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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1771",
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"results": [
{
"id": "mp-1094314",
"created_at": "2022-09-04T14:39:22.780193Z",
"structure_string": "Sr5 Mg1\n1.0\n2.138079 -3.703262 0.000000\n2.138079 3.703262 0.000000\n0.000000 0.000000 19.126153\nSr Mg\n5 1\ndirect\n0.333333 0.666667 0.865604 Sr\n0.000000 0.000000 0.681545 Sr\n0.333333 0.666667 0.500000 Sr\n0.000000 0.000000 0.318455 Sr\n0.333333 0.666667 0.134396 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.5351625512449414,
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"volume": 302.87666039959026,
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"formula_full": "Sr5 Mg1",
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"spacegroup": 187
},
{
"id": "mp-1094320",
"created_at": "2022-09-04T14:48:30.160267Z",
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"nsites": 4,
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"elements": [
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"density": 2.3571876364882955,
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"volume": 113.09012270816508,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.659000Z",
"spacegroup": 139
},
{
"id": "mp-1094285",
"created_at": "2022-09-04T14:39:13.574596Z",
"structure_string": "Sr4 Mg2\n1.0\n2.053319 -10.025617 0.000000\n2.053319 10.025617 0.000000\n0.000000 0.000000 6.253262\nSr Mg\n4 2\ndirect\n0.083880 0.916120 0.250000 Sr\n0.789212 0.210788 0.250000 Sr\n0.210788 0.789212 0.750000 Sr\n0.916120 0.083880 0.750000 Sr\n0.439561 0.560439 0.250000 Mg\n0.560439 0.439561 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5740429368288544,
"density_atomic": 0.0233048919690657,
"volume": 257.45667510341787,
"volume_molar": 25.840672284572836,
"formula_full": "Sr4 Mg2",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -9.75875764,
"energy_per_atom": -1.6264596066666668,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -9.75875764,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0027406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.749000Z",
"spacegroup": 63
},
{
"id": "mp-1094293",
"created_at": "2022-09-04T14:45:18.289279Z",
"structure_string": "Sr3 Mg1\n1.0\n-2.764780 2.764780 5.924350\n2.764780 -2.764780 5.924350\n2.764780 2.764780 -5.924350\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.632441606275551,
"density_atomic": 0.02208198617651915,
"volume": 181.14312580511415,
"volume_molar": 27.271735032619645,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.44918061,
"energy_per_atom": -1.6122951525,
"energy_above_hull": null,
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"energy_uncorrected": -6.44918061,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0042142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.361000Z",
"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": [
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],
"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,
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"formation_energy_per_atom": null,
"energy_uncorrected": -9.43086532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.010000Z",
"spacegroup": 5
},
{
"id": "mp-971944",
"created_at": "2022-09-04T14:45:20.342261Z",
"structure_string": "Sr1 Mg3\n1.0\n0.000000 3.847516 3.847516\n3.847516 0.000000 3.847516\n3.847516 3.847516 0.000000\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3401706628219388,
"density_atomic": 0.03511467814197875,
"volume": 113.91247796225979,
"volume_molar": 17.14992441522816,
"formula_full": "Sr1 Mg3",
"formula_reduced": "SrMg3",
"formula_anonymous": "AB3",
"energy": -6.55368117,
"energy_per_atom": -1.6384202925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -6.55368117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.644000Z",
"spacegroup": 225
},
{
"id": "mp-1094297",
"created_at": "2022-09-04T14:45:28.082255Z",
"structure_string": "Sr3 Mg1\n1.0\n-2.158975 3.338585 6.455292\n2.158975 -3.338585 6.455292\n2.158975 3.338585 -6.455292\nSr Mg\n3 1\ndirect\n0.905076 0.500000 0.405076 Sr\n0.233969 0.284785 0.949184 Sr\n0.664399 0.715215 0.949184 Sr\n0.363222 0.000000 0.363222 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.5620916990564546,
"density_atomic": 0.021491862667215793,
"volume": 186.11695328305333,
"volume_molar": 28.02056226232228,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.55519441,
"energy_per_atom": -1.6387986025,
"energy_above_hull": null,
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"energy_uncorrected": -6.55519441,
"band_gap": 0.0,
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"total_magnetization": 0.0117079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.564000Z",
"spacegroup": 44
},
{
"id": "mp-1094301",
"created_at": "2022-09-04T14:45:28.494517Z",
"structure_string": "Sr2 Mg4\n1.0\n6.813098 0.000000 0.000000\n0.000000 6.813098 0.000000\n0.000000 0.000000 6.438142\nSr Mg\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.347678 0.347678 0.000000 Mg\n0.652322 0.652322 0.000000 Mg\n0.152322 0.847678 0.500000 Mg\n0.847678 0.152322 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 1.5139168637143985,
