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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=134",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=132",
"results": [
{
"id": "mp-1094335",
"created_at": "2022-09-04T14:47:30.056967Z",
"structure_string": "Sr4 Mg2\n1.0\n2.088739 -9.851046 0.000000\n2.088739 9.851046 0.000000\n0.000000 0.000000 6.456338\nSr Mg\n4 2\ndirect\n0.632224 0.367776 0.250000 Sr\n0.932393 0.067607 0.250000 Sr\n0.067607 0.932393 0.750000 Sr\n0.367776 0.632224 0.750000 Sr\n0.278097 0.721903 0.250000 Mg\n0.721903 0.278097 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.494233836112143,
"density_atomic": 0.022582315650023155,
"volume": 265.6946299479189,
"volume_molar": 26.667507678707985,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.31332467,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:14.719000Z",
"spacegroup": 63
},
{
"id": "mp-1026569",
"created_at": "2022-09-04T14:43:16.630604Z",
"structure_string": "Ba1 Sr1 Mg14\n1.0\n6.922386 0.000000 -0.000000\n-3.461193 5.994962 0.000000\n0.000000 -0.000000 10.508600\nBa Sr Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Sr\n0.175034 0.837516 0.125000 Mg\n0.179118 0.839559 0.625000 Mg\n0.662484 0.324966 0.125000 Mg\n0.660441 0.320882 0.625000 Mg\n0.662484 0.837516 0.125000 Mg\n0.660441 0.839559 0.625000 Mg\n0.346734 0.153266 0.372192 Mg\n0.346734 0.153266 0.877808 Mg\n0.346734 0.693468 0.372192 Mg\n0.346734 0.693468 0.877808 Mg\n0.806532 0.153266 0.372192 Mg\n0.806532 0.153266 0.877808 Mg\n0.833333 0.666667 0.376223 Mg\n0.833333 0.666667 0.873777 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 2.152173129330843,
"density_atomic": 0.0366887465287108,
"volume": 436.1010258957523,
"volume_molar": 16.41413602202891,
"formula_full": "Ba1 Sr1 Mg14",
"formula_reduced": "BaSrMg14",
"formula_anonymous": "ABC14",
"energy": -24.83609008,
"energy_per_atom": -1.55225563,
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"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.496000Z",
"spacegroup": 187
},
{
"id": "mp-1023499",
"created_at": "2022-09-04T14:42:22.334901Z",
"structure_string": "Na1 Mg15\n1.0\n3.221975 -5.580625 0.000000\n3.221975 5.580625 0.000000\n0.000000 0.000000 10.392458\nNa Mg\n1 15\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.000970 0.500485 0.500000 Mg\n0.999942 0.499971 0.000000 Mg\n0.499515 0.500485 0.500000 Mg\n0.500029 0.499971 0.000000 Mg\n0.499515 0.999030 0.500000 Mg\n0.500029 0.000058 0.000000 Mg\n0.167335 0.334670 0.247426 Mg\n0.167335 0.334670 0.752574 Mg\n0.167335 0.832665 0.247426 Mg\n0.167335 0.832665 0.752574 Mg\n0.665330 0.832665 0.247426 Mg\n0.665330 0.832665 0.752574 Mg\n0.666667 0.333333 0.250230 Mg\n0.666667 0.333333 0.749770 Mg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.7220276034311974,
"density_atomic": 0.042812116873542805,
"volume": 373.72597218820874,
"volume_molar": 14.066440063657739,
"formula_full": "Na1 Mg15",
"formula_reduced": "NaMg15",
"formula_anonymous": "AB15",
"energy": -24.84018488,
"energy_per_atom": -1.552511555,
"energy_above_hull": null,
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"energy_uncorrected": -24.84018488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.791000Z",
"spacegroup": 187
},
{
"id": "mp-1027922",
"created_at": "2022-09-04T14:47:22.067109Z",
