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"results": [
{
"id": "mp-1218228",
"created_at": "2022-09-04T14:44:26.510380Z",
"structure_string": "Sr2 La2 Mn4 O10\n1.0\n-0.012189 0.000491 5.495092\n5.637632 -0.002302 -0.012057\n2.809345 8.255865 2.742254\nSr La Mn O\n2 2 4 10\ndirect\n0.886403 0.375991 0.224607 Sr\n0.610706 0.100623 0.775354 Sr\n0.102555 0.632886 0.776136 La\n0.378789 0.909230 0.223629 La\n0.722752 0.696016 0.499874 Mn\n0.207779 0.301346 0.500185 Mn\n0.502284 0.502476 0.000129 Mn\n0.002268 0.002384 0.000448 Mn\n0.331836 0.662324 0.499834 O\n0.834739 0.354926 0.499852 O\n0.378036 0.295325 0.269692 O\n0.148862 0.064851 0.729916 O\n0.675212 0.677564 0.730241 O\n0.905280 0.909327 0.270315 O\n0.761156 0.257834 0.983695 O\n0.245631 0.743064 0.015915 O\n0.736441 0.744197 0.024800 O\n0.261269 0.269635 0.975378 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "La-Mn-O-Sr",
"density": 5.4064045928928035,
"density_atomic": 0.0703708402057061,
"volume": 255.78776588971937,
"volume_molar": 8.55772183818787,
"formula_full": "Sr2 La2 Mn4 O10",
"formula_reduced": "SrLaMn2O5",
"formula_anonymous": "ABC2D5",
"energy": -149.31811398999997,
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"energy_uncorrected": -135.77611399,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:33.470000Z",
"spacegroup": 8
},
{
"id": "mp-1218315",
"created_at": "2022-09-04T14:45:26.045475Z",
"structure_string": "Sr4 La4 Mn8 O20\n1.0\n5.531725 0.000000 0.000000\n0.000000 5.660801 0.000000\n0.000000 0.000000 16.382382\nSr La Mn O\n4 4 8 20\ndirect\n0.247914 0.988718 0.636986 Sr\n0.747914 0.511282 0.363014 Sr\n0.252086 0.011282 0.136986 Sr\n0.752086 0.488718 0.863014 Sr\n0.255888 0.019881 0.857985 La\n0.755888 0.480119 0.142015 La\n0.244112 0.980119 0.357985 La\n0.744112 0.519881 0.642015 La\n0.249880 0.501006 0.749710 Mn\n0.749880 0.998994 0.250290 Mn\n0.250120 0.498994 0.249710 Mn\n0.750120 0.001006 0.750290 Mn\n0.206320 0.443615 0.499887 Mn\n0.706320 0.056385 0.500113 Mn\n0.293680 0.556385 0.999887 Mn\n0.793680 0.943615 0.000113 Mn\n0.323007 0.090023 0.491649 O\n0.823007 0.409977 0.508351 O\n0.176993 0.909977 0.991649 O\n0.676993 0.590023 0.008351 O\n0.989977 0.750210 0.757673 O\n0.489977 0.749790 0.242327 O\n0.510023 0.249790 0.257673 O\n0.010023 0.250210 0.742327 O\n0.514074 0.253534 0.741652 O\n0.014074 0.246466 0.258348 O\n0.985926 0.746466 0.241652 O\n0.485926 0.753534 0.758348 O\n0.270431 0.531194 0.618612 O\n0.770431 0.968806 0.381388 O\n0.229569 0.468806 0.118612 O\n0.729569 0.031194 0.881388 O\n0.247581 0.442321 0.882212 O\n0.747581 0.057679 0.117788 O\n0.252419 0.557679 0.382212 O\n0.752419 0.942321 0.617788 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.3914153343906435,
"density_atomic": 0.07017573702821837,
"volume": 512.9978183987442,
"volume_molar": 8.581514088805989,
"formula_full": "Sr4 La4 Mn8 O20",
"formula_reduced": "SrLaMn2O5",
"formula_anonymous": "ABC2D5",
"energy": -298.939678,
"energy_per_atom": -8.303879944444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -271.855678,
"band_gap": 0.1107000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0021144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.621000Z",
"spacegroup": 19
},
{
"id": "mp-39412",
"created_at": "2022-09-04T14:48:07.893354Z",
"structure_string": "Sr1 La1 Mn2 O6\n1.0\n-2.747305 2.747305 3.949063\n2.747305 -2.747305 3.949063\n2.747305 2.747305 -3.949063\nSr La Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.500000 O\n0.957633 0.957633 0.429607 O\n0.471973 0.042367 0.000000 O\n0.000000 0.500000 0.500000 O\n0.042367 0.471973 0.000000 O\n0.528027 0.528027 0.570393 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.02233523827077,
