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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10235",
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"results": [
{
"id": "mp-643293",
"created_at": "2022-09-04T14:42:28.270780Z",
"structure_string": "Sr4 Mg4 Ni4 H16\n1.0\n6.920014 0.000000 0.000000\n0.000000 6.920014 0.000000\n0.000000 0.000000 6.920014\nSr Mg Ni H\n4 4 4 16\ndirect\n0.162003 0.662003 0.837997 Sr\n0.662003 0.837997 0.162003 Sr\n0.837997 0.162003 0.662003 Sr\n0.337997 0.337997 0.337997 Sr\n0.848295 0.348295 0.151705 Mg\n0.348295 0.151705 0.848295 Mg\n0.151705 0.848295 0.348295 Mg\n0.651705 0.651705 0.651705 Mg\n0.440494 0.940494 0.559506 Ni\n0.940494 0.559506 0.440494 Ni\n0.559506 0.440494 0.940494 Ni\n0.059506 0.059506 0.059506 Ni\n0.574109 0.074109 0.425891 H\n0.074109 0.425891 0.574109 H\n0.425891 0.574109 0.074109 H\n0.925891 0.925891 0.925891 H\n0.264628 0.955616 0.081374 H\n0.918626 0.764628 0.544384 H\n0.455616 0.418626 0.735372 H\n0.764628 0.544384 0.918626 H\n0.418626 0.735372 0.455616 H\n0.955616 0.081374 0.264628 H\n0.735372 0.455616 0.418626 H\n0.081374 0.264628 0.955616 H\n0.544384 0.918626 0.764628 H\n0.235372 0.044384 0.581374 H\n0.581374 0.235372 0.044384 H\n0.044384 0.581374 0.235372 H\n",
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"density": 3.5007182397913432,
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"volume": 331.37589923286896,
"volume_molar": 7.127115391613975,
"formula_full": "Sr4 Mg4 Ni4 H16",
"formula_reduced": "SrMgNiH4",
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"updated_at": "2021-11-28T01:35:48.764000Z",
"spacegroup": 198
},
{
"id": "mp-1046412",
"created_at": "2022-09-04T14:42:14.705555Z",
"structure_string": "Sr2 Mg2 Ni2 P4 O16\n1.0\n5.402905 -0.006582 -1.065730\n-1.453255 6.303419 -2.440553\n-0.004238 -0.074827 9.297524\nSr Mg Ni P O\n2 2 2 4 16\ndirect\n0.250733 0.802125 0.051697 Sr\n0.749267 0.197875 0.948303 Sr\n0.984829 0.388329 0.655478 Mg\n0.015171 0.611671 0.344522 Mg\n0.640921 0.853322 0.560519 Ni\n0.359079 0.146678 0.439481 Ni\n0.397386 0.425518 0.238786 P\n0.602614 0.574482 0.761214 P\n0.844209 0.026317 0.303753 P\n0.155791 0.973683 0.696247 P\n0.820349 0.547215 0.882323 O\n0.660920 0.472669 0.207172 O\n0.662022 0.800785 0.764103 O\n0.955711 0.117311 0.695757 O\n0.339080 0.527331 0.792828 O\n0.998483 0.745417 0.573896 O\n0.001517 0.254583 0.426104 O\n0.259402 0.994887 0.866330 O\n0.337978 0.199215 0.235897 O\n0.740598 0.005113 0.133670 O\n0.179651 0.452785 0.117677 O\n0.382956 0.592373 0.402884 O\n0.617044 0.407627 0.597116 O\n0.621386 0.954545 0.369522 O\n0.044289 0.882689 0.304243 O\n0.378614 0.045455 0.630478 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mg",
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"O"
],
"chemical_system": "Mg-Ni-O-P-Sr",
"density": 3.7963282482193956,
"density_atomic": 0.08242882562345978,
"volume": 315.42363734222886,
"volume_molar": 7.3058674734849784,
"formula_full": "Sr2 Mg2 Ni2 P4 O16",
"formula_reduced": "SrMgNi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -192.7132985,
