HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10128",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10126",
"results": [
{
"id": "mp-581855",
"created_at": "2022-09-04T14:39:39.777681Z",
"structure_string": "Sr42 Mn8 Sb36\n1.0\n8.794344 9.177297 0.000000\n-8.794344 9.177297 0.000000\n0.000000 0.593438 17.990764\nSr Mn Sb\n42 8 36\ndirect\n0.902871 0.240648 0.659393 Sr\n0.003655 0.677076 0.937283 Sr\n0.490813 0.728837 0.922325 Sr\n0.509187 0.271163 0.077675 Sr\n0.578389 0.250468 0.646261 Sr\n0.097129 0.759352 0.340607 Sr\n0.432703 0.076419 0.257236 Sr\n0.759352 0.097129 0.340607 Sr\n0.902990 0.902990 0.755024 Sr\n0.929333 0.177412 0.880679 Sr\n0.749532 0.421611 0.353739 Sr\n0.822588 0.070667 0.119321 Sr\n0.992289 0.245595 0.443988 Sr\n0.097010 0.097010 0.244976 Sr\n0.076419 0.432703 0.257236 Sr\n0.236914 0.236914 0.591164 Sr\n0.070667 0.822588 0.119321 Sr\n0.728837 0.490813 0.922325 Sr\n0.322924 0.996345 0.062717 Sr\n0.763086 0.763086 0.408836 Sr\n0.245595 0.992289 0.443988 Sr\n0.421611 0.749532 0.353739 Sr\n0.177412 0.929333 0.880679 Sr\n0.567297 0.923581 0.742764 Sr\n0.503722 0.763467 0.558433 Sr\n0.428484 0.738545 0.150704 Sr\n0.738545 0.428484 0.150704 Sr\n0.571516 0.261455 0.849296 Sr\n0.763467 0.503722 0.558433 Sr\n0.248297 0.248297 0.919859 Sr\n0.240648 0.902871 0.659393 Sr\n0.677076 0.003655 0.937283 Sr\n0.261455 0.571516 0.849296 Sr\n0.007711 0.754405 0.556012 Sr\n0.271163 0.509187 0.077675 Sr\n0.923581 0.567297 0.742764 Sr\n0.996345 0.322924 0.062717 Sr\n0.250468 0.578389 0.646261 Sr\n0.236533 0.496278 0.441567 Sr\n0.496278 0.236533 0.441567 Sr\n0.754405 0.007711 0.556012 Sr\n0.751703 0.751703 0.080141 Sr\n0.651129 0.874265 0.250738 Mn\n0.348871 0.125735 0.749262 Mn\n0.499059 0.499059 0.705253 Mn\n0.658306 0.658306 0.743182 Mn\n0.341694 0.341694 0.256818 Mn\n0.125735 0.348871 0.749262 Mn\n0.874265 0.651129 0.250738 Mn\n0.500941 0.500941 0.294747 Mn\n0.260812 0.898191 0.242441 Sb\n0.959790 0.577479 0.115345 Sb\n0.437590 0.704401 0.738768 Sb\n0.873499 0.873499 0.244114 Sb\n0.564749 0.950136 0.396724 Sb\n0.650871 0.650871 0.250350 Sb\n0.241909 0.241909 0.378619 Sb\n0.745373 0.254627 0.000000 Sb\n0.444611 0.444611 0.560427 Sb\n0.049864 0.435251 0.603276 Sb\n0.452262 0.452262 0.937239 Sb\n0.577479 0.959790 0.115345 Sb\n0.555389 0.555389 0.439573 Sb\n0.898191 0.260812 0.242441 Sb\n0.950136 0.564749 0.396724 Sb\n0.562410 0.295599 0.261232 Sb\n0.295599 0.562410 0.261232 Sb\n0.072744 0.072744 0.033809 Sb\n0.964894 0.964894 0.426301 Sb\n0.101809 0.739188 0.757559 Sb\n0.435251 0.049864 0.603276 Sb\n0.254675 0.745325 0.500000 Sb\n0.758091 0.758091 0.621381 Sb\n0.349129 0.349129 0.749650 Sb\n0.253957 0.253957 0.129385 Sb\n0.254627 0.745373 0.000000 Sb\n0.704401 0.437590 0.738768 Sb\n0.040210 0.422521 0.884655 Sb\n0.739188 0.101809 0.757559 Sb\n0.547738 0.547738 0.062761 Sb\n0.422521 0.040210 0.884655 Sb\n0.035106 0.035106 0.573699 Sb\n0.745325 0.254675 0.500000 Sb\n0.126501 0.126501 0.755886 Sb\n0.746043 0.746043 0.870615 Sb\n0.927256 0.927256 0.966191 Sb\n",
