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{
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"results": [
{
"id": "mp-1183305",
"created_at": "2022-09-04T14:39:12.395694Z",
"structure_string": "Ba1 Sr1 Hg2\n1.0\n0.000000 4.127551 4.127551\n4.127551 0.000000 4.127551\n4.127551 4.127551 0.000000\nBa Sr Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 7.392718839983788,
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"volume": 140.63950850257658,
"volume_molar": 21.173772915493323,
"formula_full": "Ba1 Sr1 Hg2",
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"updated_at": "2021-11-28T01:34:31.193000Z",
"spacegroup": 225
},
{
"id": "mp-1187079",
"created_at": "2022-09-04T14:45:25.313953Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n0.000000 4.039283 4.039283\n4.039283 0.000000 4.039283\n4.039283 4.039283 0.000000\nSr Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Hg-Sr",
"density": 6.150926011690007,
"density_atomic": 0.030347096830903968,
"volume": 131.80832493758018,
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"formula_full": "Sr2 Cd1 Hg1",
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"updated_at": "2021-11-28T01:36:54.074000Z",
"spacegroup": 225
},
{
"id": "mp-1026611",
"created_at": "2022-09-04T14:42:42.763921Z",
"structure_string": "Cs1 Mg14 B1\n1.0\n6.722581 0.206673 0.000000\n-3.182307 5.511916 0.000000\n0.000000 0.000000 10.369326\nCs Mg B\n1 14 1\ndirect\n0.101425 0.300712 0.125000 Cs\n0.173134 0.336567 0.625000 Mg\n0.161122 0.830560 0.625000 Mg\n0.611509 0.307056 0.125000 Mg\n0.659821 0.336944 0.625000 Mg\n0.611509 0.804451 0.125000 Mg\n0.659821 0.822876 0.625000 Mg\n0.341911 0.156389 0.379390 Mg\n0.341911 0.156389 0.870610 Mg\n0.341911 0.685523 0.379390 Mg\n0.341911 0.685523 0.870610 Mg\n0.817535 0.158768 0.400973 Mg\n0.817535 0.158768 0.849027 Mg\n0.847481 0.673741 0.355311 Mg\n0.847481 0.673741 0.894689 Mg\n0.323985 0.911992 0.125000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"B"
],
"chemical_system": "B-Cs-Mg",
"density": 2.0551911610235045,
"density_atomic": 0.040915692300331444,
"volume": 391.0480087335682,
"volume_molar": 14.718413453195357,
"formula_full": "Cs1 Mg14 B1",
"formula_reduced": "CsMg14B",
"formula_anonymous": "ABC14",
"energy": -25.1229705,
"energy_per_atom": -1.57018565625,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.003000Z",
"spacegroup": 38
},
{
"id": "mp-1028186",
"created_at": "2022-09-04T14:41:17.810704Z",
"structure_string": "Na1 Ca1 Mg14\n1.0\n6.572024 0.012321 0.000000\n-3.275342 5.673058 0.000000\n0.000000 0.000000 10.533550\nNa Ca Mg\n1 1 14\ndirect\n0.169027 0.834513 0.125000 Na\n0.168128 0.334063 0.125000 Ca\n0.166716 0.333357 0.625000 Mg\n0.167601 0.833800 0.625000 Mg\n0.663278 0.327848 0.125000 Mg\n0.666219 0.332744 0.625000 Mg\n0.663278 0.835429 0.125000 Mg\n0.666219 0.833474 0.625000 Mg\n0.338694 0.168855 0.386656 Mg\n0.338694 0.168855 0.863344 Mg\n0.338694 0.669840 0.386656 Mg\n0.338694 0.669840 0.863344 Mg\n0.828444 0.164223 0.380863 Mg\n0.828444 0.164223 0.869137 Mg\n0.828935 0.664468 0.375618 Mg\n0.828935 0.664468 0.874382 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Na",
"density": 1.7035584518446878,
"density_atomic": 0.04069668481285139,
"volume": 393.15241704767675,
"volume_molar": 14.79761997247083,
"formula_full": "Na1 Ca1 Mg14",
"formula_reduced": "NaCaMg14",
"formula_anonymous": "ABC14",
"energy": -25.12558781,
"energy_per_atom": -1.570349238125,
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"energy_uncorrected": -25.12558781,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 6.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.312000Z",
"spacegroup": 38
},
{
"id": "mp-1096395",