"structure_string": "Mg14 Zn1 Cd1\n1.0\n6.290635 -0.014735 0.000000\n-3.158079 5.469952 0.000000\n0.000000 0.000000 10.321864\nMg Zn Cd\n14 1 1\ndirect\n0.167533 0.333766 0.625000 Mg\n0.167932 0.833966 0.625000 Mg\n0.670318 0.335272 0.125000 Mg\n0.666200 0.332487 0.625000 Mg\n0.670318 0.835045 0.125000 Mg\n0.666200 0.833712 0.625000 Mg\n0.330888 0.167834 0.368366 Mg\n0.330888 0.167834 0.881634 Mg\n0.330888 0.663056 0.368366 Mg\n0.330888 0.663056 0.881634 Mg\n0.837206 0.168604 0.371951 Mg\n0.837206 0.168604 0.878049 Mg\n0.834191 0.667096 0.374315 Mg\n0.834191 0.667096 0.875685 Mg\n0.161800 0.330899 0.125000 Zn\n0.163351 0.831675 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 2.425525787000801,
"density_atomic": 0.045109869594476396,
"volume": 354.6895644752466,
"volume_molar": 13.349940521081441,
"formula_full": "Mg14 Zn1 Cd1",
"formula_reduced": "Mg14ZnCd",
"formula_anonymous": "ABC14",
"energy": -24.84021578,
"energy_per_atom": -1.55251348625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -24.84021578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.186000Z",
"spacegroup": 38
},
{
"id": "mp-1094980",
"created_at": "2022-09-04T14:44:26.390152Z",
"structure_string": "Ca1 Zn3\n1.0\n4.334836 0.000000 0.000000\n0.000000 4.334836 0.000000\n0.000000 0.000000 4.334836\nCa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 4.817303339368181,
"density_atomic": 0.04910683870983454,
"volume": 81.45504995007808,
"volume_molar": 12.263344410305029,
"formula_full": "Ca1 Zn3",
"formula_reduced": "CaZn3",
"formula_anonymous": "AB3",
"energy": -6.21088301,
"energy_per_atom": -1.5527207525,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -6.21088301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.726000Z",
"spacegroup": 221
},
{
"id": "mp-1016268",
"created_at": "2022-09-04T14:47:15.877602Z",
"structure_string": "Sr1 Mg7\n1.0\n3.395954 -5.881965 0.000000\n3.395954 5.881965 0.000000\n0.000000 0.000000 5.299683\nSr Mg\n1 7\ndirect\n0.000000 0.000000 0.500000 Sr\n0.007571 0.503785 0.500000 Mg\n0.496215 0.503785 0.500000 Mg\n0.496215 0.992429 0.500000 Mg\n0.174470 0.348939 0.000000 Mg\n0.174470 0.825530 0.000000 Mg\n0.651061 0.825530 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.0215853071687864,
"density_atomic": 0.037785560031271356,
"volume": 211.7210911623169,
"volume_molar": 15.937677660503306,
"formula_full": "Sr1 Mg7",
"formula_reduced": "SrMg7",
"formula_anonymous": "AB7",
"energy": -12.42223191,
"energy_per_atom": -1.55277898875,
"energy_above_hull": null,
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"energy_uncorrected": -12.42223191,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.284000Z",
"spacegroup": 187
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
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"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
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"formula_anonymous": "A",
"energy": -1.55302833,
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"energy_above_hull": null,
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"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"id": "mp-1204948",
"created_at": "2022-09-04T14:45:31.660434Z",
"structure_string": "La22 Hg90\n1.0\n0.000000 11.275194 11.275194\n11.275194 0.000000 11.275194\n11.275194 11.275194 0.000000\nLa Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 La\n0.014988 0.330130 0.639894 La\n0.014988 0.014988 0.639894 La\n0.330130 0.014988 0.639894 La\n0.014988 0.639894 0.330130 La\n0.330130 0.639894 0.014988 La\n0.014988 0.639894 0.014988 La\n0.639894 0.014988 0.014988 La\n0.639894 0.330130 0.014988 La\n0.639894 0.014988 0.330130 La\n0.330130 0.014988 0.014988 La\n0.014988 0.014988 0.330130 La\n0.014988 0.330130 0.014988 La\n0.250000 0.250000 0.250000 La\n0.406158 0.406158 0.781526 La\n0.406158 0.781526 0.406158 La\n0.781526 0.406158 0.406158 