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=updated_at&page=31",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=29",
"results": [
{
"id": "mp-1244659",
"created_at": "2022-09-04T14:39:20.323230Z",
"structure_string": "V4 P6 O22\n1.0\n6.867533 -0.031355 -2.428297\n-1.519330 6.706971 2.432304\n0.041821 -0.028159 8.960259\nV P O\n4 6 22\ndirect\n0.110645 0.366843 0.958955 V\n0.365935 0.110989 0.541131 V\n0.640634 0.886818 0.460783 V\n0.887626 0.640951 0.039292 V\n0.039821 0.040238 0.749751 P\n0.457782 0.671953 0.788477 P\n0.327321 0.544341 0.291011 P\n0.671724 0.457280 0.711178 P\n0.544105 0.327306 0.209346 P\n0.960890 0.960543 0.250149 P\n0.007841 0.855434 0.898362 O\n0.042336 0.229635 0.786329 O\n0.136706 0.978626 0.398277 O\n0.257782 0.617478 0.827083 O\n0.229306 0.042131 0.713216 O\n0.153261 0.542827 0.131618 O\n0.471070 0.842881 0.630115 O\n0.275613 0.372476 0.431362 O\n0.634296 0.720018 0.932203 O\n0.481347 0.481250 0.750134 O\n0.397039 0.748297 0.330273 O\n0.617181 0.257677 0.672996 O\n0.515828 0.515961 0.249917 O\n0.371934 0.276105 0.068706 O\n0.720280 0.633988 0.567729 O\n0.541891 0.153541 0.368764 O\n0.979514 0.136607 0.102010 O\n0.764664 0.947179 0.291885 O\n0.748370 0.397094 0.169754 O\n0.855660 0.007330 0.601331 O\n0.947299 0.764446 0.208315 O\n0.843159 0.470624 0.869543 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 2.979332694163829,
"density_atomic": 0.07741994748618779,
"volume": 413.3301692785184,
"volume_molar": 7.77853893671833,
"formula_full": "V4 P6 O22",
"formula_reduced": "V2P3O11",
"formula_anonymous": "A2B3C11",
"energy": -262.18770495,
"energy_per_atom": -8.1933657796875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.27370495,
"band_gap": 0.6423999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.940000Z",
"spacegroup": 5
},
{
"id": "mp-1093534",
"created_at": "2022-09-04T14:39:19.594889Z",
"structure_string": "Hf1 Ge1 Rh2\n1.0\n-4.557482 5.496926 7.773032\n4.557482 -5.496926 7.773032\n4.557482 5.496926 -7.773032\nHf Ge Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ge\n0.000000 0.257312 0.257312 Rh\n0.000000 0.742688 0.742688 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ge",
"Rh"
],
"chemical_system": "Ge-Hf-Rh",
"density": 0.9741232874882602,
"density_atomic": 0.005135286662282893,
"volume": 778.924383984009,
"volume_molar": 117.2698070436998,
"formula_full": "Hf1 Ge1 Rh2",
"formula_reduced": "HfGeRh2",
"formula_anonymous": "ABC2",
"energy": -20.85302263,
"energy_per_atom": -5.2132556575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.85302263,
"band_gap": 0.3066,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5000784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.940000Z",
"spacegroup": 71
},
{
"id": "mp-1197197",
"created_at": "2022-09-04T14:39:37.728259Z",
"structure_string": "Th8 P16 H16 O64\n1.0\n8.756778 0.000000 0.000000\n0.000000 9.576940 0.000000\n0.000000 0.000000 19.532075\nTh P H O\n8 16 16 64\ndirect\n0.485814 0.866478 0.127626 Th\n0.985814 0.633522 0.872374 Th\n0.514186 0.366478 0.372374 Th\n0.014186 0.133522 0.627626 Th\n0.514186 0.133522 0.872374 Th\n0.014186 0.366478 0.127626 Th\n0.485814 0.633522 0.627626 Th\n0.985814 0.866478 0.372374 Th\n0.762830 0.095475 0.033460 P\n0.262830 0.404525 0.966540 P\n0.237170 0.595475 0.466540 P\n0.737170 0.904525 0.533460 P\n0.237170 0.904525 0.966540 P\n0.737170 0.595475 0.033460 P\n0.762830 0.404525 0.533460 P\n0.262830 0.095475 0.466540 P\n0.085501 0.986160 0.187263 P\n0.585501 0.513840 0.812737 P\n0.914499 0.486160 0.312737 P\n0.414499 0.013840 0.687263 P\n0.914499 