"created_at": "2022-09-04T14:39:11.549028Z",
"structure_string": "Li1 Mg1 Pb2\n1.0\n-5.603100 6.099543 8.680429\n5.603100 -6.099543 8.680429\n5.603100 6.099543 -8.680429\nLi Mg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.247882 0.247882 Pb\n0.000000 0.752118 0.752118 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Pb"
],
"chemical_system": "Li-Mg-Pb",
"density": 0.6236088342107752,
"density_atomic": 0.003370801201038132,
"volume": 1186.6614972037178,
"volume_molar": 178.65606426582838,
"formula_full": "Li1 Mg1 Pb2",
"formula_reduced": "LiMgPb2",
"formula_anonymous": "ABC2",
"energy": -6.28312831,
"energy_per_atom": -1.5707820775,
"energy_above_hull": null,
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"energy_uncorrected": -6.28312831,
"band_gap": 0.3953000000000002,
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"is_magnetic": true,
"total_magnetization": 3.0010834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.860000Z",
"spacegroup": 71
},
{
"id": "mp-1056351",
"created_at": "2022-09-04T14:46:26.270611Z",
"structure_string": "Mg1\n1.0\n-1.825264 1.825264 1.700467\n1.825264 -1.825264 1.700467\n1.825264 1.825264 -1.700467\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7810050334772547,
"density_atomic": 0.04412862789374627,
"volume": 22.661026361567792,
"volume_molar": 13.646789051543191,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57155674,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -1.57155674,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.002651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.534000Z",
"spacegroup": 139
},
{
"id": "mp-1094306",
"created_at": "2022-09-04T14:45:20.429490Z",
"structure_string": "Sr3 Mg3\n1.0\n3.226013 5.644141 0.000000\n-3.226013 5.644141 0.000000\n0.000000 3.078534 6.196996\nSr Mg\n3 3\ndirect\n0.360614 0.639386 0.000000 Sr\n0.829714 0.849294 0.489257 Sr\n0.150706 0.170286 0.510743 Sr\n0.997924 0.339925 0.004649 Mg\n0.660075 0.002076 0.995351 Mg\n0.500966 0.499034 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4707128614699063,
"density_atomic": 0.026587412346582115,
"volume": 225.6707016759123,
"volume_molar": 22.650345515005196,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.43086532,
"energy_per_atom": -1.5718108866666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.43086532,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.010000Z",
"spacegroup": 5
},
{
"id": "mp-976114",
"created_at": "2022-09-04T14:41:45.664661Z",
"structure_string": "Li2 Cd1 Hg1\n1.0\n0.000000 3.331948 3.331948\n3.331948 0.000000 3.331948\n3.331948 3.331948 0.000000\nLi Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Li",
"density": 7.336970821998791,
"density_atomic": 0.05406738320115608,
"volume": 73.9817568961701,
"volume_molar": 11.138213842520926,
"formula_full": "Li2 Cd1 Hg1",
"formula_reduced": "Li2CdHg",
"formula_anonymous": "ABC2",
"energy": -6.28907331,
"energy_per_atom": -1.5722683275,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.28907331,
"band_gap": 0.0,
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"total_magnetization": 0.0014218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.394000Z",
"spacegroup": 225
},
{
"id": "mp-978251",
"created_at": "2022-09-04T14:42:47.825737Z",