La\n0.406158 0.406158 0.406158 La\n0.661640 0.661640 0.015080 La\n0.661640 0.015080 0.661640 La\n0.015080 0.661640 0.661640 La\n0.661640 0.661640 0.661640 La\n0.083093 0.083093 0.750721 Hg\n0.083093 0.750721 0.083093 Hg\n0.750721 0.083093 0.083093 Hg\n0.083093 0.083093 0.083093 Hg\n0.914522 0.914522 0.256434 Hg\n0.914522 0.256434 0.914522 Hg\n0.256434 0.914522 0.914522 Hg\n0.914522 0.914522 0.914522 Hg\n0.154612 0.154612 0.845388 Hg\n0.845388 0.154612 0.845388 Hg\n0.154612 0.845388 0.845388 Hg\n0.845388 0.845388 0.154612 Hg\n0.154612 0.845388 0.154612 Hg\n0.845388 0.154612 0.154612 Hg\n0.391780 0.199660 0.016780 Hg\n0.391780 0.391780 0.016780 Hg\n0.199660 0.391780 0.016780 Hg\n0.391780 0.016780 0.199660 Hg\n0.199660 0.016780 0.391780 Hg\n0.391780 0.016780 0.391780 Hg\n0.016780 0.391780 0.391780 Hg\n0.016780 0.199660 0.391780 Hg\n0.016780 0.391780 0.199660 Hg\n0.199660 0.391780 0.391780 Hg\n0.391780 0.391780 0.199660 Hg\n0.391780 0.199660 0.391780 Hg\n0.162672 0.162672 0.511984 Hg\n0.162672 0.511984 0.162672 Hg\n0.511984 0.162672 0.162672 Hg\n0.162672 0.162672 0.162672 Hg\n0.259181 0.615521 0.866117 Hg\n0.259181 0.259181 0.866117 Hg\n0.615521 0.259181 0.866117 Hg\n0.259181 0.866117 0.615521 Hg\n0.615521 0.866117 0.259181 Hg\n0.259181 0.866117 0.259181 Hg\n0.866117 0.259181 0.259181 Hg\n0.866117 0.615521 0.259181 Hg\n0.866117 0.259181 0.615521 Hg\n0.615521 0.259181 0.259181 Hg\n0.259181 0.259181 0.615521 Hg\n0.259181 0.615521 0.259181 Hg\n0.500000 0.500000 0.500000 Hg\n0.641706 0.450068 0.266519 Hg\n0.641706 0.641706 0.266519 Hg\n0.450068 0.641706 0.266519 Hg\n0.641706 0.266519 0.450068 Hg\n0.450068 0.266519 0.641706 Hg\n0.641706 0.266519 0.641706 Hg\n0.266519 0.641706 0.641706 Hg\n0.266519 0.450068 0.641706 Hg\n0.266519 0.641706 0.450068 Hg\n0.450068 0.641706 0.641706 Hg\n0.641706 0.641706 0.450068 Hg\n0.641706 0.450068 0.641706 Hg\n0.511539 0.836951 0.139971 Hg\n0.511539 0.511539 0.139971 Hg\n0.836951 0.511539 0.139971 Hg\n0.511539 0.139971 0.836951 Hg\n0.836951 0.139971 0.511539 Hg\n0.511539 0.139971 0.511539 Hg\n0.139971 0.511539 0.511539 Hg\n0.139971 0.836951 0.511539 Hg\n0.139971 0.511539 0.836951 Hg\n0.836951 0.511539 0.511539 Hg\n0.511539 0.511539 0.836951 Hg\n0.511539 0.836951 0.511539 Hg\n0.750000 0.750000 0.750000 Hg\n0.828302 0.828302 0.515095 Hg\n0.828302 0.515095 0.828302 Hg\n0.515095 0.828302 0.828302 Hg\n0.828302 0.828302 0.828302 Hg\n0.911386 0.911386 0.588614 Hg\n0.588614 0.911386 0.588614 Hg\n0.911386 0.588614 0.588614 Hg\n0.588614 0.588614 0.911386 Hg\n0.911386 0.588614 0.911386 Hg\n0.588614 0.911386 0.911386 Hg\n0.763940 0.067379 0.404742 Hg\n0.763940 0.763940 0.404742 Hg\n0.067379 0.763940 0.404742 Hg\n0.763940 0.404742 0.067379 Hg\n0.067379 0.404742 0.763940 Hg\n0.763940 0.404742 0.763940 Hg\n0.404742 0.763940 0.763940 Hg\n0.404742 0.067379 0.763940 Hg\n0.404742 0.763940 0.067379 Hg\n0.067379 0.763940 0.763940 Hg\n0.763940 0.763940 0.067379 Hg\n0.763940 0.067379 0.763940 Hg\n",
"nsites": 112,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.226864829722372,
"density_atomic": 0.03906753031891314,
"volume": 2866.8308205235903,
"volume_molar": 15.414695300267283,
"formula_full": "La22 Hg90",
"formula_reduced": "La11Hg45",
"formula_anonymous": "A11B45",
"energy": -174.00544946,
"energy_per_atom": -1.5536200844642856,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.908000Z",
"spacegroup": 216
},
{
"id": "mp-1094332",
"created_at": "2022-09-04T14:40:56.793743Z",