0.013840 0.812737 P\n0.414499 0.486160 0.187263 P\n0.085501 0.513840 0.687263 P\n0.585501 0.986160 0.312737 P\n0.864507 0.992961 0.008281 H\n0.364507 0.507039 0.991719 H\n0.135493 0.492961 0.491719 H\n0.635493 0.007039 0.508281 H\n0.135493 0.007039 0.991719 H\n0.635493 0.492961 0.008281 H\n0.864507 0.507039 0.508281 H\n0.364507 0.992961 0.491719 H\n0.979158 0.918921 0.144273 H\n0.479158 0.581079 0.855727 H\n0.020842 0.418921 0.355727 H\n0.520842 0.081079 0.644273 H\n0.020842 0.081079 0.855727 H\n0.520842 0.418921 0.144273 H\n0.979158 0.581079 0.644273 H\n0.479158 0.918921 0.355727 H\n0.443088 0.122471 0.100448 O\n0.943088 0.377529 0.899552 O\n0.556912 0.622471 0.399552 O\n0.056912 0.877529 0.600448 O\n0.556912 0.877529 0.899552 O\n0.056912 0.622471 0.100448 O\n0.443088 0.377529 0.600448 O\n0.943088 0.122471 0.399552 O\n0.687960 0.740332 0.191526 O\n0.187960 0.759668 0.808474 O\n0.312040 0.240332 0.308474 O\n0.812040 0.259668 0.691526 O\n0.312040 0.259668 0.808474 O\n0.812040 0.240332 0.191526 O\n0.687960 0.759668 0.691526 O\n0.187960 0.740332 0.308474 O\n0.353054 0.873175 0.023411 O\n0.853054 0.626825 0.976589 O\n0.646946 0.373175 0.476589 O\n0.146946 0.126825 0.523411 O\n0.646946 0.126825 0.976589 O\n0.146946 0.373175 0.023411 O\n0.353054 0.626825 0.523411 O\n0.853054 0.873175 0.476589 O\n0.684932 0.021582 0.095233 O\n0.184932 0.478418 0.904767 O\n0.315068 0.521582 0.404767 O\n0.815068 0.978418 0.595233 O\n0.315068 0.978418 0.904767 O\n0.815068 0.521582 0.095233 O\n0.684932 0.478418 0.595233 O\n0.184932 0.021582 0.404767 O\n0.855715 0.222579 0.054838 O\n0.355715 0.277421 0.945162 O\n0.144285 0.722579 0.445162 O\n0.644285 0.777421 0.554838 O\n0.144285 0.777421 0.945162 O\n0.644285 0.722579 0.054838 O\n0.855715 0.277421 0.554838 O\n0.355715 0.222579 0.445162 O\n0.430600 0.644562 0.171623 O\n0.930600 0.855438 0.828377 O\n0.569400 0.144562 0.328377 O\n0.069400 0.355438 0.671623 O\n0.569400 0.355438 0.828377 O\n0.069400 0.144562 0.171623 O\n0.430600 0.855438 0.671623 O\n0.930600 0.644562 0.328377 O\n0.243792 0.934633 0.167198 O\n0.743792 0.565367 0.832802 O\n0.756208 0.434633 0.332802 O\n0.256208 0.065367 0.667198 O\n0.756208 0.065367 0.832802 O\n0.256208 0.434633 0.167198 O\n0.243792 0.565367 0.667198 O\n0.743792 0.934633 0.332802 O\n0.044039 0.952665 0.261831 O\n0.544039 0.547335 0.738169 O\n0.955961 0.452665 0.238169 O\n0.455961 0.047335 0.761831 O\n0.955961 0.047335 0.738169 O\n0.455961 0.452665 0.261831 O\n0.044039 0.547335 0.761831 O\n0.544039 0.952665 0.238169 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Th",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Th",
"density": 3.4386029747167184,
"density_atomic": 0.06349124596001879,
"volume": 1638.0210913720307,
"volume_molar": 9.484993827010761,
"formula_full": "Th8 P16 H16 O64",
"formula_reduced": "ThP2(HO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -718.82837477,
"energy_per_atom": -6.911811295865385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -674.86037477,
"band_gap": 0.4894,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.3385145,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.940000Z",
"spacegroup": 61
},
{
"id": "mp-13039",
"created_at": "2022-09-04T14:39:29.961315Z",
"structure_string": "Tm2 C1 N2 O2\n1.0\n1.832050 -3.173204 0.000000\n1.832050 3.173204 0.000000\n0.000000 0.000000 8.134802\nTm C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.824191 Tm\n0.333333 0.666667 0.175809 Tm\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.651899 N\n0.000000 0.000000 0.348101 N\n0.333333 0.666667 0.897370 O\n0.666667 0.333333 0.102630 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Tm",