"structure_string": "Cs1 Mg149\n1.0\n13.813389 -7.975168 0.000000\n0.000000 15.950335 0.000000\n0.000000 0.000000 15.794103\nCs Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Cs\n0.600398 0.200796 0.000000 Mg\n0.402296 0.201148 0.000000 Mg\n0.798852 0.201149 0.000000 Mg\n0.001996 0.213769 0.000000 Mg\n0.211773 0.213769 0.000000 Mg\n0.600398 0.399601 0.000000 Mg\n0.799204 0.399601 0.000000 Mg\n0.403063 0.403767 0.000000 Mg\n0.000703 0.403767 0.000000 Mg\n0.201962 0.403922 0.000000 Mg\n0.596233 0.596937 0.000000 Mg\n0.000703 0.596937 0.000000 Mg\n0.798852 0.597703 0.000000 Mg\n0.201121 0.600560 0.000000 Mg\n0.399440 0.600560 0.000000 Mg\n0.001996 0.788227 0.000000 Mg\n0.786231 0.788227 0.000000 Mg\n0.596078 0.798038 0.000000 Mg\n0.201962 0.798039 0.000000 Mg\n0.399440 0.798879 0.000000 Mg\n0.211773 0.998004 0.000000 Mg\n0.786231 0.998004 0.000000 Mg\n0.403063 0.999297 0.000000 Mg\n0.596233 0.999297 0.000000 Mg\n0.262819 0.131410 0.165114 Mg\n0.868590 0.131410 0.165114 Mg\n0.868590 0.737181 0.165114 Mg\n0.666666 0.333333 0.166190 Mg\n0.465509 0.132801 0.166366 Mg\n0.667291 0.132801 0.166366 Mg\n0.465509 0.332709 0.166366 Mg\n0.867199 0.332709 0.166366 Mg\n0.867199 0.534490 0.166366 Mg\n0.667291 0.534490 0.166366 Mg\n0.267108 0.534215 0.167237 Mg\n0.465784 0.732892 0.167237 Mg\n0.267108 0.732892 0.167237 Mg\n0.466548 0.533451 0.167962 Mg\n0.066903 0.533451 0.167962 Mg\n0.466548 0.933097 0.167962 Mg\n0.268865 0.336566 0.168102 Mg\n0.067701 0.336567 0.168102 Mg\n0.663434 0.731134 0.168102 Mg\n0.067701 0.731134 0.168102 Mg\n0.268865 0.932299 0.168102 Mg\n0.663434 0.932299 0.168102 Mg\n0.071126 0.142251 0.177182 Mg\n0.857749 0.928874 0.177182 Mg\n0.071126 0.928874 0.177182 Mg\n0.399909 0.199954 0.332523 Mg\n0.800046 0.199955 0.332523 Mg\n0.800046 0.600092 0.332523 Mg\n0.600047 0.200094 0.333046 Mg\n0.799905 0.399953 0.333046 Mg\n0.600047 0.399953 0.333046 Mg\n0.199801 0.599900 0.333766 Mg\n0.400100 0.599900 0.333766 Mg\n0.400100 0.800199 0.333766 Mg\n0.199927 0.399854 0.333705 Mg\n0.600146 0.800073 0.333705 Mg\n0.199927 0.800073 0.333705 Mg\n0.400832 0.000250 0.333901 Mg\n0.599417 0.000250 0.333901 Mg\n0.400832 0.400583 0.333901 Mg\n0.999749 0.400583 0.333901 Mg\n0.999749 0.599167 0.333901 Mg\n0.599417 0.599167 0.333901 Mg\n0.000000 0.000000 0.333932 Mg\n0.202151 0.000792 0.335949 Mg\n0.798642 0.000792 0.335949 Mg\n0.202151 0.201358 0.335949 Mg\n0.999208 0.201358 0.335949 Mg\n0.798642 0.797849 0.335949 Mg\n0.999208 0.797849 0.335949 Mg\n0.066744 0.133488 0.500000 Mg\n0.866214 0.133786 0.500000 Mg\n0.267572 0.133786 0.500000 Mg\n0.467054 0.134063 0.500000 Mg\n0.667009 0.134064 0.500000 Mg\n0.467054 0.332990 0.500000 Mg\n0.865937 0.332991 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.067111 0.334219 0.500000 Mg\n0.267108 0.334219 0.500000 Mg\n0.865937 0.532946 0.500000 Mg\n0.667009 0.532946 0.500000 Mg\n0.066792 0.533396 0.500000 Mg\n0.466604 0.533396 0.500000 Mg\n0.266933 0.533867 0.500000 Mg\n0.866214 0.732428 0.500000 Mg\n0.067111 0.732892 0.500000 Mg\n0.665781 0.732892 0.500000 Mg\n0.466133 0.733067 0.500000 Mg\n0.266933 0.733067 0.500000 Mg\n0.267108 0.932889 0.500000 Mg\n0.665781 0.932889 0.500000 Mg\n0.466604 0.933207 0.500000 Mg\n0.866512 0.933256 0.500000 Mg\n0.066744 0.933257 0.500000 Mg\n0.202151 0.000792 0.664051 Mg\n0.798642 0.000792 0.664051 Mg\n0.202151 0.201358 0.664051 Mg\n0.999208 0.201358 0.664051 Mg\n0.798642 0.797849 0.664051 Mg\n0.999208 0.797849 0.664051 Mg\n0.000000 0.000000 0.666068 Mg\n0.400832 0.000250 0.666099 Mg\n0.599417 0.000250 0.666099 Mg\n0.400832 0.400583 0.666099 Mg\n0.999749 0.400583 0.666099 Mg\n0.999749 0.599167 0.666099 Mg\n0.599417 0.599167 0.666099 Mg\n0.199927 0.399854 0.666295 Mg\n0.600146 0.800073 0.666295 Mg\n0.199927 0.800073 0.666295 Mg\n0.199801 0.599900 0.666233 Mg\n0.400100 0.599900 0.666233 Mg\n0.400100 0.800199 0.666233 Mg\n0.600047 0.200094 0.666954 Mg\n0.799905 0.399953 0.666954 Mg\n0.600047 0.399953 0.666954 Mg\n0.399909 0.199954 0.667477 Mg\n0.800046 0.199955 0.667477 Mg\n0.800046 0.600092 0.667477 Mg\n0.071126 0.142251 0.822818 Mg\n0.857749 0.928874 0.822818 Mg\n0.071126 0.928874 0.822818 Mg\n0.268865 0.336566 0.831898 