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=12176",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12174",
"results": [
{
"id": "mp-1176257",
"created_at": "2022-09-04T14:48:31.101832Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.997026 0.000000 0.000000\n-0.183867 5.003449 0.000000\n-0.531880 -1.027584 19.289564\nLi Mn Co O\n9 2 5 16\ndirect\n0.994266 0.379203 0.123419 Li\n0.489871 0.628294 0.381623 Li\n0.995688 0.882944 0.620516 Li\n0.498911 0.126315 0.872154 Li\n0.504128 0.870685 0.126306 Li\n0.003059 0.113302 0.383840 Li\n0.509792 0.373929 0.619821 Li\n0.002691 0.622345 0.873756 Li\n0.500555 0.999690 0.500596 Li\n0.000876 0.999907 0.999775 Mn\n0.497566 0.249605 0.251248 Mn\n0.000420 0.500212 0.500246 Co\n0.500963 0.750398 0.748790 Co\n0.501586 0.499755 0.999557 Co\n0.997167 0.749987 0.251571 Co\n0.000823 0.250762 0.747896 Co\n0.465613 0.198871 0.058560 O\n0.972192 0.442718 0.307340 O\n0.515464 0.667937 0.554243 O\n0.005633 0.944277 0.806761 O\n0.965829 0.689343 0.057391 O\n0.466525 0.938337 0.308861 O\n0.996857 0.225677 0.555765 O\n0.509103 0.441008 0.806641 O\n0.532618 0.561256 0.193568 O\n0.003717 0.776443 0.444323 O\n0.492381 0.057982 0.690250 O\n0.034217 0.311467 0.942580 O\n0.027064 0.052723 0.193054 O\n0.486224 0.331276 0.445543 O\n0.993761 0.560936 0.692359 O\n0.534439 0.802418 0.941647 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.150552153614366,
"density_atomic": 0.11062864138201839,
"volume": 289.25601544268164,
"volume_molar": 5.443563877101758,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.41913705,
"energy_per_atom": -6.4818480328125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.90113705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.197000Z",
"spacegroup": 1
},
{
"id": "mp-1246630",
"created_at": "2022-09-04T14:48:15.556994Z",
"structure_string": "Ca14 Pt2 N12\n1.0\n0.000000 -6.332550 0.000000\n-5.995189 -3.166275 -6.098367\n5.995189 -3.166275 -6.098367\nCa Pt N\n14 2 12\ndirect\n0.276170 0.952004 0.047996 Ca\n0.723830 0.047996 0.952004 Ca\n0.223830 0.452004 0.547996 Ca\n0.776170 0.547996 0.452004 Ca\n0.765509 0.151023 0.586652 Ca\n0.496815 0.586652 0.151023 Ca\n0.734491 0.913348 0.348977 Ca\n0.003185 0.348977 0.913348 Ca\n0.234491 0.848977 0.413348 Ca\n0.503185 0.413348 0.848977 Ca\n0.265509 0.086652 0.651023 Ca\n0.996815 0.651023 0.086652 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.750000 0.250000 0.250000 Pt\n0.250000 0.750000 0.750000 Pt\n0.002057 0.070863 0.316128 N\n0.610952 0.316128 0.070863 N\n0.497943 0.183872 0.429137 N\n0.889048 0.429137 0.183872 N\n0.997943 0.929137 0.683872 N\n0.389048 0.683872 0.929137 N\n0.502057 0.816128 0.570863 N\n0.110952 0.570863 0.816128 N\n0.890851 0.355926 0.644074 N\n0.109149 0.644074 0.355926 N\n0.609149 0.855926 0.144074 N\n0.390851 0.144074 0.855926 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"N"
],
"chemical_system": "Ca-N-Pt",
"density": 4.014081792306351,
"density_atomic": 0.06046902589647621,
"volume": 463.04698289561304,
"volume_molar": 9.959050391038193,
"formula_full": "Ca14 Pt2 N12",
"formula_reduced": "Ca7PtN6",
