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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10182",
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"results": [
{
"id": "mp-1235882",
"created_at": "2022-09-04T14:42:52.533614Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n-0.000046 -0.023547 5.660657\n0.000165 5.746521 -0.024314\n-8.185529 2.861244 2.818210\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.085919 0.621493 0.792429 Sr\n0.914081 0.378507 0.207571 Sr\n0.621651 0.086052 0.792428 Sr\n0.378349 0.913948 0.207572 Sr\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.703828 0.644067 0.500007 Ga\n0.296172 0.355933 0.499993 Ga\n0.256517 0.256465 0.986827 O\n0.248268 0.748408 0.003306 O\n0.751732 0.251592 0.996694 O\n0.743483 0.743535 0.013173 O\n0.669118 0.690710 0.695158 O\n0.330882 0.309290 0.304842 O\n0.135765 0.114049 0.695102 O\n0.864235 0.885951 0.304898 O\n0.341327 0.682584 0.500008 O\n0.658673 0.317416 0.499992 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.781690552164111,
"density_atomic": 0.07135747901944693,
"volume": 266.26501189625776,
"volume_molar": 8.439396742643888,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -131.030426,
"energy_per_atom": -6.8963382105263165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.824426,
"band_gap": 0.1051999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9966217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.699000Z",
"spacegroup": 12
},
{
"id": "mp-1236344",
"created_at": "2022-09-04T14:43:17.398632Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.005842 -0.011702 5.676746\n-0.000216 5.733338 -0.014516\n-8.243960 2.861157 2.822673\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.091361 0.627599 0.802028 Sr\n0.904991 0.371511 0.215944 Sr\n0.605079 0.070148 0.801845 Sr\n0.379376 0.911106 0.215882 Sr\n0.959589 0.456582 0.581574 Li\n0.495068 0.488861 0.015867 Mn\n0.991889 0.997488 0.011367 Mn\n0.646340 0.702083 0.497239 Ga\n0.359319 0.304287 0.492337 Ga\n0.245375 0.245658 0.994221 O\n0.238261 0.754529 0.007096 O\n0.760664 0.245158 0.993289 O\n0.749443 0.750944 0.014348 O\n0.696320 0.667189 0.692161 O\n0.360504 0.315760 0.289859 O\n0.111482 0.138736 0.682131 O\n0.850184 0.896909 0.298730 O\n0.306206 0.645797 0.504394 O\n0.689025 0.350129 0.503973 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.743591102707875,
"density_atomic": 0.0707889184579536,
"volume": 268.4035921707916,
"volume_molar": 8.50718006601127,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -131.20332408,
"energy_per_atom": -6.905438109473684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.99732408,
"band_gap": 0.6452,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0048564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.857000Z",
"spacegroup": 1
},
{
"id": "mp-1233002",
"created_at": "2022-09-04T14:45:57.150612Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.000126 -0.043293 5.716794\n0.000198 5.729961 -0.045892\n-8.109203 2.843044 2.835237\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.088772 0.620199 0.791420 Sr\n0.911228 0.379801 0.208580 Sr\n0.619764 0.088349 0.791423 Sr\n0.380236 0.911651 0.208577 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.673507 0.675252 0.500119 Ga\n0.326493 0.324748 0.499881 Ga\n0.262099 0.262106 0.975252 O\n0.249271 0.749814 0.000924 O\n0.750729 0.250186 0.999076 O\n0.737901 0.737894 0.024748 O\n0.711467 0.714755 0.686375 O\n0.288533 0.285245 0.313625 O\n0.102182 0.098978 0.686124 O\n0.897818 0.901022 0.313876 O\n0.334146 0.662960 0.500006 O\n0.665854 0.337040 0.499994 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.793258543902059,
"density_atomic": 0.07153010891231279,
"volume": 265.62241116243354,
"volume_molar": 8.419029205425106,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -132.20116942,
"energy_per_atom": -6.957956285263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.99516942,
"band_gap": 0.1160999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9976263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.957000Z",