"nsites": 86,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 4.862040287373355,
"density_atomic": 0.029614241434635702,
"volume": 2904.0082012506873,
"volume_molar": 20.335286228053544,
"formula_full": "Sr42 Mn8 Sb36",
"formula_reduced": "Sr21(Mn2Sb9)2",
"formula_anonymous": "A4B18C21",
"energy": -376.4080188,
"energy_per_atom": -4.376837427906977,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.4960188,
"band_gap": 0.1454000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.5776626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.616000Z",
"spacegroup": 12
},
{
"id": "mp-27352",
"created_at": "2022-09-04T14:39:17.890841Z",
"structure_string": "Sr4 Ag24 O16\n1.0\n6.612018 0.000000 0.000000\n0.000000 9.090862 0.000000\n0.000000 0.000000 12.616277\nSr Ag O\n4 24 16\ndirect\n0.250000 0.880534 0.500000 Sr\n0.250000 0.619466 0.000000 Sr\n0.750000 0.119466 0.500000 Sr\n0.750000 0.380534 0.000000 Sr\n0.422583 0.539494 0.739185 Ag\n0.922583 0.460506 0.739185 Ag\n0.922583 0.039494 0.760815 Ag\n0.577417 0.460506 0.260815 Ag\n0.409653 0.750000 0.250000 Ag\n0.090347 0.750000 0.750000 Ag\n0.590347 0.250000 0.750000 Ag\n0.909653 0.250000 0.250000 Ag\n0.422583 0.960506 0.760815 Ag\n0.077417 0.539494 0.260815 Ag\n0.077417 0.960506 0.239185 Ag\n0.291410 0.235940 0.377972 Ag\n0.291410 0.264060 0.122028 Ag\n0.208590 0.235940 0.622028 Ag\n0.208590 0.264060 0.877972 Ag\n0.708590 0.764060 0.622028 Ag\n0.708590 0.735940 0.877972 Ag\n0.791410 0.764060 0.377972 Ag\n0.791410 0.735940 0.122028 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.577417 0.039494 0.239185 Ag\n0.590438 0.326633 0.397029 O\n0.545713 0.583102 0.119097 O\n0.545713 0.916898 0.380903 O\n0.954287 0.583102 0.880903 O\n0.590438 0.173367 0.102971 O\n0.909562 0.326633 0.602971 O\n0.909562 0.173367 0.897029 O\n0.409562 0.673367 0.602971 O\n0.409562 0.826633 0.897029 O\n0.954287 0.916898 0.619097 O\n0.090438 0.673367 0.397029 O\n0.045713 0.083102 0.380903 O\n0.045713 0.416898 0.119097 O\n0.454287 0.083102 0.619097 O\n0.454287 0.416898 0.880903 O\n0.090438 0.826633 0.102971 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"O"
],
"chemical_system": "Ag-O-Sr",
"density": 6.996670267904316,
"density_atomic": 0.058020620416223384,
"volume": 758.3510773300345,
"volume_molar": 10.37931121177071,
"formula_full": "Sr4 Ag24 O16",
"formula_reduced": "Sr(Ag3O2)2",
"formula_anonymous": "AB4C6",
"energy": -191.75407199999995,
"energy_per_atom": -4.35804709090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.762072,
"band_gap": 0.8650000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057946,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.430000Z",
"spacegroup": 52
},
{
"id": "mp-554259",
"created_at": "2022-09-04T14:47:02.134704Z",