"formula_anonymous": "AB6C7",
"energy": -161.09802854,
"energy_per_atom": -5.753501019285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.76602854,
"band_gap": 0.0861,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057933,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.197000Z",
"spacegroup": 72
},
{
"id": "mp-556062",
"created_at": "2022-09-04T14:48:15.777732Z",
"structure_string": "Na2 Nb8 Tl6 P4 O34\n1.0\n5.047113 -10.836757 0.000000\n5.047113 10.836757 0.000000\n0.000000 0.000000 7.491019\nNa Nb Tl P O\n2 8 6 4 34\ndirect\n0.632099 0.632099 0.000000 Na\n0.632099 0.632099 0.500000 Na\n0.038475 0.345789 0.499351 Nb\n0.146538 0.673020 0.750000 Nb\n0.038475 0.345789 0.000649 Nb\n0.001009 0.001009 0.500000 Nb\n0.345789 0.038475 0.999351 Nb\n0.001009 0.001009 0.000000 Nb\n0.345789 0.038475 0.500649 Nb\n0.673020 0.146538 0.250000 Nb\n0.965733 0.687800 0.250000 Tl\n0.317945 0.713819 0.250000 Tl\n0.713819 0.317945 0.750000 Tl\n0.310529 0.366773 0.250000 Tl\n0.366773 0.310529 0.750000 Tl\n0.687800 0.965733 0.750000 Tl\n0.581207 0.351328 0.250000 P\n0.862001 0.686745 0.750000 P\n0.351328 0.581207 0.750000 P\n0.686745 0.862001 0.250000 P\n0.416767 0.116625 0.750000 O\n0.513179 0.653915 0.750000 O\n0.776786 0.899479 0.423761 O\n0.190352 0.060163 0.958776 O\n0.529532 0.073925 0.062538 O\n0.190352 0.060163 0.541224 O\n0.944564 0.000551 0.750000 O\n0.485339 0.272586 0.079683 O\n0.529532 0.073925 0.437462 O\n0.776786 0.899479 0.076239 O\n0.991957 0.285787 0.750000 O\n0.116625 0.416767 0.250000 O\n0.073925 0.529532 0.937462 O\n0.840929 0.235981 0.068415 O\n0.000551 0.944564 0.250000 O\n0.272586 0.485339 0.579683 O\n0.550425 0.700528 0.250000 O\n0.060163 0.190352 0.458776 O\n0.899479 0.776786 0.576239 O\n0.899479 0.776786 0.923761 O\n0.639409 0.957443 0.250000 O\n0.335909 0.703600 0.750000 O\n0.700528 0.550425 0.750000 O\n0.285787 0.991957 0.250000 O\n0.235981 0.840929 0.931585 O\n0.060163 0.190352 0.041224 O\n0.653915 0.513179 0.250000 O\n0.485339 0.272586 0.420317 O\n0.235981 0.840929 0.568415 O\n0.840929 0.235981 0.431585 O\n0.073925 0.529532 0.562538 O\n0.957443 0.639409 0.750000 O\n0.272586 0.485339 0.920317 O\n0.703600 0.335909 0.250000 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Na",
"Nb",
"Tl",
"P",
"O"
],
"chemical_system": "Na-Nb-O-P-Tl",
"density": 5.437785456985239,
"density_atomic": 0.06589925460819912,
"volume": 819.4326373045404,
"volume_molar": 9.13840497256661,
"formula_full": "Na2 Nb8 Tl6 P4 O34",
"formula_reduced": "NaNb4Tl3P2O17",
"formula_anonymous": "AB2C3D4E17",
"energy": -431.41446215,
"energy_per_atom": -7.989156706481482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -408.05646215,
"band_gap": 2.4915000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:03.208000Z",
"spacegroup": 40
},
{
"id": "mp-1198715",
"created_at": "2022-09-04T14:48:31.566827Z",