"density_atomic": 0.08387493438060609,
"volume": 119.22513053330319,
"volume_molar": 7.179905182009256,
"formula_full": "Sr1 La1 Mn2 O6",
"formula_reduced": "SrLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy": -82.26097727999999,
"energy_per_atom": -8.226097728,
"energy_above_hull": null,
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"energy_uncorrected": -74.80297728,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.806000Z",
"spacegroup": 121
},
{
"id": "mp-699554",
"created_at": "2022-09-04T14:40:36.114172Z",
"structure_string": "Sr6 La6 Mn12 O36\n1.0\n5.495590 0.000000 0.000000\n0.000000 5.495590 0.000000\n0.000000 0.000000 23.646055\nSr La Mn O\n6 6 12 36\ndirect\n0.500000 0.500000 0.333684 Sr\n0.000000 0.000000 0.166610 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.833390 Sr\n0.500000 0.500000 0.666316 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.333380 La\n0.500000 0.500000 0.166744 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.833256 La\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.666620 La\n0.000000 0.500000 0.249935 Mn\n0.500000 0.000000 0.083254 Mn\n0.500000 0.000000 0.249935 Mn\n0.000000 0.500000 0.083254 Mn\n0.500000 0.000000 0.750065 Mn\n0.500000 0.000000 0.916746 Mn\n0.000000 0.500000 0.583300 Mn\n0.000000 0.500000 0.750065 Mn\n0.000000 0.500000 0.916746 Mn\n0.500000 0.000000 0.416700 Mn\n0.500000 0.000000 0.583300 Mn\n0.000000 0.500000 0.416700 Mn\n0.000000 0.500000 0.333362 O\n0.283978 0.716022 0.248050 O\n0.784092 0.784092 0.251850 O\n0.500000 0.000000 0.166639 O\n0.500000 0.000000 0.333362 O\n0.784002 0.215998 0.081042 O\n0.215908 0.215908 0.251850 O\n0.284698 0.284698 0.085515 O\n0.716022 0.283978 0.248050 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.166639 O\n0.284698 0.715302 0.914485 O\n0.715302 0.715302 0.085515 O\n0.784002 0.784002 0.918958 O\n0.215998 0.784002 0.081042 O\n0.500000 0.000000 0.833361 O\n0.500000 0.000000 0.000000 O\n0.784092 0.215908 0.748150 O\n0.215998 0.215998 0.918958 O\n0.283978 0.283978 0.751950 O\n0.715302 0.284698 0.914485 O\n0.000000 0.500000 0.666638 O\n0.000000 0.500000 0.833361 O\n0.273205 0.726795 0.582912 O\n0.716022 0.716022 0.751950 O\n0.788665 0.788665 0.583657 O\n0.215908 0.784092 0.748150 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.666638 O\n0.788665 0.211335 0.416343 O\n0.211335 0.211335 0.583657 O\n0.273205 0.273205 0.417088 O\n0.726795 0.273205 0.582912 O\n0.000000 0.500000 0.500000 O\n0.726795 0.726795 0.417088 O\n0.211335 0.788665 0.416343 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.032490401751054,
"density_atomic": 0.08401636849824211,
"volume": 714.1465534927922,
"volume_molar": 7.1678184473374404,
"formula_full": "Sr6 La6 Mn12 O36",
"formula_reduced": "SrLaMn2O6",
"formula_anonymous": "ABC2D6",
"energy": -493.65531503,
"energy_per_atom": -8.227588583833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.90731503,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 42.0312573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.616000Z",
"spacegroup": 111
},
{
"id": "mp-40761",
"created_at": "2022-09-04T14:48:16.402870Z",