"spacegroup": 69
},
{
"id": "mp-1235398",
"created_at": "2022-09-04T14:41:13.982267Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.023890 -0.059205 5.643127\n-0.008921 5.690305 -0.061595\n-8.675063 2.825616 2.758528\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.098494 0.611375 0.791857 Sr\n0.901506 0.388625 0.208143 Sr\n0.707202 0.082228 0.714538 Sr\n0.292798 0.917772 0.285462 Sr\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.673448 0.676981 0.501869 Ga\n0.326552 0.323019 0.498131 Ga\n0.244797 0.235341 0.012677 O\n0.247953 0.757428 0.004165 O\n0.752047 0.242572 0.995835 O\n0.755203 0.764659 0.987323 O\n0.698781 0.666311 0.692366 O\n0.301219 0.333689 0.307634 O\n0.150262 0.102535 0.686026 O\n0.849738 0.897465 0.313974 O\n0.321147 0.649792 0.521309 O\n0.678853 0.350208 0.478691 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.567198879883815,
"density_atomic": 0.06815660584758092,
"volume": 278.7697503964594,
"volume_molar": 8.835740402723918,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -130.58019435,
"energy_per_atom": -6.872641807894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.37419434999998,
"band_gap": 0.2450000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9981885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.629000Z",
"spacegroup": 2
},
{
"id": "mp-1236297",
"created_at": "2022-09-04T14:41:18.879556Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.000241 -0.244626 5.828813\n0.000168 5.856954 -0.249268\n-7.941591 2.805242 2.790035\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.057749 0.658214 0.784651 Sr\n0.914948 0.368907 0.215156 Sr\n0.658578 0.055832 0.784366 Sr\n0.370481 0.915530 0.215064 Sr\n0.382954 0.381622 0.736919 Li\n0.492731 0.492025 0.011858 Mn\n0.996154 0.995589 0.011728 Mn\n0.688559 0.690218 0.487432 Ga\n0.324288 0.322053 0.487757 Ga\n0.265678 0.265446 0.969618 O\n0.248984 0.747401 0.003849 O\n0.749331 0.249694 0.000785 O\n0.739191 0.738266 0.021951 O\n0.671925 0.675796 0.701070 O\n0.313346 0.307272 0.289993 O\n0.127722 0.122386 0.701411 O\n0.897267 0.902556 0.289658 O\n0.340960 0.647110 0.507565 O\n0.652012 0.345033 0.507738 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.704368599927779,
"density_atomic": 0.07020359849868643,
"volume": 270.64139739725033,
"volume_molar": 8.578108371628101,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -131.06991374999998,
"energy_per_atom": -6.898416513157894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.86391375,
"band_gap": 0.0653999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9981982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.419000Z",
"spacegroup": 42
},
{
"id": "mp-1235111",
"created_at": "2022-09-04T14:43:58.414301Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.014629 -0.212277 5.816266\n0.002330 5.822218 -0.218104\n-8.113706 2.801038 2.778895\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.135024 0.573138 0.805897 Sr\n0.917467 0.352535 0.228510 Sr\n0.560211 0.126598 0.806902 Sr\n0.351105 0.916017 0.228803 Sr\n0.891193 0.894222 0.707801 Li\n0.501556 0.498660 0.019522 Mn\n0.984153 0.986959 0.011753 Mn\n0.674109 0.678282 0.497161 Ga\n0.333451 0.326162 0.492291 Ga\n0.244327 0.245507 0.998602 O\n0.227122 0.754811 0.014682 O\n0.757070 0.232550 0.008412 O\n0.771683 0.775313 0.963295 O\n0.653419 0.670261 0.706718 O\n0.330840 0.323957 0.289371 O\n0.141116 0.116111 0.694231 O\n0.883089 0.889261 0.300911 O\n0.335175 0.654994 0.501847 O\n0.665034 0.341805 0.501862 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.635397235424269,
"density_atomic": 0.06917433434162497,
"volume": 274.66834601062345,
"volume_molar": 8.705744431538731,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -130.98463944,
"energy_per_atom": -6.893928391578947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -120.77863944,
"band_gap": 0.7337000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9979804,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.807000Z",
"spacegroup": 1
},
{
"id": "mp-1235032",