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"energy_uncorrected": -176.6392985,
"band_gap": 3.9873,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.270000Z",
"spacegroup": 2
},
{
"id": "mp-1375312",
"created_at": "2022-09-04T14:42:23.659718Z",
"structure_string": "Sr2 Mg2 Ni2 P4 O16\n1.0\n5.507014 0.000000 0.000000\n-0.961013 6.846736 0.000000\n-1.803347 -3.635258 8.365548\nSr Mg Ni P O\n2 2 2 4 16\ndirect\n0.199036 0.750429 0.051697 Sr\n0.800964 0.249571 0.948303 Sr\n0.329351 0.732851 0.655478 Mg\n0.670649 0.267149 0.344522 Mg\n0.080403 0.292803 0.560519 Ni\n0.919597 0.707197 0.439481 Ni\n0.158600 0.186732 0.238786 P\n0.841400 0.813268 0.761214 P\n0.540456 0.722564 0.303753 P\n0.459544 0.277436 0.696247 P\n0.938026 0.664892 0.882323 O\n0.453747 0.265497 0.207172 O\n0.897919 0.036683 0.764103 O\n0.259954 0.421555 0.695757 O\n0.546253 0.734503 0.792828 O\n0.424587 0.171521 0.573896 O\n0.575413 0.828479 0.426104 O\n0.393072 0.128557 0.866330 O\n0.102081 0.963317 0.235897 O\n0.606928 0.871443 0.133670 O\n0.061974 0.335108 0.117677 O\n0.980072 0.189489 0.402884 O\n0.019928 0.810511 0.597116 O\n0.251864 0.585023 0.369522 O\n0.740046 0.578445 0.304243 O\n0.748136 0.414977 0.630478 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mg",
"Ni",
"P",
"O"
],
"chemical_system": "Mg-Ni-O-P-Sr",
"density": 3.796328922162727,
"density_atomic": 0.0824288402566405,
"volume": 315.42358134664437,
"volume_molar": 7.305866176510781,
"formula_full": "Sr2 Mg2 Ni2 P4 O16",
"formula_reduced": "SrMgNi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -97.35685216,
"energy_per_atom": -3.744494313846154,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -81.28285216,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.485000Z",
"spacegroup": 2
},
{
"id": "mp-1218182",
"created_at": "2022-09-04T14:44:42.720799Z",
"structure_string": "Sr1 Mg1 O2\n1.0\n-2.373399 -2.373399 0.000000\n0.000000 2.373399 -2.373399\n2.396713 -4.770114 -2.396713\nSr Mg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.262304 0.737696 0.213087 O\n0.737696 0.262304 0.786913 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"O"
],
"chemical_system": "Mg-O-Sr",
"density": 4.4363063194695584,
"density_atomic": 0.07425057181524031,
"volume": 53.8716389949603,
"volume_molar": 8.110564824988897,
"formula_full": "Sr1 Mg1 O2",
"formula_reduced": "SrMgO2",
"formula_anonymous": "ABC2",
"energy": -24.64833574,
"energy_per_atom": -6.162083935,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.27433574,
"band_gap": 3.4142,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.733000Z",
"spacegroup": 166
},
{
"id": "mp-1218187",
"created_at": "2022-09-04T14:44:22.400102Z",
"structure_string": "Sr1 Mg1 O2\n1.0\n2.956548 0.000000 0.000000\n0.000000 2.969420 2.969420\n0.000000 -2.969420 2.969420\nSr Mg O\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Mg-O-Sr",
"density": 4.583777474155351,
"density_atomic": 0.07671880028576286,
"volume": 52.1384586972263,
"volume_molar": 7.849628432103574,
"formula_full": "Sr1 Mg1 O2",
"formula_reduced": "SrMgO2",
"formula_anonymous": "ABC2",
"energy": -22.17261695,