"structure_string": "Sr1 La1 Mn1 Co1 O6\n1.0\n0.000000 3.875640 3.875640\n3.875640 0.000000 3.875640\n3.875640 3.875640 0.000000\nSr La Mn Co O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Co\n0.999034 0.500966 0.500966 O\n0.500966 0.500966 0.999034 O\n0.999034 0.500966 0.999034 O\n0.500966 0.999034 0.500966 O\n0.999034 0.999034 0.500966 O\n0.500966 0.999034 0.999034 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-La-Mn-O-Sr",
"density": 6.223958643676583,
"density_atomic": 0.08588942902785952,
"volume": 116.4287632737243,
"volume_molar": 7.011504009470862,
"formula_full": "Sr1 La1 Mn1 Co1 O6",
"formula_reduced": "SrLaMnCoO6",
"formula_anonymous": "ABCDE6",
"energy": -77.44445824,
"energy_per_atom": -7.7444458240000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.01645824,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.9948905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.555000Z",
"spacegroup": 216
},
{
"id": "mp-684865",
"created_at": "2022-09-04T14:43:12.436783Z",
"structure_string": "Sr4 La4 Mn4 Fe4 O24\n1.0\n11.069629 0.000000 0.000000\n0.000000 5.534504 0.000000\n0.000000 0.061017 7.843016\nSr La Mn Fe O\n4 4 4 4 24\ndirect\n0.379012 0.750000 0.500000 Sr\n0.618779 0.250000 0.000000 Sr\n0.381221 0.750000 0.000000 Sr\n0.620988 0.250000 0.500000 Sr\n0.873483 0.750000 0.500000 La\n0.131285 0.250000 0.000000 La\n0.868715 0.750000 0.000000 La\n0.126517 0.250000 0.500000 La\n0.376634 0.252337 0.750880 Mn\n0.623366 0.747663 0.249120 Mn\n0.376634 0.247663 0.249120 Mn\n0.623366 0.752337 0.750880 Mn\n0.872558 0.247992 0.749183 Fe\n0.127442 0.752008 0.250817 Fe\n0.872558 0.252008 0.250817 Fe\n0.127442 0.747992 0.749183 Fe\n0.508861 0.017109 0.266934 O\n0.385613 0.250000 0.000000 O\n0.508861 0.482891 0.733066 O\n0.762086 0.530539 0.768074 O\n0.491139 0.517109 0.266934 O\n0.649506 0.750000 0.500000 O\n0.614387 0.750000 0.000000 O\n0.762086 0.969461 0.231926 O\n0.491139 0.982891 0.733066 O\n0.011866 0.027707 0.274140 O\n0.743252 0.005883 0.771010 O\n0.899722 0.250000 0.000000 O\n0.856637 0.250000 0.500000 O\n0.011866 0.472293 0.725860 O\n0.743252 0.494117 0.228990 O\n0.256748 0.505883 0.771010 O\n0.988134 0.527707 0.274140 O\n0.143363 0.750000 0.500000 O\n0.100278 0.750000 0.000000 O\n0.256748 0.994117 0.228990 O\n0.988134 0.972293 0.725860 O\n0.237914 0.030539 0.768074 O\n0.350494 0.250000 0.500000 O\n0.237914 0.469461 0.231926 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sr",
"density": 5.989738077512933,
"density_atomic": 0.0832463343527503,
"volume": 480.50163783191823,
"volume_molar": 7.234121246085882,
"formula_full": "Sr4 La4 Mn4 Fe4 O24",
"formula_reduced": "SrLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -322.23552467,
"energy_per_atom": -8.055888116750001,
"energy_above_hull": null,
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"energy_uncorrected": -290.05152467,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.643000Z",
"spacegroup": 13
},
{
"id": "mp-1218252",
"created_at": "2022-09-04T14:39:47.133876Z",
"structure_string": "Sr2 La2 Mn2 Fe2 O12\n1.0\n-5.533511 0.000041 0.000006\n0.000006 -0.002016 -5.550309\n0.000059 -7.792601 -0.003421\nSr La Mn Fe O\n2 2 2 2 12\ndirect\n0.516360 0.498305 0.750237 Sr\n0.983624 0.998251 0.250236 Sr\n0.024397 0.005072 0.750203 La\n0.475583 0.505114 0.250213 La\n0.999200 0.499973 0.000114 Mn\n0.500759 0.999939 0.500034 Mn\n0.502692 0.000280 0.999892 Fe\n0.997268 0.500144 0.500020 Fe\n0.995107 0.565388 0.756225 O\n0.504919 0.065397 0.256237 O\n0.488482 0.950335 0.743662 O\n0.011555 0.450328 0.243648 O\n0.264988 0.273484 0.972094 O\n0.235054 0.773428 0.472148 O\n0.774320 0.216452 0.531772 O\n0.725674 0.716485 0.031717 O\n0.717241 0.726844 0.468303 O\n0.782786 0.226825 0.968247 O\n0.226924 0.763999 0.027465 O\n0.273066 0.263956 0.527529 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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],