"structure_string": "Sr4 Ag4 B28 O48\n1.0\n5.853687 3.359446 0.000000\n-5.853687 3.359446 0.000000\n0.000000 0.969755 22.349483\nSr Ag B O\n4 4 28 48\ndirect\n0.839379 0.169602 0.941862 Sr\n0.160621 0.830398 0.058138 Sr\n0.830398 0.160621 0.558138 Sr\n0.169602 0.839379 0.441862 Sr\n0.541205 0.735687 0.199776 Ag\n0.458795 0.264313 0.800224 Ag\n0.735687 0.541205 0.699776 Ag\n0.264313 0.458795 0.300224 Ag\n0.837540 0.292716 0.191690 B\n0.417299 0.655327 0.563394 B\n0.655327 0.417299 0.063394 B\n0.344673 0.582701 0.936606 B\n0.582701 0.344673 0.436606 B\n0.137111 0.230312 0.692080 B\n0.738844 0.667369 0.907437 B\n0.174968 0.839905 0.915965 B\n0.036519 0.723456 0.211307 B\n0.731239 0.573324 0.563766 B\n0.332631 0.261156 0.592563 B\n0.862889 0.769688 0.307920 B\n0.769688 0.862889 0.807920 B\n0.667369 0.738844 0.407437 B\n0.426676 0.268761 0.936234 B\n0.707284 0.162460 0.308310 B\n0.839905 0.174968 0.415965 B\n0.230312 0.137111 0.192080 B\n0.825032 0.160095 0.084035 B\n0.276544 0.963481 0.288693 B\n0.160095 0.825032 0.584035 B\n0.162460 0.707284 0.808310 B\n0.292716 0.837540 0.691690 B\n0.963481 0.276544 0.788693 B\n0.268761 0.426676 0.436234 B\n0.723456 0.036519 0.711307 B\n0.261156 0.332631 0.092563 B\n0.573324 0.731239 0.063766 B\n0.262533 0.426710 0.567960 O\n0.841203 0.710852 0.248662 O\n0.041851 0.175175 0.069234 O\n0.423378 0.656041 0.427166 O\n0.175175 0.041851 0.569234 O\n0.876973 0.076808 0.832695 O\n0.042906 0.362107 0.446424 O\n0.208581 0.791419 0.750000 O\n0.045742 0.478586 0.824096 O\n0.824825 0.958149 0.430766 O\n0.957094 0.637893 0.553576 O\n0.331996 0.279072 0.658807 O\n0.656041 0.423378 0.927166 O\n0.362107 0.042906 0.946424 O\n0.654234 0.730247 0.563509 O\n0.573290 0.737467 0.932040 O\n0.345766 0.269753 0.436491 O\n0.826104 0.366705 0.056162 O\n0.289148 0.158797 0.251338 O\n0.923192 0.123027 0.667305 O\n0.954258 0.521414 0.175904 O\n0.760660 0.129091 0.148401 O\n0.366705 0.826104 0.556162 O\n0.173896 0.633295 0.943838 O\n0.637893 0.957094 0.053576 O\n0.269753 0.345766 0.936491 O\n0.633295 0.173896 0.443838 O\n0.791419 0.208581 0.250000 O\n0.478586 0.045742 0.324096 O\n0.730247 0.654234 0.063509 O\n0.720928 0.668004 0.841193 O\n0.158797 0.289148 0.751338 O\n0.230609 0.769391 0.250000 O\n0.123027 0.923192 0.167305 O\n0.668004 0.720928 0.341193 O\n0.343959 0.576622 0.072834 O\n0.958149 0.824825 0.930766 O\n0.737467 0.573290 0.432040 O\n0.076808 0.876973 0.332695 O\n0.129091 0.760660 0.648401 O\n0.710852 0.841203 0.748662 O\n0.279072 0.331996 0.158807 O\n0.239340 0.870909 0.851599 O\n0.576622 0.343959 0.572834 O\n0.521414 0.954258 0.675904 O\n0.426710 0.262533 0.067960 O\n0.870909 0.239340 0.351599 O\n0.769391 0.230609 0.750000 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
"Sr",
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O-Sr",
"density": 3.4998031720088623,
"density_atomic": 0.09556187179531025,
"volume": 879.0116646095493,
"volume_molar": 6.301823778524542,
"formula_full": "Sr4 Ag4 B28 O48",
"formula_reduced": "SrAgB7O12",
"formula_anonymous": "ABC7D12",
"energy": -675.82298604,
"energy_per_atom": -8.04551173857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -642.84698604,
"band_gap": 3.0005999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.593000Z",
"spacegroup": 15
},
{
"id": "mp-1204116",
"created_at": "2022-09-04T14:39:08.885672Z",