"C",
"N",
"O"
],
"chemical_system": "C-N-O-Tm",
"density": 7.1962380530221655,
"density_atomic": 0.07400920555946601,
"volume": 94.58282854253228,
"volume_molar": 8.137015813743929,
"formula_full": "Tm2 C1 N2 O2",
"formula_reduced": "Tm2C(NO)2",
"formula_anonymous": "AB2C2D2",
"energy": -62.45620622,
"energy_per_atom": -8.922315174285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.36020622,
"band_gap": 4.0331,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.942000Z",
"spacegroup": 164
},
{
"id": "mp-1100395",
"created_at": "2022-09-04T14:39:47.463924Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n0.000000 3.810037 3.810037\n3.810037 0.000000 3.810037\n3.810037 3.810037 0.000000\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 3.793230774554538,
"density_atomic": 0.02712087389873372,
"volume": 110.61590460549543,
"volume_molar": 22.204818260967528,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy": -13.71022129,
"energy_per_atom": -4.570073763333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.56222129,
"band_gap": 4.9392,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.943000Z",
"spacegroup": 216
},
{
"id": "mp-1226044",
"created_at": "2022-09-04T14:39:36.997040Z",
"structure_string": "Co4 Cu1 Ni1 S8\n1.0\n0.000000 4.697851 4.697851\n4.697851 0.000000 4.697851\n4.697851 4.697851 0.000000\nCo Cu Ni S\n4 1 1 8\ndirect\n0.625743 0.124752 0.124752 Co\n0.124752 0.625743 0.124752 Co\n0.124752 0.124752 0.625743 Co\n0.124752 0.124752 0.124752 Co\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.337192 0.887603 0.887603 S\n0.887603 0.337192 0.887603 S\n0.887603 0.887603 0.337192 S\n0.887603 0.887603 0.887603 S\n0.903720 0.365427 0.365427 S\n0.365427 0.903720 0.365427 S\n0.365427 0.365427 0.903720 S\n0.365427 0.365427 0.365427 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Co",
"Cu",
"Ni",
"S"
],
"chemical_system": "Co-Cu-Ni-S",
"density": 4.920823038734486,
"density_atomic": 0.0675150082566896,
"volume": 207.36130175341918,
"volume_molar": 8.919706766685179,
"formula_full": "Co4 Cu1 Ni1 S8",
"formula_reduced": "Co4CuNiS8",
"formula_anonymous": "ABC4D8",
"energy": -81.5440627,
"energy_per_atom": -5.824575907142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.5200627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.948000Z",
"spacegroup": 216
},
{
"id": "mp-776002",
"created_at": "2022-09-04T14:39:10.074060Z",
"structure_string": "Ti3 Nb2 Cr1 P6 O24\n1.0\n7.459053 -4.354979 0.000000\n7.459053 4.354979 0.000000\n4.916391 0.000000 7.101577\nTi Nb Cr P O\n3 2 1 6 24\ndirect\n0.143198 0.143198 0.143198 Ti\n0.357851 0.357851 0.357851 Ti\n0.641007 0.641007 0.641007 Ti\n0.002082 0.002082 0.002082 Nb\n0.500061 0.500061 0.500061 Nb\n0.856001 0.856001 0.856001 Cr\n0.749315 0.039104 0.462140 P\n0.039104 0.462140 0.749315 P\n0.542463 0.246233 0.961276 P\n0.961276 0.542463 0.246233 P\n0.246233 0.961276 0.542463 P\n0.462140 0.749315 0.039104 P\n0.309151 0.118128 0.502911 O\n0.502911 0.309151 0.118128 O\n0.911993 0.057989 0.265801 O\n0.118128 0.502911 0.309151 O\n0.807515 0.008252 0.616396 O\n0.588198 0.235943 0.439973 O\n0.057989 0.265801 0.911993 O\n0.235942 0.439973 0.588198 O\n0.383723 0.185746 0.999960 O\n0.439973 0.588198 0.235943 O\n0.737920 0.086577 0.943457 O\n0.999960 0.383723 0.185746 O\n0.008252 0.616396 0.807515 O\n0.265801 0.911993 0.057989 O\n0.557318 0.408340 0.766603 O\n0.616396 0.807515 0.008252 O\n0.766603 0.557318 0.408340 O\n0.943457 0.737920 0.086577 O\n0.408340 0.766603 0.557318 O\n0.185746 0.999960 0.383723 O\n0.883022 0.495929 0.688421 O\n0.086577 0.943457 0.737920 O\n0.495929 0.688421 0.883022 O\n0.688421 0.883022 0.495929 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Ti",