"created_at": "2022-09-04T14:42:10.420041Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O10\n1.0\n0.046177 -0.022234 5.902728\n-0.040506 5.725480 -0.025860\n-8.212093 2.911937 2.866285\nSr Li Mn Ga O\n4 1 2 2 10\ndirect\n0.116815 0.635139 0.783088 Sr\n0.785442 0.329022 0.225663 Sr\n0.663048 0.078230 0.774356 Sr\n0.341479 0.926642 0.222088 Sr\n0.218927 0.473268 0.159475 Li\n0.550675 0.511663 0.939206 Mn\n0.005929 0.997629 0.998352 Mn\n0.677882 0.671824 0.493173 Ga\n0.319056 0.322452 0.516546 Ga\n0.213582 0.282020 0.013170 O\n0.276980 0.784099 0.996159 O\n0.736630 0.212950 0.996346 O\n0.785449 0.725546 0.996359 O\n0.688236 0.678212 0.692369 O\n0.336649 0.303344 0.315967 O\n0.118641 0.121359 0.712814 O\n0.878362 0.877299 0.296179 O\n0.344310 0.668205 0.498849 O\n0.656195 0.329666 0.505554 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.5865558306122916,
"density_atomic": 0.06844547088190704,
"volume": 277.59323962840153,
"volume_molar": 8.798450331929706,
"formula_full": "Sr4 Li1 Mn2 Ga2 O10",
"formula_reduced": "Sr4LiMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -130.4761179,
"energy_per_atom": -6.867164099999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -120.2701179,
"band_gap": 0.4874,
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"is_magnetic": true,
"total_magnetization": 8.9994668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.360000Z",
"spacegroup": 1
},
{
"id": "mp-1235278",
"created_at": "2022-09-04T14:43:43.371510Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O11\n1.0\n-3.934907 4.195122 -0.000740\n-3.979032 -4.237052 0.000054\n-3.956328 -0.021730 7.555123\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.137773 0.632535 0.739386 Sr\n0.619837 0.129232 0.740336 Sr\n0.407971 0.820696 0.265373 Sr\n0.826282 0.413809 0.266991 Sr\n0.129249 0.129537 0.238144 Li\n0.240580 0.240919 0.507352 Mn\n0.750139 0.752243 0.507286 Mn\n0.531177 0.475132 0.993460 Ga\n0.975877 0.030209 0.993580 Ga\n0.161556 0.063183 0.756129 O\n0.579491 0.681544 0.756767 O\n0.322809 0.403460 0.244640 O\n0.935691 0.849347 0.242210 O\n0.530210 0.004775 0.465064 O\n0.967609 0.493988 0.537196 O\n0.003926 0.003045 0.490686 O\n0.497773 0.499403 0.501675 O\n0.753219 0.252211 0.996545 O\n0.740587 0.740750 0.017354 O\n0.257291 0.253032 0.989826 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 5.156003557744439,
"density_atomic": 0.07933750270037386,
"volume": 252.08759186096432,
"volume_molar": 7.590534810180788,
"formula_full": "Sr4 Li1 Mn2 Ga2 O11",
"formula_reduced": "Sr4LiMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -137.22148955,
"energy_per_atom": -6.8610744775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -126.32848955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.000989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.365000Z",
"spacegroup": 1
},
{
"id": "mp-1236134",
"created_at": "2022-09-04T14:44:51.766359Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O11\n1.0\n-4.643839 4.033388 -0.020080\n-4.363526 -3.758123 -0.043199\n-4.418320 0.157919 7.500229\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.037867 0.542216 0.752392 Sr\n0.600313 0.186186 0.717995 Sr\n0.371290 0.821362 0.264357 Sr\n0.924272 0.365045 0.249515 Sr\n0.378355 0.764923 0.731289 Li\n0.236910 0.201318 0.497132 Mn\n0.773243 0.776024 0.484650 Mn\n0.516575 0.477674 0.005191 Ga\n0.919196 0.938015 0.993745 Ga\n0.166342 0.044319 0.766821 O\n0.669362 0.721183 0.736046 O\n0.335797 0.388565 0.254091 O\n0.962270 0.858323 0.207108 O\n0.568022 0.072223 0.464323 O\n0.964752 0.445018 0.525037 O\n0.034106 0.961463 0.474188 O\n0.504646 0.594278 0.519424 O\n0.698781 0.195112 0.972046 O\n0.734564 0.668751 0.031728 O\n0.258101 0.466099 0.946670 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.923671590916975,
"density_atomic": 0.07576251718317598,
"volume": 263.9827812431931,
"volume_molar": 7.9487073343139825,
"formula_full": "Sr4 Li1 Mn2 Ga2 O11",
"formula_reduced": "Sr4LiMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -137.19859845000002,
"energy_per_atom": -6.859929922500001,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -126.30559845,