"structure_string": "Sr4 Ag8 C16 N16 O8\n1.0\n0.000000 -7.156535 0.000000\n-8.275692 0.000000 0.000000\n0.000000 0.000000 -18.500769\nSr Ag C N O\n4 8 16 16 8\ndirect\n0.733422 0.353362 0.250000 Sr\n0.266578 0.646638 0.750000 Sr\n0.766578 0.353362 0.750000 Sr\n0.233422 0.646638 0.250000 Sr\n0.500000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.750000 0.611895 0.500000 Ag\n0.250000 0.388105 0.000000 Ag\n0.250000 0.388105 0.500000 Ag\n0.750000 0.611895 0.000000 Ag\n0.109201 0.898072 0.908780 C\n0.890799 0.101928 0.408780 C\n0.390799 0.898072 0.091220 C\n0.609201 0.101928 0.591220 C\n0.890799 0.101928 0.091220 C\n0.109201 0.898072 0.591220 C\n0.609201 0.101928 0.908780 C\n0.390799 0.898072 0.408780 C\n0.121277 0.400843 0.900521 C\n0.878723 0.599157 0.400521 C\n0.378723 0.400843 0.099479 C\n0.621277 0.599157 0.599479 C\n0.878723 0.599157 0.099479 C\n0.121277 0.400843 0.599479 C\n0.621277 0.599157 0.900521 C\n0.378723 0.400843 0.400521 C\n0.169839 0.835046 0.857213 N\n0.830161 0.164954 0.357213 N\n0.330161 0.835046 0.142787 N\n0.669839 0.164954 0.642787 N\n0.830161 0.164954 0.142787 N\n0.169839 0.835046 0.642787 N\n0.669839 0.164954 0.857213 N\n0.330161 0.835046 0.357213 N\n0.051857 0.418791 0.843663 N\n0.948143 0.581209 0.343663 N\n0.448143 0.418791 0.156337 N\n0.551857 0.581209 0.656337 N\n0.948143 0.581209 0.156337 N\n0.051857 0.418791 0.656337 N\n0.551857 0.581209 0.843663 N\n0.448143 0.418791 0.343663 N\n0.600117 0.659834 0.250000 O\n0.399883 0.340166 0.750000 O\n0.899883 0.659834 0.750000 O\n0.100117 0.340166 0.250000 O\n0.486013 0.109222 0.250000 O\n0.513987 0.890778 0.750000 O\n0.013987 0.109222 0.750000 O\n0.986013 0.890778 0.250000 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Sr",
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O-Sr",
"density": 2.6637701832951515,
"density_atomic": 0.047457673536244305,
"volume": 1095.7132140134647,
"volume_molar": 12.689498475732863,
"formula_full": "Sr4 Ag8 C16 N16 O8",
"formula_reduced": "SrAg2C4(N2O)2",
"formula_anonymous": "AB2C2D4E4",
"energy": -338.44577655,
"energy_per_atom": -6.508572625961539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.17377655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999986,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.541000Z",
"spacegroup": 57
},
{
"id": "mp-1042971",
"created_at": "2022-09-04T14:41:04.021980Z",
"structure_string": "Sr4 Al2 Co2 Cu4 O14\n1.0\n5.190849 -0.001847 -1.194722\n-0.285065 5.242469 -1.223087\n0.057880 0.042051 12.071033\nSr Al Co Cu O\n4 2 2 4 14\ndirect\n0.339118 0.337261 0.699659 Sr\n0.640528 0.661374 0.301804 Sr\n0.838438 0.861134 0.699815 Sr\n0.140792 0.137305 0.301826 Sr\n0.983685 0.999333 0.000670 Al\n0.484108 0.498355 0.000522 Al\n0.273504 0.685122 0.500571 Co\n0.773674 0.312751 0.500734 Co\n0.923630 0.441880 0.882608 Cu\n0.041787 0.557365 0.118816 Cu\n0.423389 0.939509 0.882712 Cu\n0.541963 0.059321 0.119175 Cu\n0.136412 0.352167 0.500749 O\n0.636151 0.645237 0.500700 O\n0.249596 0.267069 0.892146 O\n0.358207 0.731748 0.108357 O\n0.749642 0.124316 0.893402 O\n0.857995 0.875728 0.108954 O\n0.603692 0.621167 0.890496 O\n0.713670 0.377984 0.111392 O\n0.103576 0.768899 0.890120 O\n0.214566 0.230769 0.110956 O\n0.295958 0.851994 0.653328 O\n0.645709 0.146585 0.347563 O\n0.795636 0.301075 0.653878 O\n0.145534 0.697452 0.347301 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Co",