"Nb",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Nb-O-P-Ti",
"density": 3.4236057652511076,
"density_atomic": 0.0780275456816183,
"volume": 461.375526879873,
"volume_molar": 7.717967683582664,
"formula_full": "Ti3 Nb2 Cr1 P6 O24",
"formula_reduced": "Ti3Nb2Cr(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -304.25916498000004,
"energy_per_atom": -8.451643471666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.77216498,
"band_gap": 0.1064999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.949000Z",
"spacegroup": 146
},
{
"id": "mp-1217844",
"created_at": "2022-09-04T14:39:37.304381Z",
"structure_string": "Tb1 Cr2 Fe10\n1.0\n0.000000 0.000000 4.673529\n-4.222526 4.190487 2.336765\n-4.222526 -4.190487 -2.336765\nTb Cr Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.368096 0.368096 Cr\n0.000000 0.631904 0.631904 Cr\n0.725647 0.774353 0.225647 Fe\n0.274353 0.225647 0.774353 Fe\n0.500000 0.771302 0.771302 Fe\n0.500000 0.228698 0.228698 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.640302 0.359698 0.640302 Fe\n0.359698 0.640302 0.359698 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Tb",
"density": 8.246598883003688,
"density_atomic": 0.07860163585282852,
"volume": 165.39095985662223,
"volume_molar": 7.661597236062218,
"formula_full": "Tb1 Cr2 Fe10",
"formula_reduced": "Tb(CrFe5)2",
"formula_anonymous": "AB2C10",
"energy": -108.53710408,
"energy_per_atom": -8.349008006153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.53710408,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0482591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.950000Z",
"spacegroup": 71
},
{
"id": "mp-1215514",
"created_at": "2022-09-04T14:39:34.844116Z",
"structure_string": "Yb1 Mn1 Cu1 P2\n1.0\n1.948349 -3.374639 0.000000\n1.948349 3.374639 0.000000\n0.000000 0.000000 6.527181\nYb Mn Cu P\n1 1 1 2\ndirect\n0.333333 0.666667 0.989963 Yb\n0.000000 0.000000 0.377733 Mn\n0.666667 0.333333 0.633421 Cu\n0.666667 0.333333 0.274528 P\n0.000000 0.000000 0.724354 P\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Yb",
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P-Yb",
"density": 6.838389904157568,
"density_atomic": 0.05825326589255515,
"volume": 85.8320975380542,
"volume_molar": 10.337859462004237,
"formula_full": "Yb1 Mn1 Cu1 P2",
"formula_reduced": "YbMnCuP2",
"formula_anonymous": "ABCD2",
"energy": -28.922687270000004,
"energy_per_atom": -5.7845374540000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.922687270000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7700377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.951000Z",
"spacegroup": 156
},
{
"id": "mp-1047762",
"created_at": "2022-09-04T14:39:48.525278Z",
"structure_string": "Ni4 O8\n1.0\n1.412643 -4.654795 0.000000\n1.412643 4.654795 0.000000\n0.000000 0.000000 9.170197\nNi O\n4 8\ndirect\n0.134406 0.865594 0.070965 Ni\n0.865594 0.134406 0.929035 Ni\n0.134406 0.865594 0.429035 Ni\n0.865594 0.134406 0.570965 Ni\n0.763995 0.236005 0.389100 O\n0.236005 0.763995 0.610900 O\n0.236005 0.763995 0.889100 O\n0.763995 0.236005 0.110900 O\n0.045087 0.954913 0.250000 O\n0.954913 0.045087 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"O"
],
"chemical_system": "Ni-O",
"density": 4.995021751161199,
"density_atomic": 0.0995037856457877,
"volume": 120.59842670426075,