"structure_string": "Er42 Rh28\n1.0\n-5.568992 5.568992 12.523257\n5.568992 -5.568992 12.523257\n5.568992 5.568992 -12.523257\nEr Rh\n42 28\ndirect\n0.632126 0.504212 0.279131 Er\n0.225081 0.352995 0.720869 Er\n0.132126 0.852995 0.127913 Er\n0.725081 0.004212 0.872087 Er\n0.352995 0.632126 0.127913 Er\n0.504212 0.225081 0.872087 Er\n0.004212 0.132126 0.279131 Er\n0.852995 0.725081 0.720869 Er\n0.367874 0.495788 0.720869 Er\n0.774919 0.647005 0.279131 Er\n0.867874 0.147005 0.872087 Er\n0.274919 0.995788 0.127913 Er\n0.647005 0.367874 0.872087 Er\n0.495788 0.774919 0.127913 Er\n0.995788 0.867874 0.720869 Er\n0.147005 0.274919 0.279131 Er\n0.386273 0.516946 0.290152 Er\n0.226794 0.096121 0.709848 Er\n0.886273 0.596121 0.869327 Er\n0.726794 0.016946 0.130673 Er\n0.096121 0.386273 0.869327 Er\n0.516946 0.226794 0.130673 Er\n0.016946 0.886273 0.290152 Er\n0.596121 0.726794 0.709848 Er\n0.613727 0.483054 0.709848 Er\n0.773206 0.903879 0.290152 Er\n0.113727 0.403879 0.130673 Er\n0.273206 0.983054 0.869327 Er\n0.903879 0.613727 0.130673 Er\n0.483054 0.773206 0.869327 Er\n0.983054 0.113727 0.709848 Er\n0.403879 0.273206 0.290152 Er\n0.849622 0.349622 0.199244 Er\n0.150378 0.650378 0.800756 Er\n0.349622 0.150378 0.500000 Er\n0.650378 0.849622 0.500000 Er\n0.388071 0.888071 0.500000 Er\n0.888071 0.388071 0.500000 Er\n0.611929 0.111929 0.500000 Er\n0.111929 0.611929 0.500000 Er\n0.250000 0.750000 0.500000 Er\n0.750000 0.250000 0.500000 Er\n0.714728 0.214728 0.142079 Rh\n0.072649 0.572649 0.857921 Rh\n0.214728 0.072649 0.500000 Rh\n0.572649 0.714728 0.500000 Rh\n0.285272 0.785272 0.857921 Rh\n0.927351 0.427351 0.142079 Rh\n0.785272 0.927351 0.500000 Rh\n0.427351 0.285272 0.500000 Rh\n0.465865 0.965865 0.808417 Rh\n0.157448 0.657448 0.191583 Rh\n0.965865 0.157448 0.500000 Rh\n0.657448 0.465865 0.500000 Rh\n0.534135 0.034135 0.191583 Rh\n0.842552 0.342552 0.808417 Rh\n0.034135 0.842552 0.500000 Rh\n0.342552 0.534135 0.500000 Rh\n0.596746 0.096746 0.693493 Rh\n0.403254 0.903254 0.306507 Rh\n0.096746 0.403254 0.500000 Rh\n0.903254 0.596746 0.500000 Rh\n0.366456 0.366456 0.000000 Rh\n0.866456 0.866456 0.000000 Rh\n0.633544 0.633544 0.000000 Rh\n0.133544 0.133544 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.750000 0.750000 0.000000 Rh\n",
"nsites": 70,
"nelements": 2,
"elements": [
"Er",
"Rh"
],
"chemical_system": "Er-Rh",
"density": 10.588321502409965,
"density_atomic": 0.045057549394338994,
"volume": 1553.5687346723469,
"volume_molar": 13.365442286474236,
"formula_full": "Er42 Rh28",
"formula_reduced": "Er3Rh2",
"formula_anonymous": "A2B3",
"energy": -454.5690618,
"energy_per_atom": -6.49384374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.5690618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0145711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:03.290000Z",
"spacegroup": 140
},
{
"id": "mp-1187005",
"created_at": "2022-09-04T14:48:31.336678Z",
"structure_string": "Si2 Ag6\n1.0\n2.961703 -5.129820 0.000000\n2.961703 5.129820 0.000000\n0.000000 0.000000 4.569080\nSi Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.170801 0.341602 0.250000 Ag\n0.658398 0.829199 0.250000 Ag\n0.170801 0.829199 0.250000 Ag\n0.829199 0.658398 0.750000 Ag\n0.341602 0.170801 0.750000 Ag\n0.829199 0.170801 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ag"
],
"chemical_system": "Ag-Si",
