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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10191",
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"results": [
{
"id": "mp-15642",
"created_at": "2022-09-04T14:42:09.120264Z",
"structure_string": "Sr4 Mg4 Si4\n1.0\n4.596335 0.000000 0.000000\n0.000000 7.822788 0.000000\n0.000000 0.000000 8.530591\nSr Mg Si\n4 4 4\ndirect\n0.250000 0.014974 0.183462 Sr\n0.250000 0.514974 0.316538 Sr\n0.750000 0.485026 0.683462 Sr\n0.750000 0.985026 0.816538 Sr\n0.750000 0.356875 0.063746 Mg\n0.250000 0.643125 0.936254 Mg\n0.750000 0.856875 0.436254 Mg\n0.250000 0.143125 0.563746 Mg\n0.750000 0.218745 0.390490 Si\n0.250000 0.281255 0.890490 Si\n0.250000 0.781255 0.609510 Si\n0.750000 0.718745 0.109510 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 3.0319172219731576,
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"volume": 306.72724611247,
"volume_molar": 15.392955425137144,
"formula_full": "Sr4 Mg4 Si4",
"formula_reduced": "SrMgSi",
"formula_anonymous": "ABC",
"energy": -39.29526492,
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"updated_at": "2021-11-28T01:35:44.191000Z",
"spacegroup": 62
},
{
"id": "mp-30780",
"created_at": "2022-09-04T14:40:32.816395Z",
"structure_string": "Sr4 Mg4 Sn4\n1.0\n4.902729 0.000000 0.000000\n0.000000 8.235271 0.000000\n0.000000 0.000000 8.941866\nSr Mg Sn\n4 4 4\ndirect\n0.750000 0.988737 0.811786 Sr\n0.250000 0.511263 0.311786 Sr\n0.250000 0.011263 0.188214 Sr\n0.750000 0.488737 0.688214 Sr\n0.750000 0.353557 0.066910 Mg\n0.250000 0.646443 0.933090 Mg\n0.750000 0.853557 0.433090 Mg\n0.250000 0.146443 0.566910 Mg\n0.250000 0.777497 0.608365 Sn\n0.250000 0.277497 0.891635 Sn\n0.750000 0.722503 0.108365 Sn\n0.750000 0.222503 0.391635 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 4.243169321365696,
"density_atomic": 0.03323818535427206,
"volume": 361.0305397872046,
"volume_molar": 18.11813941047772,
"formula_full": "Sr4 Mg4 Sn4",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy": -35.95294027,
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"energy_above_hull": null,
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"energy_uncorrected": -35.95294027,
"band_gap": 0.0,
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"total_magnetization": 0.0007413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.458000Z",
"spacegroup": 62
},
{
"id": "mp-707440",
"created_at": "2022-09-04T14:47:14.930154Z",
"structure_string": "Sr4 Mg6 H20\n1.0\n2.850584 8.765830 0.000000\n-2.850584 8.765830 0.000000\n0.000000 2.708233 6.977863\nSr Mg H\n4 6 20\ndirect\n0.281019 0.281019 0.311183 Sr\n0.718981 0.718981 0.688817 Sr\n0.383266 0.383266 0.720749 Sr\n0.616734 0.616734 0.279251 Sr\n0.075446 0.075446 0.553586 Mg\n0.924554 0.924554 0.446414 Mg\n0.173979 0.173979 0.981890 Mg\n0.826021 0.826021 0.018110 Mg\n0.742255 0.257745 0.000000 Mg\n0.257745 0.742255 0.000000 Mg\n0.840387 0.385872 0.974243 H\n0.385872 0.840387 0.974243 H\n0.159613 0.614128 0.025757 H\n0.614128 0.159613 0.025757 H\n0.908795 0.399623 0.515944 H\n0.399623 0.908795 0.515944 H\n0.091205 0.600377 0.484056 H\n0.600377 0.091205 0.484056 H\n0.021654 0.021654 0.822838 H\n0.978346 0.978346 0.177162 H\n0.135740 0.135740 0.258071 H\n0.864260 0.864260 0.741929 H\n0.237115 0.237115 0.714599 H\n0.762885 0.762885 0.285401 H\n0.516394 0.516394 0.810885 H\n0.483606 0.483606 0.189115 H\n0.769006 0.230994 0.500000 H\n0.230994 0.769006 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"H"
],
"chemical_system": "H-Mg-Sr",
"density": 2.4593133487398435,
"density_atomic": 0.08602841738461128,
"volume": 348.72197945799223,
"volume_molar": 7.00017615467286,
"formula_full": "Sr4 Mg6 H20",
"formula_reduced": "Sr2Mg3H10",
"formula_anonymous": "A2B3C10",
"energy": -97.83993916,
"energy_per_atom": -3.2613313053333335,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -94.25993916,