"structure_string": "Sr3 Mg3\n1.0\n2.015298 7.009770 0.000000\n-2.015298 7.009770 0.000000\n0.000000 2.356987 7.983363\nSr Mg\n3 3\ndirect\n0.613418 0.613418 0.232819 Sr\n0.326980 0.326980 0.332837 Sr\n0.953706 0.953706 0.635424 Sr\n0.005790 0.005790 0.001358 Mg\n0.665039 0.665039 0.708480 Mg\n0.268401 0.268401 0.922415 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.471943501678105,
"density_atomic": 0.026600655301348693,
"volume": 225.55835305665536,
"volume_molar": 22.639069195015917,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.32202134,
"energy_per_atom": -1.5536702233333333,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.463000Z",
"spacegroup": 8
},
{
"id": "mp-1093681",
"created_at": "2022-09-04T14:43:45.742749Z",
"structure_string": "Ca1 In1 Ag2\n1.0\n-5.789687 6.618928 9.372994\n5.789687 -6.618928 9.372994\n5.789687 6.618928 -9.372994\nCa In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.254820 0.254820 Ag\n0.000000 0.745180 0.745180 Ag\n",
"nsites": 4,
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"elements": [
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"In",
"Ag"
],
"chemical_system": "Ag-Ca-In",
"density": 0.4283624623884554,
"density_atomic": 0.0027840621010952727,
"volume": 1436.7495604449223,
"volume_molar": 216.30770224668626,
"formula_full": "Ca1 In1 Ag2",
"formula_reduced": "CaInAg2",
"formula_anonymous": "ABC2",
"energy": -6.21533922,
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"updated_at": "2021-11-28T01:36:15.594000Z",
"spacegroup": 71
},
{
"id": "mp-1094355",
"created_at": "2022-09-04T14:39:18.731936Z",
"structure_string": "Sr4 Mg2\n1.0\n2.113863 -3.661317 0.000000\n2.113863 3.661317 0.000000\n0.000000 0.000000 17.598867\nSr Mg\n4 2\ndirect\n0.333333 0.666667 0.796603 Sr\n0.666667 0.333333 0.597310 Sr\n0.333333 0.666667 0.402690 Sr\n0.666667 0.333333 0.203397 Sr\n0.666667 0.333333 0.948060 Mg\n0.333333 0.666667 0.051940 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.4327140822522266,
"density_atomic": 0.0220253275760654,
"volume": 272.413655564429,
"volume_molar": 27.341889645919146,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.32360377,
"energy_per_atom": -1.5539339616666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.32360377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.228000Z",
"spacegroup": 164
},
{
"id": "mp-1435",
"created_at": "2022-09-04T14:48:14.256829Z",
"structure_string": "Sr4 Zn20\n1.0\n5.232011 0.000000 0.000000\n0.000000 6.861537 0.000000\n0.000000 0.000000 13.167220\nSr Zn\n4 20\ndirect\n0.250000 0.646637 0.910507 Sr\n0.250000 0.853363 0.410507 Sr\n0.750000 0.353363 0.089493 Sr\n0.750000 0.146637 0.589493 Sr\n0.250000 0.339123 0.714059 Zn\n0.250000 0.160877 0.214059 Zn\n0.750000 0.660877 0.285941 Zn\n0.750000 0.839123 0.785941 Zn\n0.250000 0.957878 0.705595 Zn\n0.250000 0.542122 0.205595 Zn\n0.750000 0.042122 0.294405 Zn\n0.750000 0.457878 0.794405 Zn\n0.998112 0.152753 0.857111 Zn\n0.501888 0.347247 0.357111 Zn\n0.498112 0.847247 0.142889 Zn\n0.001888 0.652753 0.642889 Zn\n0.001888 0.847247 0.142889 Zn\n0.498112 0.652753 0.642889 Zn\n0.501888 0.152753 0.857111 Zn\n0.998112 0.347247 0.357111 Zn\n0.250000 0.405710 0.521808 Zn\n0.250000 0.094290 0.021808 Zn\n0.750000 0.594290 0.478192 Zn\n0.750000 0.905710 0.978192 Zn\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 5.826695450863321,
"density_atomic": 0.050772329735391204,
"volume": 472.6984191011159,
"volume_molar": 11.861068403568302,
"formula_full": "Sr4 Zn20",
"formula_reduced": "SrZn5",
"formula_anonymous": "AB5",
"energy": -37.29523562,
"energy_per_atom": -1.5539681508333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.29523562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.401000Z",
"spacegroup": 62
}
]
}