"density": 8.412727985054694,
"density_atomic": 0.05762190305510273,
"volume": 138.83609488478282,
"volume_molar": 10.451131324560976,
"formula_full": "Si2 Ag6",
"formula_reduced": "SiAg3",
"formula_anonymous": "AB3",
"energy": -26.30203555,
"energy_per_atom": -3.28775444375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.44403555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.292000Z",
"spacegroup": 194
},
{
"id": "mp-1073829",
"created_at": "2022-09-04T14:48:15.894798Z",
"structure_string": "Mg6 Si6\n1.0\n4.428700 0.000000 0.000000\n-1.897556 5.203686 0.000000\n-0.671399 -2.026708 9.629331\nMg Si\n6 6\ndirect\n0.622992 0.201929 0.143929 Mg\n0.055633 0.191018 0.670276 Mg\n0.236938 0.410838 0.377862 Mg\n0.944367 0.808982 0.329724 Mg\n0.763062 0.589162 0.622138 Mg\n0.377008 0.798071 0.856071 Mg\n0.314207 0.597728 0.136548 Si\n0.376747 0.858251 0.577927 Si\n0.685793 0.402272 0.863452 Si\n0.107356 0.206988 0.952117 Si\n0.892644 0.793012 0.047883 Si\n0.623253 0.141749 0.422073 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3521739228437597,
"density_atomic": 0.05407515660381813,
"volume": 221.91336564992412,
"volume_molar": 11.136612703909933,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -41.10134575,
"energy_per_atom": -3.4251121458333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.52734575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.313000Z",
"spacegroup": 2
},
{
"id": "mp-1077933",
"created_at": "2022-09-04T14:48:15.965087Z",
"structure_string": "Gd2 Cu4\n1.0\n-2.175086 3.505576 3.708498\n2.175086 -3.505576 3.708498\n2.175086 3.505576 -3.708498\nGd Cu\n2 4\ndirect\n0.712179 0.462179 0.250000 Gd\n0.287821 0.537821 0.750000 Gd\n0.885787 0.835001 0.050787 Cu\n0.114213 0.164999 0.949213 Cu\n0.715786 0.164999 0.550787 Cu\n0.284214 0.835001 0.449213 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"Cu"
],
"chemical_system": "Cu-Gd",
"density": 8.348842082524154,
"density_atomic": 0.05304658005642533,
"volume": 113.10813993320278,
"volume_molar": 11.352552329658737,
"formula_full": "Gd2 Cu4",
"formula_reduced": "GdCu2",
"formula_anonymous": "AB2",
"energy": -46.06142784,
"energy_per_atom": -7.67690464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.06142784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2933437,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:03.372000Z",
"spacegroup": 74
},
{
"id": "mp-1039914",
"created_at": "2022-09-04T14:48:31.647478Z",
"structure_string": "Ba1 Mg30 Si1 O32\n1.0\n8.724332 0.000000 0.000000\n0.000000 8.724332 0.000000\n0.000000 0.000000 8.621189\nBa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262161 0.000000 0.242980 Mg\n0.262161 0.000000 0.757020 Mg\n0.737839 0.000000 0.242980 Mg\n0.737839 0.000000 0.757020 Mg\n0.251644 0.500000 0.248971 Mg\n0.251644 0.500000 0.751029 Mg\n0.748356 0.500000 0.248971 Mg\n0.748356 0.500000 0.751029 Mg\n0.000000 0.262161 0.242980 Mg\n0.000000 0.262161 0.757020 Mg\n0.500000 0.251644 0.248971 Mg\n0.500000 0.251644 0.751029 Mg\n0.000000 0.737839 0.242980 Mg\n0.000000 0.737839 0.757020 Mg\n0.500000 0.748356 0.248971 