"chemical_system": "Fe-La-Mn-O-Sr",
"density": 6.012739631876178,
"density_atomic": 0.08356601362092136,
"volume": 239.3317466443422,
"volume_molar": 7.206447333144432,
"formula_full": "Sr2 La2 Mn2 Fe2 O12",
"formula_reduced": "SrLaMnFeO6",
"formula_anonymous": "ABCDE6",
"energy": -161.71639463000002,
"energy_per_atom": -8.0858197315,
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"updated_at": "2021-11-28T01:34:34.965000Z",
"spacegroup": 7
},
{
"id": "mp-690552",
"created_at": "2022-09-04T14:41:36.403378Z",
"structure_string": "Sr2 La2 Mn2 Mo2 O12\n1.0\n5.695525 -0.000015 0.030615\n-0.000015 5.837986 0.000002\n0.033269 0.000003 8.162340\nSr La Mn Mo O\n2 2 2 2 12\ndirect\n0.993403 0.039290 0.247041 Sr\n0.493419 0.460706 0.747040 Sr\n0.508313 0.550735 0.248702 La\n0.008294 0.949257 0.748702 La\n0.001383 0.496307 0.498337 Mn\n0.501250 0.003712 0.998377 Mn\n0.000197 0.496202 0.999134 Mo\n0.500210 0.003799 0.499133 Mo\n0.101325 0.471243 0.240796 O\n0.601317 0.028753 0.740797 O\n0.223123 0.191095 0.545657 O\n0.723122 0.308896 0.045654 O\n0.189914 0.206632 0.946331 O\n0.689925 0.293370 0.446336 O\n0.291164 0.728197 0.551538 O\n0.791153 0.771802 0.051530 O\n0.269546 0.694935 0.963026 O\n0.769546 0.805065 0.463032 O\n0.421696 0.963879 0.259421 O\n0.921701 0.536124 0.759421 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "La-Mn-Mo-O-Sr",
"density": 5.793023509438512,
"density_atomic": 0.07369330223028007,
"volume": 271.3950846917284,
"volume_molar": 8.17189700792855,
"formula_full": "Sr2 La2 Mn2 Mo2 O12",
"formula_reduced": "SrLaMnMoO6",
"formula_anonymous": "ABCDE6",
"energy": -169.06945382,
"energy_per_atom": -8.453472691,
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"updated_at": "2021-11-28T01:35:29.416000Z",
"spacegroup": 7
},
{
"id": "mp-1218213",
"created_at": "2022-09-04T14:48:20.641888Z",
"structure_string": "Sr4 La4 Mn4 Nb4 O24\n1.0\n-5.724955 5.868652 0.000541\n-5.724909 -5.868607 0.000542\n-5.718699 0.000022 8.149893\nSr La Mn Nb O\n4 4 4 4 24\ndirect\n0.398509 0.858341 0.251120 Sr\n0.898504 0.358350 0.251110 Sr\n0.108351 0.148516 0.751108 Sr\n0.608351 0.648513 0.751108 Sr\n0.091706 0.642757 0.754145 La\n0.591703 0.142754 0.754141 La\n0.392750 0.341712 0.254133 La\n0.892748 0.841699 0.254152 La\n0.501442 0.996097 0.501287 Mn\n0.746093 0.751444 0.001290 Mn\n0.001454 0.496081 0.501311 Mn\n0.246085 0.251441 0.001324 Mn\n0.750278 0.248029 0.000860 Nb\n0.250281 0.748036 0.000859 Nb\n0.498033 0.500273 0.500861 Nb\n0.998026 0.000276 0.500864 Nb\n0.261659 0.988713 0.451242 O\n0.761661 0.488716 0.451240 O\n0.738717 0.511660 0.951241 O\n0.238715 0.011661 0.951243 O\n0.237282 0.528878 0.551629 O\n0.737285 0.028878 0.551626 O\n0.778877 0.987280 0.051628 O\n0.278876 0.487278 0.051627 O\n0.574557 0.764558 0.450243 O\n0.074563 0.264558 0.450243 O\n0.014555 0.324557 0.950241 O\n0.514557 0.824560 0.950242 O\n0.941069 0.740846 0.539428 O\n0.441073 0.240841 0.539432 O\n0.490840 0.191069 0.039433 O\n0.990838 0.691071 0.039436 O\n0.935890 0.902117 0.739281 O\n0.435893 0.402120 0.739281 O\n0.152125 0.685892 0.239281 O\n0.652122 0.185891 0.239280 O\n0.554859 0.582407 0.260756 O\n0.054860 0.082407 0.260760 O\n0.332408 0.804862 0.760757 O\n0.832405 0.304857 0.760760 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Nb",
"O"
],
"chemical_system": "La-Mn-Nb-O-Sr",
"density": 5.70538794896429,