"Cu",
"O"
],
"chemical_system": "Al-Co-Cu-O-Sr",
"density": 5.0477618704440035,
"density_atomic": 0.07899734552372657,
"volume": 329.1249829678263,
"volume_molar": 7.623219134864819,
"formula_full": "Sr4 Al2 Co2 Cu4 O14",
"formula_reduced": "Sr2AlCoCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -169.73211892,
"energy_per_atom": -6.5281584200000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.83811892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9994388,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.415000Z",
"spacegroup": 46
},
{
"id": "mp-1043752",
"created_at": "2022-09-04T14:40:11.952496Z",
"structure_string": "Sr4 Al2 Cr2 Cu4 O14\n1.0\n11.483186 3.826770 0.000000\n-11.483186 3.826770 0.000000\n0.000000 3.743271 3.870169\nSr Al Cr Cu O\n4 2 2 4 14\ndirect\n0.661469 0.872187 0.972805 Sr\n0.338015 0.128637 0.007863 Sr\n0.128637 0.338015 0.007863 Sr\n0.872187 0.661469 0.972805 Sr\n0.002164 0.502974 0.986795 Al\n0.502974 0.002164 0.986795 Al\n0.309593 0.309593 0.466603 Cr\n0.676812 0.676812 0.603283 Cr\n0.554757 0.943849 0.487595 Cu\n0.446533 0.061143 0.482599 Cu\n0.061143 0.446533 0.482599 Cu\n0.943849 0.554757 0.487595 Cu\n0.637356 0.637356 0.981622 O\n0.364601 0.364601 0.788454 O\n0.731061 0.124186 0.631175 O\n0.269250 0.876715 0.983985 O\n0.876715 0.269250 0.983985 O\n0.124186 0.731061 0.631175 O\n0.383882 0.773494 0.332574 O\n0.619297 0.231679 0.985304 O\n0.231679 0.619297 0.985304 O\n0.773494 0.383882 0.332574 O\n0.131355 0.282728 0.514987 O\n0.867038 0.726299 0.412795 O\n0.726299 0.867038 0.412795 O\n0.282728 0.131355 0.514987 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cr",
"Cu",
"O"
],
"chemical_system": "Al-Cr-Cu-O-Sr",
"density": 4.816597001736345,
"density_atomic": 0.07643964515633947,
"volume": 340.13763338151375,
"volume_molar": 7.8782950230644255,
"formula_full": "Sr4 Al2 Cr2 Cu4 O14",
"formula_reduced": "Sr2AlCrCu2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -178.00730613000002,
"energy_per_atom": -6.846434851153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.39130613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8373364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.978000Z",
"spacegroup": 8
},
{
"id": "mp-1046566",
"created_at": "2022-09-04T14:40:52.956051Z",
"structure_string": "Sr4 Al2 Cr4 Ga2 O14\n1.0\n-5.470140 0.000000 0.000000\n-0.007582 -5.878490 0.000000\n2.619920 1.811755 11.056104\nSr Al Cr Ga O\n4 2 4 2 14\ndirect\n0.143115 0.218924 0.298208 Sr\n0.825898 0.786682 0.696812 Sr\n0.655819 0.663808 0.295992 Sr\n0.328070 0.344707 0.691812 Sr\n0.516185 0.406056 0.991637 Al\n0.976870 0.933637 0.000770 Al\n0.426215 0.874812 0.879281 Cr\n0.077414 0.628333 0.140217 Cr\n0.938737 0.376720 0.877971 Cr\n0.571206 0.126031 0.145496 Cr\n0.213451 0.824789 0.498840 Ga\n0.714675 0.181390 0.499344 Ga\n0.819250 0.351841 0.101945 O\n0.868994 0.890836 0.498468 O\n0.370920 0.431471 0.120100 O\n0.841759 0.357893 0.649068 O\n0.764140 0.058888 0.885676 O\n0.276000 0.203170 0.886945 O\n0.368452 0.114982 0.495660 O\n0.100073 0.711171 0.896620 O\n0.604918 0.555275 0.883406 O\n0.342857 0.747130 0.649543 O\n0.203835 0.645517 0.350253 O\n0.709708 0.266336 0.350648 O\n0.791841 0.856278 0.109335 O\n0.252040 0.944882 0.128950 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cr",
