 0.000000 0.000000\n0.000000 13.621464 0.026648\nTb Si\n4 7\ndirect\n0.010747 0.750000 0.376378 Tb\n0.517802 0.250000 0.872993 Tb\n0.516201 0.750000 0.121258 Tb\n0.007958 0.250000 0.622528 Tb\n0.513157 0.250000 0.291227 Si\n0.027395 0.750000 0.779298 Si\n0.014485 0.250000 0.207885 Si\n0.509315 0.250000 0.462572 Si\n0.012996 0.750000 0.948791 Si\n0.019640 0.250000 0.038257 Si\n0.508306 0.750000 0.561013 Si\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.189724686759757,
"density_atomic": 0.04926461324387437,
"volume": 223.28400195789123,
"volume_molar": 12.224069902241242,
"formula_full": "Tb4 Si7",
"formula_reduced": "Tb4Si7",
"formula_anonymous": "A4B7",
"energy": -62.55317635,
"energy_per_atom": -5.686652395454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.05017635,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.957000Z",
"spacegroup": 6
},
{
"id": "mp-2650",
"created_at": "2022-09-04T14:44:10.688987Z",
"structure_string": "P16 S28\n1.0\n18.731907 0.000000 0.000000\n0.000000 7.503312 0.000000\n0.000000 6.458647 9.702002\nP S\n16 28\ndirect\n0.623779 0.397790 0.285216 P\n0.123779 0.602210 0.214784 P\n0.376221 0.602210 0.714784 P\n0.876221 0.397790 0.785216 P\n0.704361 0.111587 0.348793 P\n0.204361 0.888413 0.151207 P\n0.295639 0.888413 0.651207 P\n0.795639 0.111587 0.848793 P\n0.546161 0.022121 0.261462 P\n0.046161 0.977879 0.238538 P\n0.453839 0.977879 0.738538 P\n0.953839 0.022121 0.761462 P\n0.669943 0.388337 0.014614 P\n0.169943 0.611663 0.485386 P\n0.330057 0.611663 0.985386 P\n0.830057 0.388337 0.514614 P\n0.582243 0.182265 0.053140 S\n0.082243 0.817735 0.446860 S\n0.417757 0.817735 0.946860 S\n0.917757 0.182265 0.553140 S\n0.467492 0.840248 0.283969 S\n0.967492 0.159752 0.216031 S\n0.532508 0.159752 0.716031 S\n0.032508 0.840248 0.783969 S\n0.696696 0.526727 0.823180 S\n0.196696 0.473273 0.676820 S\n0.303304 0.473273 0.176820 S\n0.803304 0.526727 0.323180 S\n0.523075 0.253880 0.305407 S\n0.023075 0.746120 0.194593 S\n0.476925 0.746120 0.694593 S\n0.976925 0.253880 0.805407 S\n0.633399 0.859889 0.394464 S\n0.133399 0.140111 0.105536 S\n0.366601 0.140111 0.605536 S\n0.866601 0.859889 0.894464 S\n0.752266 0.210901 0.156980 S\n0.252266 0.789099 0.343020 S\n0.247734 0.789099 0.843020 S\n0.747734 0.210901 0.656980 S\n0.642061 0.603984 0.069854 S\n0.142061 0.396016 0.430146 S\n0.357939 0.396016 0.930146 S\n0.857939 0.603984 0.569854 S\n",
"nsites": 44,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 1.6967919896185686,
"density_atomic": 0.03226683128230883,
"volume": 1363.629406774882,
"volume_molar": 18.66356416380372,
"formula_full": "P16 S28",
"formula_reduced": "P4S7",
"formula_anonymous": "A4B7",
"energy": -224.37354972,
"energy_per_atom": -5.099398857272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.28954972,
"band_gap": 2.7617,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.756000Z",
"spacegroup": 14
},
{
"id": "mp-1213848",
"created_at": "2022-09-04T14:44:12.603567Z",