"density_atomic": 0.07304658028472101,
"volume": 547.595792220361,
"volume_molar": 8.244247350836815,
"formula_full": "Sr4 La4 Mn4 Nb4 O24",
"formula_reduced": "SrLaMnNbO6",
"formula_anonymous": "ABCDE6",
"energy": -350.44374216999995,
"energy_per_atom": -8.76109355425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.28374217,
"band_gap": 1.8725,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:02.913000Z",
"spacegroup": 7
},
{
"id": "mp-1218167",
"created_at": "2022-09-04T14:47:21.519059Z",
"structure_string": "Sr1 La1 Mn1 O3\n1.0\n-3.585381 0.000000 -0.006721\n0.000000 -3.960225 0.000000\n-1.780651 -1.980113 6.662381\nSr La Mn O\n1 1 1 3\ndirect\n0.338243 0.354259 0.291483 Sr\n0.626308 0.647719 0.704561 La\n0.978565 0.995826 0.008347 Mn\n0.169511 0.169461 0.661078 O\n0.818864 0.824720 0.350560 O\n0.983508 0.508015 0.983970 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.780319995529296,
"density_atomic": 0.06339413487776487,
"volume": 94.64597965677841,
"volume_molar": 9.499523531020268,
"formula_full": "Sr1 La1 Mn1 O3",
"formula_reduced": "SrLaMnO3",
"formula_anonymous": "ABCD3",
"energy": -47.36857525,
"energy_per_atom": -7.894762541666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.63957525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0971406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.632000Z",
"spacegroup": 8
},
{
"id": "mp-1218183",
"created_at": "2022-09-04T14:46:08.616094Z",
"structure_string": "Sr2 La2 Mn2 O8\n1.0\n-3.889455 3.889458 -0.000032\n-3.904976 -3.904979 -0.000009\n-1.944692 1.944709 6.408152\nSr La Mn O\n2 2 2 8\ndirect\n0.855359 0.500000 0.289291 Sr\n0.644640 0.000001 0.710711 Sr\n0.359645 0.000001 0.280716 La\n0.140358 0.499997 0.719285 La\n0.502903 0.499998 0.994207 Mn\n0.997106 0.999997 0.005774 Mn\n0.177999 0.999999 0.643973 O\n0.665384 0.500001 0.669243 O\n0.322019 0.500001 0.355989 O\n0.834586 0.000001 0.330818 O\n0.250038 0.250039 0.999999 O\n0.749963 0.749963 0.999998 O\n0.749962 0.250041 0.999998 O\n0.250038 0.749960 0.999998 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.893956475351834,
"density_atomic": 0.07192116217798863,
"volume": 194.65758861561721,
"volume_molar": 8.373252847467288,
"formula_full": "Sr2 La2 Mn2 O8",
"formula_reduced": "SrLaMnO4",
"formula_anonymous": "ABCD4",
"energy": -113.47130417,
"energy_per_atom": -8.105093155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.63930417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.999337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.825000Z",
"spacegroup": 63
},
{
"id": "mp-1218156",
"created_at": "2022-09-04T14:39:39.894437Z",
"structure_string": "Sr1 La1 Mn1 O4\n1.0\n3.889727 0.000000 0.000000\n0.000000 3.889727 0.000000\n1.944863 1.944863 6.433409\nSr La Mn O\n1 1 1 4\ndirect\n0.356797 0.356797 0.286405 Sr\n0.643437 0.643437 0.713126 La\n0.997170 0.997170 0.005660 Mn\n0.505573 0.005573 0.988853 O\n0.005573 0.505573 0.988853 O\n0.167807 0.167807 0.664385 O\n0.823642 0.823642 0.352716 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.893439948217952,
"density_atomic": 0.07191485924176565,
"volume": 97.33732463366408,
"volume_molar": 8.373986716367723,
"formula_full": "Sr1 La1 Mn1 O4",
"formula_reduced": "SrLaMnO4",
"formula_anonymous": "ABCD4",
"energy": -56.78065794,
"energy_per_atom": -8.111522562857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.36465794,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.9967825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.874000Z",
"spacegroup": 107
}
]
}