"band_gap": 2.8642000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00205,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.504000Z",
"spacegroup": 12
},
{
"id": "mp-2572",
"created_at": "2022-09-04T14:48:06.953034Z",
"structure_string": "Sr4 Mg8\n1.0\n3.238183 -5.608698 0.000000\n3.238183 5.608698 0.000000\n0.000000 0.000000 10.364790\nSr Mg\n4 8\ndirect\n0.333333 0.666667 0.939493 Sr\n0.333333 0.666667 0.560507 Sr\n0.666667 0.333333 0.060507 Sr\n0.666667 0.333333 0.439493 Sr\n0.834107 0.165893 0.750000 Mg\n0.668214 0.834107 0.250000 Mg\n0.331786 0.165893 0.750000 Mg\n0.834107 0.668214 0.750000 Mg\n0.165893 0.331786 0.250000 Mg\n0.165893 0.834107 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.403410188410505,
"density_atomic": 0.03187331967326133,
"volume": 376.4904353551492,
"volume_molar": 18.893986637519905,
"formula_full": "Sr4 Mg8",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -20.52155117,
"energy_per_atom": -1.7101292641666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -20.52155117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1077456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.452000Z",
"spacegroup": 194
},
{
"id": "mp-1218407",
"created_at": "2022-09-04T14:47:59.169158Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n3.926943 0.000000 0.000000\n0.000000 3.926943 0.000000\n0.000000 0.000000 12.680844\nSr Mn Ru O\n4 1 1 8\ndirect\n0.500000 0.500000 0.137708 Sr\n0.000000 0.000000 0.652078 Sr\n0.000000 0.000000 0.347922 Sr\n0.500000 0.500000 0.862292 Sr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.338886 O\n0.000000 0.000000 0.841903 O\n0.000000 0.000000 0.158097 O\n0.500000 0.500000 0.661114 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.387805392783498,
"density_atomic": 0.07159301970796535,
"volume": 195.54979042799584,
"volume_molar": 8.411631168184941,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy": -101.12684975,
"energy_per_atom": -7.223346410714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -93.96284975,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.0146498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.351000Z",
"spacegroup": 123
},
{
"id": "mp-1218516",
"created_at": "2022-09-04T14:40:15.880541Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n2.828373 -6.244336 0.000000\n2.828373 6.244336 0.000000\n0.000000 0.000000 5.656334\nSr Mn Ru O\n4 1 1 8\ndirect\n0.642358 0.357642 0.000000 Sr\n0.144476 0.855524 0.500000 Sr\n0.855524 0.144476 0.500000 Sr\n0.357642 0.642358 0.000000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.754804 0.754804 0.754794 O\n0.245196 0.245196 0.245206 O\n0.245196 0.245196 0.754794 O\n0.754804 0.754804 0.245206 O\n0.838286 0.161714 0.000000 O\n0.342591 0.657409 0.500000 O\n0.657409 0.342591 0.500000 O\n0.161714 0.838286 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ru",
"O"
],
"chemical_system": "Mn-O-Ru-Sr",
"density": 5.273285281907814,
"density_atomic": 0.07007127941536628,
"volume": 199.796551694329,
"volume_molar": 8.594306840470468,
"formula_full": "Sr4 Mn1 Ru1 O8",
"formula_reduced": "Sr4MnRuO8",
"formula_anonymous": "ABC4D8",
"energy": -101.3476013,
"energy_per_atom": -7.239114378571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -94.1836013,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9862755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.206000Z",
"spacegroup": 65
},
{
"id": "mp-1042903",
"created_at": "2022-09-04T14:47:18.648227Z",