"energy_per_atom": -5.5431542375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -20.79861695,
"band_gap": 0.7279999999999998,
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"total_magnetization": 0.0002342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.378000Z",
"spacegroup": 123
},
{
"id": "mp-1187182",
"created_at": "2022-09-04T14:45:28.011607Z",
"structure_string": "Sr1 Mg1 O3\n1.0\n4.025570 0.000000 0.000000\n0.000000 4.025570 0.000000\n0.000000 0.000000 4.025570\nSr Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\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": [
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],
"chemical_system": "Mg-O-Sr",
"density": 4.070787384514324,
"density_atomic": 0.07664571069753891,
"volume": 65.23522261710269,
"volume_molar": 7.85711386220256,
"formula_full": "Sr1 Mg1 O3",
"formula_reduced": "SrMgO3",
"formula_anonymous": "ABC3",
"energy": -29.75340738,
"energy_per_atom": -5.950681476,
"energy_above_hull": null,
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"energy_uncorrected": -27.69240738,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:00.208000Z",
"spacegroup": 221
},
{
"id": "mp-18469",
"created_at": "2022-09-04T14:40:38.706409Z",
"structure_string": "Sr4 Mg4 P8 O28\n1.0\n8.390692 0.000000 0.000000\n0.000000 5.373096 0.000000\n0.000000 5.203290 12.938437\nSr Mg P O\n4 4 8 28\ndirect\n0.164301 0.509661 0.777924 Sr\n0.664301 0.490339 0.722076 Sr\n0.835699 0.490339 0.222076 Sr\n0.335699 0.509661 0.277924 Sr\n0.349500 0.214801 0.607338 Mg\n0.150500 0.214801 0.107338 Mg\n0.650500 0.785199 0.392662 Mg\n0.849500 0.785199 0.892662 Mg\n0.965458 0.075833 0.669801 P\n0.201578 0.832583 0.979012 P\n0.534542 0.075833 0.169801 P\n0.034542 0.924167 0.330199 P\n0.798422 0.167417 0.020988 P\n0.298422 0.832583 0.479012 P\n0.701578 0.167417 0.520988 P\n0.465458 0.924167 0.830199 P\n0.095632 0.769495 0.900519 O\n0.595632 0.230505 0.599481 O\n0.904368 0.230505 0.099481 O\n0.404368 0.769495 0.400519 O\n0.170088 0.115537 0.977357 O\n0.670088 0.884463 0.522643 O\n0.829912 0.884463 0.022643 O\n0.329912 0.115537 0.477357 O\n0.195262 0.605982 0.085802 O\n0.695262 0.394018 0.414198 O\n0.804738 0.394018 0.914198 O\n0.304738 0.605982 0.585802 O\n0.384561 0.189529 0.762325 O\n0.884561 0.810471 0.737675 O\n0.615439 0.810471 0.237675 O\n0.115439 0.189529 0.262325 O\n0.114283 0.824154 0.443707 O\n0.614283 0.175846 0.056293 O\n0.885717 0.175846 0.556293 O\n0.385717 0.824154 0.943707 O\n0.859532 0.975643 0.345281 O\n0.359532 0.024357 0.154719 O\n0.140468 0.024357 0.654719 O\n0.640468 0.975643 0.845281 O\n0.061185 0.706718 0.285888 O\n0.561185 0.293282 0.214112 O\n0.938815 0.293282 0.714112 O\n0.438815 0.706718 0.785888 O\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Mg-O-P-Sr",
"density": 3.255149423519479,
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"volume": 583.3164111922382,
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"formula_full": "Sr4 Mg4 P8 O28",
"formula_reduced": "SrMgP2O7",
"formula_anonymous": "ABC2D7",
"energy": -332.36884995,
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"updated_at": "2021-11-28T01:34:58.203000Z",