"Ga",
"O"
],
"chemical_system": "Al-Cr-Ga-O-Sr",
"density": 4.557981238960647,
"density_atomic": 0.07313192536393329,
"volume": 355.52188555974357,
"volume_molar": 8.234626300389952,
"formula_full": "Sr4 Al2 Cr4 Ga2 O14",
"formula_reduced": "Sr2AlCr2GaO7",
"formula_anonymous": "ABC2D2E7",
"energy": -195.51381841,
"energy_per_atom": -7.519762246538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.89981841,
"band_gap": 1.1645000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9969504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.263000Z",
"spacegroup": 1
},
{
"id": "mp-1046370",
"created_at": "2022-09-04T14:47:27.029648Z",
"structure_string": "Sr4 Al2 Cu4 Ag2 O14\n1.0\n5.248595 0.000000 0.000000\n-0.007950 5.250244 0.000000\n-2.575920 -2.577638 11.968681\nSr Al Cu Ag O\n4 2 4 2 14\ndirect\n0.649983 0.681281 0.299762 Sr\n0.350533 0.379145 0.700980 Sr\n0.151946 0.180260 0.299711 Sr\n0.846627 0.877829 0.701189 Sr\n0.991953 0.999836 0.001264 Al\n0.507425 0.515128 0.000725 Al\n0.561662 0.083851 0.120394 Cu\n0.433800 0.955219 0.880348 Cu\n0.067153 0.580171 0.121562 Cu\n0.937317 0.450320 0.879459 Cu\n0.237512 0.777121 0.499937 Ag\n0.761222 0.277098 0.500551 Ag\n0.759732 0.788805 0.500300 O\n0.241638 0.291828 0.500291 O\n0.739343 0.756625 0.098699 O\n0.265135 0.643281 0.899704 O\n0.872252 0.252760 0.100431 O\n0.121996 0.138290 0.899147 O\n0.385844 0.403134 0.109693 O\n0.616336 0.282286 0.890372 O\n0.235300 0.900070 0.109910 O\n0.761651 0.779554 0.889709 O\n0.157430 0.692232 0.323852 O\n0.841788 0.364801 0.676482 O\n0.668646 0.192246 0.324867 O\n0.330460 0.865906 0.675735 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Cu-O-Sr",
"density": 5.529973088035772,
"density_atomic": 0.07883235603742769,
"volume": 329.81381385653157,
"volume_molar": 7.639173890909506,
"formula_full": "Sr4 Al2 Cu4 Ag2 O14",
"formula_reduced": "Sr2AlCu2AgO7",
"formula_anonymous": "ABC2D2E7",
"energy": -156.50790806999998,
"energy_per_atom": -6.01953492576923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.88990807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0721822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.960000Z",
"spacegroup": 1
},
{
"id": "mp-1046495",
"created_at": "2022-09-04T14:39:43.342633Z",