Mg\n0.500000 0.748356 0.751029 Mg\n0.251710 0.251710 0.000000 Mg\n0.258141 0.258141 0.500000 Mg\n0.748290 0.251710 0.000000 Mg\n0.741859 0.258141 0.500000 Mg\n0.251710 0.748290 0.000000 Mg\n0.258141 0.741859 0.500000 Mg\n0.748290 0.748290 0.000000 Mg\n0.741859 0.741859 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.267564 0.000000 O\n0.000000 0.278252 0.500000 O\n0.500000 0.253601 0.000000 O\n0.500000 0.256186 0.500000 O\n0.000000 0.732436 0.000000 O\n0.000000 0.721748 0.500000 O\n0.500000 0.746399 0.000000 O\n0.500000 0.743814 0.500000 O\n0.249203 0.249203 0.250456 O\n0.249203 0.249203 0.749544 O\n0.750797 0.249203 0.250456 O\n0.750797 0.249203 0.749544 O\n0.249203 0.750797 0.250456 O\n0.249203 0.750797 0.749544 O\n0.750797 0.750797 0.250456 O\n0.750797 0.750797 0.749544 O\n0.000000 0.000000 0.217289 O\n0.000000 0.000000 0.782711 O\n0.500000 0.000000 0.247094 O\n0.500000 0.000000 0.752906 O\n0.000000 0.500000 0.247094 O\n0.000000 0.500000 0.752906 O\n0.500000 0.500000 0.249252 O\n0.500000 0.500000 0.750748 O\n0.267564 0.000000 0.000000 O\n0.278252 0.000000 0.500000 O\n0.732436 0.000000 0.000000 O\n0.721748 0.000000 0.500000 O\n0.253601 0.500000 0.000000 O\n0.256186 0.500000 0.500000 O\n0.746399 0.500000 0.000000 O\n0.743814 0.500000 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si",
"density": 3.5593497879844107,
"density_atomic": 0.09753229413288922,
"volume": 656.1929109634091,
"volume_molar": 6.174509493024683,
"formula_full": "Ba1 Mg30 Si1 O32",
"formula_reduced": "BaMg30SiO32",
"formula_anonymous": "ABC30D32",
"energy": -398.39507863,
"energy_per_atom": -6.22492310359375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -376.41107863,
"band_gap": 0.6662999999999988,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.391000Z",
"spacegroup": 123
},
{
"id": "mp-20944",
"created_at": "2022-09-04T14:48:15.938065Z",
"structure_string": "Sr4 Pb2 O8\n1.0\n3.558076 0.000000 0.000000\n0.000000 6.238419 0.000000\n0.000000 0.000000 10.238170\nSr Pb O\n4 2 8\ndirect\n0.500000 0.426667 0.818712 Sr\n0.500000 0.573333 0.181288 Sr\n0.500000 0.926667 0.681288 Sr\n0.500000 0.073333 0.318712 Sr\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.135472 0.806306 O\n0.000000 0.864528 0.193694 O\n0.000000 0.635472 0.693694 O\n0.000000 0.364528 0.306306 O\n0.500000 0.274497 0.551355 O\n0.500000 0.725503 0.448645 O\n0.500000 0.225503 0.051355 O\n0.500000 0.774497 0.948645 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sr",
"density": 6.524207429649726,
"density_atomic": 0.06160499664825788,
"volume": 227.2542936725556,
"volume_molar": 9.775409605789337,
"formula_full": "Sr4 Pb2 O8",
"formula_reduced": "Sr2PbO4",
"formula_anonymous": "AB2C4",
"energy": -88.30344190999999,
"energy_per_atom": -6.307388707857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.80744191,
"band_gap": 1.3966000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.09e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:03.396000Z",
"spacegroup": 55
},
{
"id": "mp-1208722",
"created_at": "2022-09-04T14:48:17.123171Z",