"band_gap": 0.4949000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0008434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.222000Z",
"spacegroup": 1
},
{
"id": "mp-1236640",
"created_at": "2022-09-04T14:47:46.254787Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O11\n1.0\n-4.343743 3.983194 0.023415\n-4.244664 -3.880261 0.055564\n-4.366366 0.026569 7.823560\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.204023 0.627911 0.737674 Sr\n0.613518 0.084361 0.709561 Sr\n0.341410 0.850925 0.279061 Sr\n0.883502 0.355575 0.257889 Sr\n0.818835 0.407988 0.768962 Li\n0.247787 0.236533 0.505972 Mn\n0.758836 0.739915 0.488669 Mn\n0.510571 0.496765 0.030491 Ga\n0.913644 0.985567 0.003451 Ga\n0.149256 0.057017 0.778257 O\n0.616173 0.653025 0.730204 O\n0.350427 0.410211 0.271284 O\n0.941227 0.825970 0.217145 O\n0.513385 0.997528 0.469220 O\n0.989253 0.468759 0.543203 O\n0.984355 0.986240 0.484686 O\n0.527617 0.499566 0.500201 O\n0.790400 0.303039 0.994245 O\n0.650652 0.812110 0.997137 O\n0.254654 0.379567 0.006125 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 4.9461871952010705,
"density_atomic": 0.07610897385173411,
"volume": 262.78110172607865,
"volume_molar": 7.9125239183116225,
"formula_full": "Sr4 Li1 Mn2 Ga2 O11",
"formula_reduced": "Sr4LiMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
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"updated_at": "2021-11-28T01:38:23.980000Z",
"spacegroup": 1
},
{
"id": "mp-1236178",
"created_at": "2022-09-04T14:41:31.385338Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O11\n1.0\n-4.226539 3.972042 0.000109\n-4.226857 -3.972387 0.000500\n-4.227280 -0.000540 7.501426\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.132222 0.632214 0.739686 Sr\n0.637379 0.137372 0.710121 Sr\n0.347387 0.847372 0.290012 Sr\n0.871870 0.371831 0.260331 Sr\n0.342878 0.842921 0.000203 Li\n0.246109 0.246112 0.499973 Mn\n0.746081 0.746059 0.499999 Mn\n0.514835 0.425056 0.000008 Ga\n0.925061 0.014793 0.000003 Ga\n0.168191 0.053530 0.768577 O\n0.553598 0.668203 0.768545 O\n0.322099 0.437011 0.231318 O\n0.937037 0.822112 0.231304 O\n0.525523 0.025490 0.455239 O\n0.980849 0.480805 0.544666 O\n0.998728 0.998834 0.499983 O\n0.498779 0.498772 0.499983 O\n0.822655 0.322730 0.000012 O\n0.682584 0.817530 0.000012 O\n0.317562 0.182683 0.000026 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 5.160295545087316,
"density_atomic": 0.07940354523769796,
"volume": 251.8779223286458,
"volume_molar": 7.58422151299726,
"formula_full": "Sr4 Li1 Mn2 Ga2 O11",
"formula_reduced": "Sr4LiMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:24.377000Z",
"spacegroup": 42
},
{
"id": "mp-1235246",
"created_at": "2022-09-04T14:40:10.548558Z",
"structure_string": "Sr4 Li1 Mn2 Ga2 O11\n1.0\n-4.005553 3.888704 -0.028631\n-4.005552 -3.888703 -0.028635\n-3.947781 0.000011 7.932427\nSr Li Mn Ga O\n4 1 2 2 11\ndirect\n0.092439 0.592445 0.797692 Sr\n0.635404 0.135404 0.736775 Sr\n0.407561 0.907555 0.202308 Sr\n0.864596 0.364596 0.263225 Sr\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Mn\n0.750000 0.750000 0.500000 Mn\n0.511525 0.488471 0.000001 Ga\n0.988475 0.011529 0.999999 Ga\n0.166083 0.070007 0.760958 O\n0.569996 0.666082 0.760962 O\n0.333917 0.429993 0.239042 O\n0.930004 0.833918 0.239038 O\n0.509392 0.009387 0.450864 O\n0.990608 0.490613 0.549136 O\n0.998331 0.001663 0.500003 O\n0.501669 0.498337 0.499997 O\n0.750000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Li",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Li-Mn-O-Sr",
"density": 5.241059075054132,
"density_atomic": 0.08064628619104926,
"volume": 247.99654075353757,
"volume_molar": 7.467350382054399,
"formula_full": "Sr4 Li1 Mn2 Ga2 O11",
"formula_reduced": "Sr4LiMn2Ga2O11",
"formula_anonymous": "AB2C2D4E11",
"energy": -136.50716509,
"energy_per_atom": -6.8253582545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -125.61416509,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.9994826,
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"updated_at": "2021-11-28T01:34:49.753000Z",
"spacegroup": 12
}
]
}