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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=25",
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"results": [
{
"id": "mp-1096236",
"created_at": "2022-09-04T14:41:22.901171Z",
"structure_string": "Ba2 Ga1 Hg1\n1.0\n-6.824689 6.919959 9.552362\n6.824689 -6.919959 9.552362\n6.824689 6.919959 -9.552362\nBa Ga Hg\n2 1 1\ndirect\n0.231248 0.000000 0.231248 Ba\n0.768752 0.000000 0.768752 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ba-Ga-Hg",
"density": 0.5014898550690652,
"density_atomic": 0.0022166791735878113,
"volume": 1804.5010968031927,
"volume_molar": 271.6739901630803,
"formula_full": "Ba2 Ga1 Hg1",
"formula_reduced": "Ba2GaHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:11.568000Z",
"spacegroup": 71
},
{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 0.07632930061378769,
"density_atomic": 0.0007681409603742695,
"volume": 7811.066340058934,
"volume_molar": 783.9890164255487,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy": -4.82832814,
"energy_per_atom": -0.8047213566666667,
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"energy_uncorrected": -4.82832814,
"band_gap": 0.1720999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0008309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
},
{
"id": "mp-1093547",
"created_at": "2022-09-04T14:41:05.888961Z",
"structure_string": "Ba2 Ag1 Hg1\n1.0\n-6.749469 7.046744 9.541310\n6.749469 -7.046744 9.541310\n6.749469 7.046744 -9.541310\nBa Ag Hg\n2 1 1\ndirect\n0.764543 0.000000 0.764543 Ba\n0.235457 0.000000 0.235457 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Hg"
],
"chemical_system": "Ag-Ba-Hg",
"density": 0.5334271621972856,
"density_atomic": 0.002203605726012615,
"volume": 1815.2067553563352,
"volume_molar": 273.28576473146836,
"formula_full": "Ba2 Ag1 Hg1",
"formula_reduced": "Ba2AgHg",
"formula_anonymous": "ABC2",
"energy": -3.21890947,
"energy_per_atom": -0.8047273675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -3.21890947,
"band_gap": 0.1757000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0056708,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.585000Z",
"spacegroup": 71
},
{
"id": "mp-1179586",
"created_at": "2022-09-04T14:41:01.976658Z",
"structure_string": "U2 Zn17\n1.0\n16.135115 9.261185 0.000000\n-16.135115 9.261185 0.000000\n0.000000 3.917777 12.065003\nU Zn\n2 17\ndirect\n0.655108 0.655108 0.353322 U\n0.344892 0.344892 0.646678 U\n0.198082 0.198082 0.094300 Zn\n0.801918 0.801918 0.905700 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.296868 0.703132 0.000000 Zn\n0.703132 0.296868 0.000000 Zn\n0.998747 0.298418 0.413068 Zn\n0.001253 0.701582 0.586932 Zn\n0.701582 0.001253 0.586932 Zn\n0.298418 0.998747 0.413068 Zn\n0.794598 0.794598 0.134238 Zn\n0.286544 0.804504 0.160552 Zn\n0.804504 0.286544 0.160552 Zn\n0.205402 0.205402 0.865762 Zn\n0.713456 0.195496 0.839448 Zn\n0.195496 0.713456 0.839448 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 0.7313183992234826,
"density_atomic": 0.005269356067639977,
"volume": 3605.7536739037755,
"volume_molar": 114.28608510597725,
"formula_full": "U2 Zn17",
"formula_reduced": "U2Zn17",
"formula_anonymous": "A2B17",
"energy": -15.29596548,
"energy_per_atom": -0.805050814736842,
"energy_above_hull": null,
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"energy_uncorrected": -15.29596548,
"band_gap": 0.0276999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.446000Z",
"spacegroup": 12
},
{
"id": "mp-1209515",
"created_at": "2022-09-04T14:47:43.576158Z",