Mg\n0.067701 0.336567 0.831898 Mg\n0.663434 0.731134 0.831898 Mg\n0.067701 0.731134 0.831898 Mg\n0.268865 0.932299 0.831898 Mg\n0.663434 0.932299 0.831898 Mg\n0.466548 0.533451 0.832038 Mg\n0.066903 0.533451 0.832038 Mg\n0.466548 0.933097 0.832038 Mg\n0.267108 0.534215 0.832763 Mg\n0.465784 0.732892 0.832763 Mg\n0.267108 0.732892 0.832763 Mg\n0.465509 0.132801 0.833634 Mg\n0.667291 0.132801 0.833634 Mg\n0.465509 0.332709 0.833634 Mg\n0.867199 0.332709 0.833634 Mg\n0.867199 0.534490 0.833634 Mg\n0.667291 0.534490 0.833634 Mg\n0.666666 0.333333 0.833811 Mg\n0.262819 0.131410 0.834886 Mg\n0.868590 0.131410 0.834886 Mg\n0.868590 0.737181 0.834886 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Cs",
"Mg"
],
"chemical_system": "Cs-Mg",
"density": 1.791508570548392,
"density_atomic": 0.04310486032087338,
"volume": 3479.886000868515,
"volume_molar": 13.970908883989122,
"formula_full": "Cs1 Mg149",
"formula_reduced": "CsMg149",
"formula_anonymous": "AB149",
"energy": -235.92929999,
"energy_per_atom": -1.5728619999333333,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:53.411000Z",
"spacegroup": 187
},
{
"id": "mp-1187899",
"created_at": "2022-09-04T14:40:05.206253Z",
"structure_string": "Yb4 Mg2\n1.0\n1.859061 -9.328326 0.000000\n1.859061 9.328326 0.000000\n0.000000 0.000000 5.915863\nYb Mg\n4 2\ndirect\n0.592722 0.407278 0.750000 Yb\n0.281169 0.718831 0.750000 Yb\n0.407278 0.592722 0.250000 Yb\n0.718831 0.281169 0.250000 Yb\n0.938477 0.061523 0.750000 Mg\n0.061523 0.938477 0.250000 Mg\n",
"nsites": 6,
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"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.994970139924414,
"density_atomic": 0.029241913722557328,
"volume": 205.1849293082202,
"volume_molar": 20.594208768745858,
"formula_full": "Yb4 Mg2",
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"energy": -9.4386064,
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"updated_at": "2021-11-28T01:34:47.033000Z",
"spacegroup": 63
},
{
"id": "mp-1094434",
"created_at": "2022-09-04T14:47:12.193125Z",
"structure_string": "Mg5 Zn1\n1.0\n1.577037 -8.066753 0.000000\n1.577037 8.066753 0.000000\n0.000000 0.000000 5.026602\nMg Zn\n5 1\ndirect\n0.000523 0.999477 0.500000 Mg\n0.329422 0.670578 0.500000 Mg\n0.669610 0.330390 0.500000 Mg\n0.438869 0.561131 0.000000 Mg\n0.117509 0.882491 0.000000 Mg\n0.777399 0.222601 0.000000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.4271256457495007,
"density_atomic": 0.046914394233132116,
"volume": 127.89251780986761,
"volume_molar": 12.836445740030495,
"formula_full": "Mg5 Zn1",
"formula_reduced": "Mg5Zn",
"formula_anonymous": "AB5",
"energy": -9.43918091,
"energy_per_atom": -1.5731968183333331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.43918091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.862000Z",
"spacegroup": 38
},
{
"id": "mp-1094296",
"created_at": "2022-09-04T14:39:36.561377Z",
"structure_string": "Sr4 Mg2\n1.0\n2.127957 7.241436 0.000000\n-2.127957 7.241436 0.000000\n0.000000 1.727970 8.594807\nSr Mg\n4 2\ndirect\n0.006663 0.006663 0.028657 Sr\n0.335542 0.335542 0.366306 Sr\n0.633465 0.633465 0.655560 Sr\n0.290297 0.290297 0.914801 Sr\n0.622986 0.622986 0.257066 Mg\n0.944380 0.944380 0.610944 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5018788407813064,
"density_atomic": 0.022651532058719642,
"volume": 264.8827454340033,
"volume_molar": 26.586019631646924,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.44241704,
"energy_per_atom": -1.5737361733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.44241704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1821664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.900000Z",
"spacegroup": 8
}
]
}