"structure_string": "Sr4 Mn2 Al2 Cu4 O14\n1.0\n5.191005 0.002093 -1.192023\n-0.278221 5.174329 -1.204234\n0.100411 0.129587 12.261507\nSr Mn Al Cu O\n4 2 2 4 14\ndirect\n0.327557 0.340549 0.702682 Sr\n0.630517 0.650005 0.295646 Sr\n0.827882 0.855258 0.702940 Sr\n0.130934 0.139510 0.295913 Sr\n0.265667 0.690841 0.499310 Mn\n0.766332 0.305274 0.499293 Mn\n0.984469 0.010992 0.999262 Al\n0.483267 0.494835 0.999133 Al\n0.918442 0.445032 0.882702 Cu\n0.044366 0.560631 0.115340 Cu\n0.419710 0.938661 0.883190 Cu\n0.544244 0.057216 0.115670 Cu\n0.127833 0.337303 0.499181 O\n0.627301 0.658553 0.499280 O\n0.244447 0.266186 0.894447 O\n0.364275 0.729414 0.106875 O\n0.744550 0.125165 0.891536 O\n0.862297 0.877187 0.104534 O\n0.595978 0.618451 0.889137 O\n0.718838 0.375490 0.106341 O\n0.099833 0.771561 0.891942 O\n0.218374 0.233804 0.109402 O\n0.299265 0.837738 0.657559 O\n0.645450 0.158970 0.340621 O\n0.801343 0.316759 0.657768 O\n0.144296 0.680205 0.340902 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-Mn-O-Sr",
"density": 4.981747359945395,
"density_atomic": 0.07859188840977163,
"volume": 330.82294529478844,
"volume_molar": 7.662547473857677,
"formula_full": "Sr4 Mn2 Al2 Cu4 O14",
"formula_reduced": "Sr2MnAlCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -176.75434209,
"energy_per_atom": -6.798243926538461,
"energy_above_hull": null,
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"energy_uncorrected": -163.80034209,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.501000Z",
"spacegroup": 9
},
{
"id": "mp-1262567",
"created_at": "2022-09-04T14:41:18.770490Z",
"structure_string": "Sr4 Mn2 Al2 Cu4 O14\n1.0\n5.194195 0.001974 -1.195034\n-0.278066 5.174906 -1.205333\n0.096070 0.129476 12.273299\nSr Mn Al Cu O\n4 2 2 4 14\ndirect\n0.334067 0.343456 0.703139 Sr\n0.630825 0.654194 0.295470 Sr\n0.834374 0.857493 0.703140 Sr\n0.131093 0.140030 0.295432 Sr\n0.270646 0.687600 0.499095 Mn\n0.770757 0.309799 0.499171 Mn\n0.977722 0.999942 0.999086 Al\n0.476637 0.498945 0.999162 Al\n0.919489 0.441027 0.882366 Cu\n0.037126 0.557595 0.116328 Cu\n0.419821 0.939265 0.882522 Cu\n0.537232 0.058662 0.116007 Cu\n0.134820 0.331580 0.499118 O\n0.635049 0.666021 0.499201 O\n0.246557 0.266774 0.891483 O\n0.355044 0.731913 0.107760 O\n0.745956 0.122282 0.891129 O\n0.855003 0.876502 0.107228 O\n0.600957 0.622190 0.891876 O\n0.709217 0.376059 0.106644 O\n0.101558 0.768061 0.892212 O\n0.209924 0.230357 0.106805 O\n0.304304 0.833836 0.657733 O\n0.646703 0.164452 0.340192 O\n0.805770 0.323230 0.657982 O\n0.146815 0.674325 0.340328 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"Mn",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-Mn-O-Sr",
"density": 4.973762522140746,
"density_atomic": 0.07846591986171585,
"volume": 331.3540457541441,
"volume_molar": 7.674848865103601,
"formula_full": "Sr4 Mn2 Al2 Cu4 O14",
"formula_reduced": "Sr2MnAlCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -176.77190584000002,
"energy_per_atom": -6.798919455384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -163.81790584,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.9985186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.688000Z",
"spacegroup": 46
},
{
"id": "mp-542187",
"created_at": "2022-09-04T14:42:08.572330Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.921261 -0.000314 0.000001\n-0.000314 3.921141 -0.000001\n0.000004 -0.000004 14.878096\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250001 0.250002 0.090632 Sr\n0.750000 0.750001 0.909372 Sr\n0.250001 0.250001 0.341756 Sr\n0.750001 0.750001 0.658248 Sr\n0.749999 0.750000 0.210417 Mn\n0.249991 0.249992 0.789564 Mn\n0.750001 0.750001 0.422602 Cl\n0.250002 0.250000 0.577402 Cl\n0.750001 0.250000 0.230963 O\n0.250001 0.750001 0.230964 O\n0.250001 0.749998 0.769040 O\n0.749999 0.250001 0.769039 O\n0.750002 0.750001 0.074064 O\n0.250000 0.250001 0.925938 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.553130336965837,
"density_atomic": 0.06119873884247335,
"volume": 228.7628840855079,
"volume_molar": 9.840302061617804,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy": -96.73585376,
"energy_per_atom": -6.90970384,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:44.727000Z",
"spacegroup": 129
},
{
"id": "mp-1218765",