"structure_string": "Sr4 Al2 Cu4 Bi2 O14\n1.0\n5.156332 -0.002682 -1.186717\n-0.281559 5.179886 -1.205955\n0.288856 0.306623 13.002564\nSr Al Cu Bi O\n4 2 4 2 14\ndirect\n0.333609 0.367004 0.725026 Sr\n0.613387 0.634466 0.276477 Sr\n0.833737 0.860504 0.724930 Sr\n0.113223 0.143129 0.276426 Sr\n0.986992 0.008080 0.000563 Al\n0.486395 0.498266 0.000751 Al\n0.924269 0.448812 0.889853 Cu\n0.040423 0.558850 0.110940 Cu\n0.424740 0.945481 0.890110 Cu\n0.540720 0.055862 0.110978 Cu\n0.244624 0.744598 0.500790 Bi\n0.744094 0.259398 0.500931 Bi\n0.159625 0.338735 0.501087 O\n0.660129 0.665328 0.500905 O\n0.251520 0.273328 0.901762 O\n0.359273 0.728444 0.100492 O\n0.751833 0.131522 0.900900 O\n0.858640 0.875358 0.099540 O\n0.603128 0.625740 0.897736 O\n0.713559 0.376144 0.103167 O\n0.103790 0.776037 0.898062 O\n0.213836 0.231275 0.103823 O\n0.320163 0.842946 0.685062 O\n0.639297 0.161182 0.316778 O\n0.820369 0.346565 0.685220 O\n0.138076 0.658423 0.316669 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cu",
"Bi",
"O"
],
"chemical_system": "Al-Bi-Cu-O-Sr",
"density": 6.151762769995346,
"density_atomic": 0.07406055005616333,
"volume": 351.0640952610138,
"volume_molar": 8.131374605553363,
"formula_full": "Sr4 Al2 Cu4 Bi2 O14",
"formula_reduced": "Sr2AlCu2BiO7",
"formula_anonymous": "ABC2D2E7",
"energy": -164.53778094999998,
"energy_per_atom": -6.328376190384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.91978095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0005732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.667000Z",
"spacegroup": 9
},
{
"id": "mp-1043885",
"created_at": "2022-09-04T14:42:38.175404Z",
"structure_string": "Sr4 Al2 Cu4 Mo2 O14\n1.0\n11.879307 3.808633 0.000000\n-11.879307 3.808633 0.000000\n0.000000 3.799055 3.887896\nSr Al Cu Mo O\n4 2 4 2 14\ndirect\n0.620291 0.838525 0.036818 Sr\n0.380534 0.159781 0.998614 Sr\n0.159781 0.380534 0.998614 Sr\n0.838525 0.620291 0.036818 Sr\n0.996517 0.495919 0.013463 Al\n0.495919 0.996517 0.013463 Al\n0.554272 0.944299 0.519042 Cu\n0.442942 0.052074 0.521015 Cu\n0.052074 0.442942 0.521015 Cu\n0.944299 0.554272 0.519042 Cu\n0.168349 0.168349 0.579635 Mo\n0.838092 0.838092 0.422405 Mo\n0.823248 0.823248 0.058664 O\n0.192842 0.192842 0.098456 O\n0.372104 0.765961 0.375186 O\n0.631288 0.232685 0.014792 O\n0.232685 0.631288 0.014792 O\n0.765961 0.372104 0.375186 O\n0.722061 0.113157 0.677522 O\n0.273175 0.880577 0.018009 O\n0.880577 0.273175 0.018009 O\n0.113157 0.722061 0.677522 O\n0.187866 0.347832 0.484131 O\n0.801996 0.645402 0.572985 O\n0.645402 0.801996 0.572985 O\n0.347832 0.187865 0.484131 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cu",
"Mo",
"O"
],
"chemical_system": "Al-Cu-Mo-O-Sr",
"density": 5.071659820172335,
"density_atomic": 0.07390409123308596,
"volume": 351.8073162959092,
"volume_molar": 8.14858915050695,
"formula_full": "Sr4 Al2 Cu4 Mo2 O14",
"formula_reduced": "Sr2AlCu2MoO7",
"formula_anonymous": "ABC2D2E7",
"energy": -177.46781783999998,
"energy_per_atom": -6.825685301538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.44581784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6170648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.547000Z",
"spacegroup": 8
},
{
"id": "mp-1043524",
"created_at": "2022-09-04T14:42:49.909767Z",