"spacegroup": 14
},
{
"id": "mp-1020629",
"created_at": "2022-09-04T14:46:58.882059Z",
"structure_string": "Sr4 Mg4 P12 N20 O8\n1.0\n6.662588 0.000000 0.000000\n0.000000 7.022251 0.000000\n0.000000 6.793512 12.403482\nSr Mg P N O\n4 4 12 20 8\ndirect\n0.745245 0.516624 0.609028 Sr\n0.245245 0.483376 0.890972 Sr\n0.254755 0.483376 0.390972 Sr\n0.754755 0.516624 0.109028 Sr\n0.506064 0.980061 0.884758 Mg\n0.006064 0.019939 0.615242 Mg\n0.493936 0.019939 0.115242 Mg\n0.993936 0.980061 0.384758 Mg\n0.016117 0.937252 0.880631 P\n0.516117 0.062748 0.619369 P\n0.983883 0.062748 0.119369 P\n0.483883 0.937252 0.380631 P\n0.276038 0.740292 0.588633 P\n0.776038 0.259708 0.911367 P\n0.723962 0.259708 0.411367 P\n0.223962 0.740292 0.088633 P\n0.757794 0.725287 0.790641 P\n0.257794 0.274713 0.709359 P\n0.242206 0.274713 0.209359 P\n0.742206 0.725287 0.290641 P\n0.310633 0.943201 0.612796 N\n0.810633 0.056799 0.887204 N\n0.689367 0.056799 0.387204 N\n0.189367 0.943201 0.112796 N\n0.705695 0.893476 0.662914 N\n0.205695 0.106524 0.837086 N\n0.294305 0.106524 0.337086 N\n0.794305 0.893476 0.162914 N\n0.974503 0.821887 0.805435 N\n0.474503 0.178113 0.694565 N\n0.025497 0.178113 0.194565 N\n0.525497 0.821887 0.305435 N\n0.798149 0.487916 0.799741 N\n0.298149 0.512084 0.700259 N\n0.201851 0.512084 0.200259 N\n0.701851 0.487916 0.299741 N\n0.579008 0.267958 0.501928 N\n0.079008 0.732042 0.998072 N\n0.420992 0.732042 0.498072 N\n0.920992 0.267958 0.001928 N\n0.050555 0.779278 0.549430 O\n0.550555 0.220722 0.950570 O\n0.949445 0.220722 0.450570 O\n0.449445 0.779278 0.049430 O\n0.588098 0.713836 0.869686 O\n0.088098 0.286164 0.630314 O\n0.411902 0.286164 0.130314 O\n0.911902 0.713836 0.369686 O\n",
"nsites": 48,
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"elements": [
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],
"chemical_system": "Mg-N-O-P-Sr",
"density": 3.5124709862898778,
"density_atomic": 0.08271386405109502,
"volume": 580.3138391690763,
"volume_molar": 7.280690884275373,
"formula_full": "Sr4 Mg4 P12 N20 O8",
"formula_reduced": "SrMgP3N5O2",
"formula_anonymous": "ABC2D3E5",
"energy": -362.53615254,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:49.406000Z",
"spacegroup": 14
},
{
"id": "mp-1103314",
"created_at": "2022-09-04T14:46:23.871032Z",
"structure_string": "Sr4 Mg4 Pb4\n1.0\n0.000000 -5.024909 0.000000\n-8.317016 0.000000 0.000000\n0.000000 0.000000 -9.066083\nSr Mg Pb\n4 4 4\ndirect\n0.750000 0.988871 0.188549 Sr\n0.750000 0.488871 0.311451 Sr\n0.250000 0.011129 0.811451 Sr\n0.250000 0.511129 0.688549 Sr\n0.750000 0.855013 0.566424 Mg\n0.750000 0.355013 0.933576 Mg\n0.250000 0.144987 0.433576 Mg\n0.250000 0.644987 0.066424 Mg\n0.750000 0.222392 0.609046 Pb\n0.750000 0.722392 0.890954 Pb\n0.250000 0.777608 0.390954 Pb\n0.250000 0.277608 0.109046 Pb\n",
"nsites": 12,
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"elements": [
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"Mg",
"Pb"
],
"chemical_system": "Mg-Pb-Sr",
"density": 5.594412527534173,
"density_atomic": 0.0316712946857446,
"volume": 378.89199412492775,