"density_atomic": 0.020077120579996673,
"volume": 298.8476348534733,
"volume_molar": 29.995042048011637,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -6.144665120000001,
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"energy_above_hull": null,
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"energy_uncorrected": -6.144665120000001,
"band_gap": 0.0,
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"total_magnetization": 0.0609111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.528000Z",
"spacegroup": 136
},
{
"id": "mp-1022543",
"created_at": "2022-09-04T14:46:03.597413Z",
"structure_string": "Mg12 Zr2 Sn2\n1.0\n4.986984 0.000000 0.000000\n0.000000 6.540985 0.000000\n0.000000 0.000000 11.102612\nMg Zr Sn\n12 2 2\ndirect\n0.000000 0.245620 0.081169 Mg\n0.000000 0.754380 0.081169 Mg\n0.000000 0.500000 0.834566 Mg\n0.500000 0.251673 0.916992 Mg\n0.500000 0.748327 0.916992 Mg\n0.500000 0.500000 0.666982 Mg\n0.000000 0.745620 0.581169 Mg\n0.000000 0.254380 0.581169 Mg\n0.000000 0.000000 0.334566 Mg\n0.500000 0.751673 0.416992 Mg\n0.500000 0.248327 0.416992 Mg\n0.500000 0.000000 0.166982 Mg\n0.000000 0.500000 0.331240 Zr\n0.000000 0.000000 0.831240 Zr\n0.500000 0.500000 0.170889 Sn\n0.500000 0.000000 0.670889 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zr",
"Sn"
],
"chemical_system": "Mg-Sn-Zr",
"density": 3.262381919980603,
"density_atomic": 0.04417877726086207,
"volume": 362.16484457061654,
"volume_molar": 13.631297952048591,
"formula_full": "Mg12 Zr2 Sn2",
"formula_reduced": "Mg6ZrSn",
"formula_anonymous": "ABC6",
"energy": -44.93204132,
"energy_per_atom": -2.8082525825,
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"updated_at": "2021-11-28T01:37:18.716000Z",
"spacegroup": 38
},
{
"id": "mp-1027921",
"created_at": "2022-09-04T14:41:29.578846Z",
"structure_string": "Mg14 Zr1 Sn1\n1.0\n6.404548 0.054300 0.000000\n-3.155249 5.465051 0.000000\n0.000000 0.000000 10.325617\nMg Zr Sn\n14 1 1\ndirect\n0.166590 0.333294 0.625000 Mg\n0.166400 0.833199 0.625000 Mg\n0.666776 0.331807 0.125000 Mg\n0.666403 0.333388 0.625000 Mg\n0.666776 0.834968 0.125000 Mg\n0.666403 0.833014 0.625000 Mg\n0.333131 0.168634 0.375437 Mg\n0.333131 0.168634 0.874563 Mg\n0.333131 0.664498 0.375437 Mg\n0.333131 0.664498 0.874563 Mg\n0.835536 0.167769 0.374922 Mg\n0.835536 0.167769 0.875078 Mg\n0.832499 0.666250 0.375171 Mg\n0.832499 0.666250 0.874829 Mg\n0.165279 0.332639 0.125000 Zr\n0.166778 0.833388 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sn-Zr",
"density": 2.5156687146678425,
"density_atomic": 0.04405554626427563,
"volume": 363.17788239466915,
"volume_molar": 13.669427054371397,
"formula_full": "Mg14 Zr1 Sn1",
"formula_reduced": "Mg14ZrSn",
"formula_anonymous": "ABC14",
"energy": -35.50874461,
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"updated_at": "2021-11-28T01:35:23.096000Z",
"spacegroup": 38
},
{
"id": "mp-1022531",
"created_at": "2022-09-04T14:47:05.966727Z",
"structure_string": "Mg12 Zr2 Sn2\n1.0\n5.122169 0.000000 0.000000\n0.000000 6.167791 0.000000\n0.000000 0.000000 11.423221\nMg Zr Sn\n12 2 2\ndirect\n0.500000 0.248589 0.418442 Mg\n0.500000 0.751411 0.418442 Mg\n0.000000 0.757642 0.079430 Mg\n0.000000 0.242358 0.079430 Mg\n0.000000 0.000000 0.330734 Mg\n0.000000 0.500000 0.335054 Mg\n0.500000 0.748589 0.918442 Mg\n0.500000 0.251411 0.918442 Mg\n0.000000 0.257642 0.579430 Mg\n0.000000 0.742358 0.579430 Mg\n0.000000 0.500000 0.830734 Mg\n0.000000 0.000000 0.835054 Mg\n0.500000 0.000000 0.171415 Zr\n0.500000 0.500000 0.671415 Zr\n0.500000 0.500000 0.167049 Sn\n0.500000 0.000000 0.667049 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sn-Zr",
"density": 3.273926771517805,
"density_atomic": 0.044335116229469035,
"volume": 360.88774228508703,
"volume_molar": 13.583229891246237,
"formula_full": "Mg12 Zr2 Sn2",
"formula_reduced": "Mg6ZrSn",
"formula_anonymous": "ABC6",
"energy": -45.11540769,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.787000Z",
"spacegroup": 38
},
{
"id": "mp-1027918",
"created_at": "2022-09-04T14:47:27.982875Z",
"structure_string": "Mg14 Zr1 Sn1\n1.0\n6.353021 0.000000 -0.000000\n-3.176510 5.501877 -0.000000\n-0.000000 -0.000000 10.433394\nMg Zr Sn\n14 1 1\ndirect\n0.172451 0.836225 0.125000 Mg\n0.164370 0.832184 0.625000 Mg\n0.663775 0.327549 0.125000 Mg\n0.667816 0.335630 0.625000 Mg\n0.663775 0.836225 0.125000 Mg\n0.667816 0.832184 0.625000 Mg\n0.328880 0.171120 0.371383 Mg\n0.328880 0.171120 0.878617 Mg\n0.328880 0.657761 0.371383 Mg\n0.328880 0.657761 0.878617 Mg\n0.842239 0.171120 0.371383 Mg\n0.842239 0.171120 0.878617 Mg\n0.833333 0.666667 0.367650 Mg\n0.833333 0.666667 0.882350 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zr",
"Sn"
],
"chemical_system": "Mg-Sn-Zr",
"density": 2.505278808166484,
"density_atomic": 0.04387359344835705,
"volume": 364.68405577111804,
"volume_molar": 13.72611697988352,
"formula_full": "Mg14 Zr1 Sn1",
"formula_reduced": "Mg14ZrSn",
"formula_anonymous": "ABC14",
"energy": -35.19632586,
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"updated_at": "2021-11-28T01:38:09.418000Z",
"spacegroup": 187
}
]
}