"structure_string": "Ce8 Ge14\n1.0\n2.976735 -7.103866 0.000000\n2.976735 7.103866 0.000000\n0.000000 0.000000 11.904061\nCe Ge\n8 14\ndirect\n0.993906 0.484347 0.380486 Ce\n0.006094 0.515653 0.880486 Ce\n0.515653 0.006094 0.119514 Ce\n0.484347 0.993906 0.619514 Ce\n0.494161 0.505839 0.250000 Ce\n0.505839 0.494161 0.750000 Ce\n0.009192 0.009192 0.000000 Ce\n0.990808 0.990808 0.500000 Ce\n0.938822 0.061178 0.250000 Ge\n0.061178 0.938822 0.750000 Ge\n0.073457 0.420533 0.127658 Ge\n0.926543 0.579467 0.627658 Ge\n0.579467 0.926543 0.372342 Ge\n0.420533 0.073457 0.872342 Ge\n0.968547 0.674972 0.160863 Ge\n0.031453 0.325028 0.660863 Ge\n0.325028 0.031453 0.339137 Ge\n0.674972 0.968547 0.839137 Ge\n0.603985 0.427428 0.009985 Ge\n0.396015 0.572572 0.509985 Ge\n0.572572 0.396015 0.490015 Ge\n0.427428 0.603985 0.990015 Ge\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ce",
"Ge"
],
"chemical_system": "Ce-Ge",
"density": 7.051377622807828,
"density_atomic": 0.04369810530041938,
"volume": 503.4543225330381,
"volume_molar": 13.781239984201797,
"formula_full": "Ce8 Ge14",
"formula_reduced": "Ce4Ge7",
"formula_anonymous": "A4B7",
"energy": -126.87368983,
"energy_per_atom": -5.766985901363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.87368983,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4242532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.538000Z",
"spacegroup": 20
},
{
"id": "mp-1227268",
"created_at": "2022-09-04T14:44:10.145295Z",
"structure_string": "Ce4 Ge7\n1.0\n0.000000 -4.090949 0.000000\n-4.203675 0.000000 0.000000\n0.000000 0.000000 -15.035834\nCe Ge\n4 7\ndirect\n0.250000 0.000000 0.376725 Ce\n0.750000 0.500000 0.877452 Ce\n0.250000 0.500000 0.125665 Ce\n0.750000 0.000000 0.622922 Ce\n0.750000 0.500000 0.433055 Ge\n0.250000 0.000000 0.961585 Ge\n0.750000 0.000000 0.057567 Ge\n0.250000 0.500000 0.536642 Ge\n0.250000 0.000000 0.793299 Ge\n0.750000 0.000000 0.223705 Ge\n0.250000 0.500000 0.705383 Ge\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Ce",
"Ge"
],
"chemical_system": "Ce-Ge",
"density": 6.864727965645317,
"density_atomic": 0.04254141836500507,
"volume": 258.5715385796514,
"volume_molar": 14.15594728960392,
"formula_full": "Ce4 Ge7",
"formula_reduced": "Ce4Ge7",
"formula_anonymous": "A4B7",
"energy": -62.57954197,
"energy_per_atom": -5.68904927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.57954197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3644222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.337000Z",
"spacegroup": 25
},
{
"id": "mp-1326565",
"created_at": "2022-09-04T14:44:07.870168Z",
"structure_string": "Mg14 Si8\n1.0\n5.144273 0.000000 0.000000\n-0.997761 5.962347 0.000000\n-0.164076 -3.067128 14.264222\nMg Si\n14 8\ndirect\n0.507954 0.780331 0.891132 Mg\n0.172775 0.305342 0.648088 Mg\n0.742468 0.034640 0.511024 Mg\n0.624093 0.068417 0.705104 Mg\n0.436322 0.279398 0.880293 Mg\n0.733594 0.943081 0.302026 Mg\n0.774443 0.439608 0.323301 Mg\n0.721634 0.530726 0.542117 Mg\n0.972880 0.544818 0.955098 Mg\n0.966259 0.036630 0.991676 Mg\n0.448275 0.399574 0.083919 Mg\n0.483183 0.893065 0.104771 Mg\n0.230638 0.769138 0.422667 Mg\n0.265678 0.268614 0.443225 Mg\n0.927157 0.241751 0.138231 Si\n0.048967 0.966651 0.817064 Si\n0.606943 0.569253 0.723728 Si\n0.293887 0.598809 0.267832 Si\n0.936774 0.652164 0.137938 Si\n0.098977 0.629929 0.753141 Si\n0.224068 0.869291 0.594769 Si\n0.283042 0.178772 0.266497 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1442372694350182,
"density_atomic": 0.05028440733306415,
"volume": 437.51137115489195,
"volume_molar": 11.976159369069833,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -58.75171954,
"energy_per_atom": -2.6705327063636366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.31971954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.853000Z",
"spacegroup": 1
}
]
}