"structure_string": "Sr4 Al2 Cu4 Ni2 O14\n1.0\n5.173080 -0.000477 -1.192126\n-0.283670 5.265490 -1.226516\n0.057437 0.027803 12.056010\nSr Al Cu Ni O\n4 2 4 2 14\ndirect\n0.338877 0.335452 0.698829 Sr\n0.640680 0.664758 0.301889 Sr\n0.838721 0.863467 0.698753 Sr\n0.140718 0.136845 0.301856 Sr\n0.984998 0.000989 0.000408 Al\n0.485131 0.500071 0.000440 Al\n0.923808 0.442311 0.881322 Cu\n0.042913 0.558938 0.119454 Cu\n0.423910 0.939779 0.881651 Cu\n0.543083 0.060973 0.119752 Cu\n0.278654 0.678703 0.500254 Ni\n0.778952 0.321692 0.500205 Ni\n0.138045 0.358049 0.500284 O\n0.637314 0.642414 0.500296 O\n0.250960 0.268199 0.892523 O\n0.359255 0.732522 0.108361 O\n0.750899 0.125212 0.892505 O\n0.859339 0.876144 0.108342 O\n0.603125 0.621141 0.889515 O\n0.714319 0.379545 0.111388 O\n0.102853 0.769034 0.889504 O\n0.214264 0.232334 0.111361 O\n0.295041 0.859174 0.652312 O\n0.643568 0.141399 0.347747 O\n0.795777 0.293887 0.652787 O\n0.143040 0.707001 0.347944 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cu",
"Ni",
"O"
],
"chemical_system": "Al-Cu-Ni-O-Sr",
"density": 5.0482407641415445,
"density_atomic": 0.07904272992175418,
"volume": 328.93600747010976,
"volume_molar": 7.61884206929774,
"formula_full": "Sr4 Al2 Cu4 Ni2 O14",
"formula_reduced": "Sr2AlCu2NiO7",
"formula_anonymous": "ABC2D2E7",
"energy": -164.53940767,
"energy_per_atom": -6.328438756538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.83940767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0013217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.965000Z",
"spacegroup": 46
},
{
"id": "mp-1046341",
"created_at": "2022-09-04T14:41:01.822447Z",
"structure_string": "Sr4 Al2 Cu4 Sb2 O14\n1.0\n5.177472 0.000298 -1.193143\n-0.278888 5.195731 -1.207955\n0.200354 0.217832 12.682674\nSr Al Cu Sb O\n4 2 4 2 14\ndirect\n0.337744 0.363592 0.717353 Sr\n0.621840 0.639668 0.284041 Sr\n0.838452 0.855096 0.717318 Sr\n0.122167 0.148457 0.284058 Sr\n0.990017 0.999091 0.000683 Al\n0.485981 0.497578 0.000675 Al\n0.929503 0.442287 0.887814 Cu\n0.042503 0.556918 0.113121 Cu\n0.430321 0.941802 0.887652 Cu\n0.544822 0.057136 0.113950 Cu\n0.240408 0.748351 0.500716 Sb\n0.740158 0.254948 0.500692 Sb\n0.106770 0.384683 0.500743 O\n0.607050 0.618663 0.500614 O\n0.257479 0.268880 0.896681 O\n0.361230 0.729305 0.103594 O\n0.758386 0.123817 0.897762 O\n0.863794 0.876262 0.104682 O\n0.610216 0.622552 0.896837 O\n0.715425 0.377365 0.105601 O\n0.110434 0.769743 0.895723 O\n0.216216 0.229887 0.104557 O\n0.331209 0.831057 0.678130 O\n0.653272 0.171320 0.323236 O\n0.830090 0.348242 0.678091 O\n0.153778 0.654581 0.323456 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Cu",
"Sb",
"O"
],
"chemical_system": "Al-Cu-O-Sb-Sr",
"density": 5.438388924915808,
"density_atomic": 0.07561407413531258,
"volume": 343.8513305535235,
"volume_molar": 7.964311973486951,
"formula_full": "Sr4 Al2 Cu4 Sb2 O14",
"formula_reduced": "Sr2AlCu2SbO7",
"formula_anonymous": "ABC2D2E7",
"energy": -165.98804511,
"energy_per_atom": -6.384155581153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.37004511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.000274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.976000Z",
"spacegroup": 5
}
]
}