"volume_molar": 6.052172508730009,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy": -68.38367309,
"energy_per_atom": -5.698639424166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.72367309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1592642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.951000Z",
"spacegroup": 63
},
{
"id": "mp-631464",
"created_at": "2022-09-04T14:39:24.602748Z",
"structure_string": "K1 Be1 Pt1\n1.0\n0.000000 3.258577 3.258577\n3.258577 0.000000 3.258577\n3.258577 3.258577 0.000000\nK Be Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Be",
"Pt"
],
"chemical_system": "Be-K-Pt",
"density": 5.8356448726356875,
"density_atomic": 0.043351816091611504,
"volume": 69.20125315304828,
"volume_molar": 13.89132290853502,
"formula_full": "K1 Be1 Pt1",
"formula_reduced": "KBePt",
"formula_anonymous": "ABC",
"energy": -8.69848426,
"energy_per_atom": -2.8994947533333337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.69848426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.952000Z",
"spacegroup": 216
},
{
"id": "mp-1038704",
"created_at": "2022-09-04T14:39:18.138824Z",
"structure_string": "Sr1 Mg30 Cd1 O32\n1.0\n8.637331 0.000000 0.000000\n0.000000 8.637331 0.000000\n0.000000 0.000000 8.662955\nSr Mg Cd O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.257730 0.252977 Mg\n0.000000 0.257730 0.747023 Mg\n0.000000 0.742270 0.252977 Mg\n0.000000 0.742270 0.747023 Mg\n0.500000 0.250681 0.250435 Mg\n0.500000 0.250681 0.749565 Mg\n0.500000 0.749319 0.250435 Mg\n0.500000 0.749319 0.749565 Mg\n0.257730 0.000000 0.252977 Mg\n0.257730 0.000000 0.747023 Mg\n0.250681 0.500000 0.250435 Mg\n0.250681 0.500000 0.749565 Mg\n0.742270 0.000000 0.252977 Mg\n0.742270 0.000000 0.747023 Mg\n0.749319 0.500000 0.250435 Mg\n0.749319 0.500000 0.749565 Mg\n0.255038 0.255038 0.000000 Mg\n0.252399 0.252399 0.500000 Mg\n0.255038 0.744962 0.000000 Mg\n0.252399 0.747602 0.500000 Mg\n0.744962 0.255038 0.000000 Mg\n0.747602 0.252399 0.500000 Mg\n0.744962 0.744962 0.000000 Mg\n0.747602 0.747602 0.500000 Mg\n0.000000 0.000000 0.500000 Cd\n0.270807 0.000000 0.000000 O\n0.267629 0.000000 0.500000 O\n0.254009 0.500000 0.000000 O\n0.252928 0.500000 0.500000 O\n0.729193 0.000000 0.000000 O\n0.732371 0.000000 0.500000 O\n0.745991 0.500000 0.000000 O\n0.747072 0.500000 0.500000 O\n0.249343 0.249343 0.249953 O\n0.249343 0.249343 0.750047 O\n0.249343 0.750657 0.249953 O\n0.249343 0.750657 0.750047 O\n0.750657 0.249343 0.249953 O\n0.750657 0.249343 0.750047 O\n0.750657 0.750657 0.249953 O\n0.750657 0.750657 0.750047 O\n0.000000 0.000000 0.257960 O\n0.000000 0.000000 0.742040 O\n0.000000 0.500000 0.251273 O\n0.000000 0.500000 0.748727 O\n0.500000 0.000000 0.251273 O\n0.500000 0.000000 0.748727 O\n0.500000 0.500000 0.250161 O\n0.500000 0.500000 0.749839 O\n0.000000 0.270807 0.000000 O\n0.000000 0.267629 0.500000 O\n0.000000 0.729193 0.000000 O\n0.000000 0.732371 0.500000 O\n0.500000 0.254009 0.000000 O\n0.500000 0.252928 0.500000 O\n0.500000 0.745991 0.000000 O\n0.500000 0.747072 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Cd",
"O"
],
"chemical_system": "Cd-Mg-O-Sr",
"density": 3.7028545674147817,
"density_atomic": 0.09902726614701808,
"volume": 646.2866490223428,
"volume_molar": 6.0812955808144755,
"formula_full": "Sr1 Mg30 Cd1 O32",
"formula_reduced": "SrMg30CdO32",
"formula_anonymous": "ABC30D32",
"energy": -397.49645161,
"energy_per_atom": -6.21088205640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.51245161,
"band_gap": 3.2915,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.953000Z",
"spacegroup": 123
}
]
}