"structure_string": "Sr8 Pd2\n1.0\n-6.321830 -6.321830 0.000000\n-6.321830 0.000000 -6.321830\n0.000000 -6.321830 -6.321830\nSr Pd\n8 2\ndirect\n0.619408 0.619408 0.619408 Sr\n0.141775 0.619408 0.619408 Sr\n0.619408 0.141775 0.619408 Sr\n0.608225 0.130592 0.130592 Sr\n0.130592 0.130592 0.130592 Sr\n0.619408 0.619408 0.141775 Sr\n0.130592 0.608225 0.130592 Sr\n0.130592 0.130592 0.608225 Sr\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Pd"
],
"chemical_system": "Pd-Sr",
"density": 3.002906543632049,
"density_atomic": 0.01978980728947986,
"volume": 505.310630554545,
"volume_molar": 30.430517447238273,
"formula_full": "Sr8 Pd2",
"formula_reduced": "Sr4Pd",
"formula_anonymous": "AB4",
"energy": -24.350607010000004,
"energy_per_atom": -2.4350607010000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.350607010000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.433000Z",
"spacegroup": 227
},
{
"id": "mp-1235221",
"created_at": "2022-09-04T14:48:14.226373Z",
"structure_string": "Li1 Eu2 Co1 O4\n1.0\n2.641284 -2.642076 0.009636\n-0.013536 2.599746 8.407670\n0.037507 -5.246027 0.016779\nLi Eu Co O\n1 2 1 4\ndirect\n0.999088 0.001109 0.501021 Li\n0.997190 0.655321 0.327910 Eu\n0.998338 0.345959 0.675338 Eu\n0.998991 0.001025 0.001039 Co\n0.996433 0.383994 0.194781 O\n0.499002 0.001473 0.501280 O\n0.498994 0.000665 0.000802 O\n0.997927 0.617341 0.808657 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Eu",
"Co",
"O"
],
"chemical_system": "Co-Eu-Li-O",
"density": 6.221643205822598,
"density_atomic": 0.0690965954133922,
"volume": 115.77994475903586,
"volume_molar": 8.715539056549229,
"formula_full": "Li1 Eu2 Co1 O4",
"formula_reduced": "LiEu2CoO4",
"formula_anonymous": "ABC2D4",
"energy": -67.28159061,
"energy_per_atom": -8.41019882625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.89559061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.3707291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:03.452000Z",
"spacegroup": 139
},
{
"id": "mp-1095673",
"created_at": "2022-09-04T14:48:19.353687Z",
"structure_string": "Cr4 Co4 Si4\n1.0\n3.600665 0.000000 0.000000\n0.000000 5.755630 0.000000\n0.000000 0.000000 6.717161\nCr Co Si\n4 4 4\ndirect\n0.250000 0.026084 0.321616 Cr\n0.250000 0.526084 0.178384 Cr\n0.750000 0.973916 0.678384 Cr\n0.750000 0.473916 0.821616 Cr\n0.250000 0.145538 0.942252 Co\n0.250000 0.645538 0.557748 Co\n0.750000 0.854462 0.057748 Co\n0.750000 0.354462 0.442252 Co\n0.250000 0.260627 0.624824 Si\n0.250000 0.760627 0.875176 Si\n0.750000 0.739373 0.375176 Si\n0.750000 0.239373 0.124824 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Si"
],
"chemical_system": "Co-Cr-Si",
"density": 6.632981252480177,
"density_atomic": 0.0862025083905942,
"volume": 139.20708601223666,
"volume_molar": 6.986038889625969,
"formula_full": "Cr4 Co4 Si4",
"formula_reduced": "CrCoSi",
"formula_anonymous": "ABC",
"energy": -92.79310133,
"energy_per_atom": -7.732758444166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.07710133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9831189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:03.481000Z",
"spacegroup": 62
}
]
}