"volume_molar": 19.014507678811732,
"formula_full": "Sr4 Mg4 Pb4",
"formula_reduced": "SrMgPb",
"formula_anonymous": "ABC",
"energy": -33.46517294,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:36.435000Z",
"spacegroup": 62
},
{
"id": "mp-1093825",
"created_at": "2022-09-04T14:39:29.891096Z",
"structure_string": "Sr1 Mg1 Pb2\n1.0\n-6.038349 6.800592 9.616726\n6.038349 -6.800592 9.616726\n6.038349 6.800592 -9.616726\nSr Mg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233524 0.233524 Pb\n0.000000 0.766476 0.766476 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pb-Sr",
"density": 0.5532875938500602,
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"volume": 1579.6183285922234,
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"formula_full": "Sr1 Mg1 Pb2",
"formula_reduced": "SrMgPb2",
"formula_anonymous": "ABC2",
"energy": -5.98385943,
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"band_gap": 0.4216000000000002,
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"total_magnetization": 4.0009535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.811000Z",
"spacegroup": 71
},
{
"id": "mp-1103033",
"created_at": "2022-09-04T14:39:19.088962Z",
"structure_string": "Sr4 Mg4 Pt4\n1.0\n4.467956 0.000000 0.000000\n0.000000 7.622377 0.000000\n0.000000 0.000000 8.640630\nSr Mg Pt\n4 4 4\ndirect\n0.250000 0.026682 0.322208 Sr\n0.250000 0.526682 0.177792 Sr\n0.750000 0.973318 0.677792 Sr\n0.750000 0.473318 0.822208 Sr\n0.250000 0.138363 0.936974 Mg\n0.250000 0.638363 0.563026 Mg\n0.750000 0.861637 0.063026 Mg\n0.750000 0.361637 0.436974 Mg\n0.250000 0.280145 0.617459 Pt\n0.250000 0.780145 0.882541 Pt\n0.750000 0.719855 0.382541 Pt\n0.750000 0.219855 0.117459 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt-Sr",
"density": 6.929716611180065,
"density_atomic": 0.040778995606504824,
"volume": 294.26914080458204,
"volume_molar": 14.767751560412107,
"formula_full": "Sr4 Mg4 Pt4",
"formula_reduced": "SrMgPt",
"formula_anonymous": "ABC",
"energy": -46.53240694,
"energy_per_atom": -3.8777005783333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.53240694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.862000Z",
"spacegroup": 62
},
{
"id": "mp-9566",
"created_at": "2022-09-04T14:44:22.283485Z",
"structure_string": "Sr1 Mg2 Sb2\n1.0\n2.377204 -4.117438 0.000000\n2.377204 4.117438 0.000000\n0.000000 0.000000 7.887666\nSr Mg Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.372265 Mg\n0.333333 0.666667 0.627735 Mg\n0.333333 0.666667 0.256161 Sb\n0.666667 0.333333 0.743839 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb-Sr",
"density": 4.083897669066742,
"density_atomic": 0.03238157553792615,
"volume": 154.40879317758547,
"volume_molar": 18.597429741942946,
"formula_full": "Sr1 Mg2 Sb2",
"formula_reduced": "Sr(MgSb)2",
"formula_anonymous": "AB2C2",
"energy": -17.28900282,
"energy_per_atom": -3.4578005640000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.90500282,
"band_gap": 1.0171,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.22e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.192000Z",
"spacegroup": 164
}
]
}