"created_at": "2022-09-04T14:44:41.357966Z",
"structure_string": "Sr4 Mn2 Cr2 O12\n1.0\n-2.749081 4.765535 -0.002657\n-5.458900 -3.155594 2.276968\n-0.037176 -0.025314 6.703238\nSr Mn Cr O\n4 2 2 12\ndirect\n0.999822 0.001362 0.998343 Sr\n0.999810 0.498271 0.501417 Sr\n0.500439 0.250319 0.249775 Sr\n0.500322 0.749668 0.750278 Sr\n0.497929 0.749878 0.249848 Mn\n0.502163 0.249692 0.749889 Mn\n0.000922 0.500843 0.000933 Cr\n0.000819 0.998679 0.498844 Cr\n0.999775 0.250063 0.250073 O\n0.999997 0.749950 0.749889 O\n0.501227 0.999917 0.000172 O\n0.501163 0.500223 0.499864 O\n0.741826 0.374449 0.874426 O\n0.754194 0.875079 0.375112 O\n0.257366 0.626299 0.126230 O\n0.244049 0.125337 0.625423 O\n0.753929 0.624961 0.124874 O\n0.742577 0.126306 0.625834 O\n0.244590 0.375020 0.875024 O\n0.257080 0.873684 0.373753 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Sr",
"density": 5.414197036562274,
"density_atomic": 0.08621786413275653,
"volume": 231.9704878005839,
"volume_molar": 6.984794648504896,
"formula_full": "Sr4 Mn2 Cr2 O12",
"formula_reduced": "Sr2MnCrO6",
"formula_anonymous": "ABC2D6",
"energy": -154.12116799,
"energy_per_atom": -7.7060583995,
"energy_above_hull": null,
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"energy_uncorrected": -138.54316799,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:43.175000Z",
"spacegroup": 123
},
{
"id": "mp-20239",
"created_at": "2022-09-04T14:43:47.474034Z",
"structure_string": "Sr4 Mn2 Cu2 S2 O6\n1.0\n3.912607 0.000000 0.000000\n0.000000 3.912607 0.000000\n0.000000 0.000000 16.103085\nSr Mn Cu S O\n4 2 2 2 6\ndirect\n0.000000 0.500000 0.187482 Sr\n0.500000 0.000000 0.812518 Sr\n0.000000 0.500000 0.417297 Sr\n0.500000 0.000000 0.582703 Sr\n0.500000 0.000000 0.305806 Mn\n0.000000 0.500000 0.694194 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.086415 S\n0.000000 0.500000 0.913585 S\n0.000000 0.000000 0.285388 O\n0.500000 0.500000 0.285388 O\n0.500000 0.500000 0.714612 O\n0.000000 0.000000 0.714612 O\n0.500000 0.000000 0.431782 O\n0.000000 0.500000 0.568218 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.035725287890718,
"density_atomic": 0.06490504302328325,
"volume": 246.51397263938884,
"volume_molar": 9.278386515882426,
"formula_full": "Sr4 Mn2 Cu2 S2 O6",
"formula_reduced": "Sr2MnCuSO3",
"formula_anonymous": "ABCD2E3",
"energy": -106.6929443,
"energy_per_atom": -6.66830901875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.2289443,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1333272,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.688000Z",
"spacegroup": 129
},
{
"id": "mp-1218497",
"created_at": "2022-09-04T14:47:18.952277Z",
"structure_string": "Sr4 Mn2 Cu3 Se4 O4\n1.0\n2.905304 -9.001039 0.000000\n2.905304 9.001039 0.000000\n0.000000 0.000000 5.810790\nSr Mn Cu Se O\n4 2 3 4 4\ndirect\n0.405859 0.095607 0.749794 Sr\n0.904393 0.594141 0.250206 Sr\n0.095607 0.405859 0.250206 Sr\n0.594141 0.904393 0.749794 Sr\n0.500000 0.000000 0.250753 Mn\n0.000000 0.500000 0.749247 Mn\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.169280 0.330147 0.750438 Se\n0.669853 0.830720 0.249562 Se\n0.330147 0.169280 0.249562 Se\n0.830720 0.669853 0.750438 Se\n0.248953 0.751047 0.500000 O\n0.750017 0.249983 0.000000 O\n0.751047 0.248953 0.500000 O\n0.249983 0.750017 0.000000 O\n",
"nsites": 17,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-Mn-O-Se-Sr",
"density": 5.632321761870365,
"density_atomic": 0.05593704496457357,
"volume": 303.9130867704319,
"volume_molar": 10.76592580786844,
"formula_full": "Sr4 Mn2 Cu3 Se4 O4",
"formula_reduced": "Sr4Mn2Cu3(SeO)4",
"formula_anonymous": "A2B3C4D4E4",
"energy": -102.75414159,
"energy_per_atom": -6.0443612700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.78214159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0843921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.179000Z",
"spacegroup": 21
}
]
}