"structure_string": "Sr11 Hg54\n1.0\n6.822274 -11.816526 0.000000\n6.822274 11.816526 0.000000\n0.000000 0.000000 11.214320\nSr Hg\n11 54\ndirect\n0.570504 0.695701 0.000000 Sr\n0.125197 0.429496 0.000000 Sr\n0.304299 0.874803 0.000000 Sr\n0.666667 0.333333 0.816302 Sr\n0.666667 0.333333 0.183698 Sr\n0.538010 0.950188 0.500000 Sr\n0.412178 0.461990 0.500000 Sr\n0.049812 0.587822 0.500000 Sr\n0.795671 0.750542 0.500000 Sr\n0.954870 0.204329 0.500000 Sr\n0.249458 0.045130 0.500000 Sr\n0.758584 0.952584 0.646179 Hg\n0.194000 0.241416 0.646179 Hg\n0.758584 0.952584 0.353821 Hg\n0.047416 0.806000 0.646179 Hg\n0.194000 0.241416 0.353821 Hg\n0.047416 0.806000 0.353821 Hg\n0.892518 0.492118 0.000000 Hg\n0.599600 0.107482 0.000000 Hg\n0.507882 0.400400 0.000000 Hg\n0.652837 0.454108 0.500000 Hg\n0.801270 0.347163 0.500000 Hg\n0.545892 0.198730 0.500000 Hg\n0.609888 0.549586 0.737813 Hg\n0.939698 0.390112 0.737813 Hg\n0.609888 0.549586 0.262187 Hg\n0.450414 0.060302 0.737813 Hg\n0.939698 0.390112 0.262187 Hg\n0.450414 0.060302 0.262187 Hg\n0.540775 0.900693 0.825250 Hg\n0.359918 0.459225 0.825250 Hg\n0.540775 0.900693 0.174750 Hg\n0.099307 0.640082 0.825250 Hg\n0.359918 0.459225 0.174750 Hg\n0.099307 0.640082 0.174750 Hg\n0.333333 0.666667 0.500000 Hg\n0.852031 0.583797 0.718136 Hg\n0.731766 0.147969 0.718136 Hg\n0.852031 0.583797 0.281864 Hg\n0.416203 0.268234 0.718136 Hg\n0.731766 0.147969 0.281864 Hg\n0.416203 0.268234 0.281864 Hg\n0.824014 0.805037 0.815651 Hg\n0.981024 0.175986 0.815651 Hg\n0.824014 0.805037 0.184349 Hg\n0.194963 0.018976 0.815651 Hg\n0.981024 0.175986 0.184349 Hg\n0.194963 0.018976 0.184349 Hg\n0.000000 0.000000 0.645133 Hg\n0.000000 0.000000 0.354867 Hg\n0.768326 0.988791 0.000000 Hg\n0.220465 0.231674 0.000000 Hg\n0.011209 0.779535 0.000000 Hg\n0.333333 0.666667 0.846250 Hg\n0.333333 0.666667 0.153750 Hg\n0.750487 0.598836 0.000000 Hg\n0.848349 0.249513 0.000000 Hg\n0.401164 0.151651 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.548014 0.722119 0.648015 Hg\n0.174105 0.451986 0.648015 Hg\n0.548014 0.722119 0.351985 Hg\n0.277881 0.825895 0.648015 Hg\n0.174105 0.451986 0.351985 Hg\n0.277881 0.825895 0.351985 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.833035512852746,
"density_atomic": 0.03594938323213658,
"volume": 1808.0977795995652,
"volume_molar": 16.751722056295446,
"formula_full": "Sr11 Hg54",
"formula_reduced": "Sr11Hg54",
"formula_anonymous": "A11B54",
"energy": -52.51859195,
"energy_per_atom": -0.8079783376923078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.51859195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.060000Z",
"spacegroup": 174
},
{
"id": "mp-1093660",
"created_at": "2022-09-04T14:48:28.490433Z",
"structure_string": "Li1 Mg2 In1\n1.0\n-5.866142 5.920438 8.479989\n5.866142 -5.920438 8.479989\n5.866142 5.920438 -8.479989\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.249155 0.249155 Mg\n0.000000 0.750845 0.750845 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"In"
],
"chemical_system": "In-Li-Mg",
"density": 0.24014745164841006,
"density_atomic": 0.0033954575245069133,
"volume": 1178.0444818201277,
"volume_molar": 177.35874227655174,
"formula_full": "Li1 Mg2 In1",
"formula_reduced": "LiMg2In",
"formula_anonymous": "ABC2",
"energy": -3.23244003,
"energy_per_atom": -0.8081100075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.23244003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5113065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:21.962000Z",
"spacegroup": 71
},
{
"id": "mp-1093771",
"created_at": "2022-09-04T14:43:00.799667Z",
"structure_string": "Sr2 Zn1 Ag1\n1.0\n-6.536265 6.721546 9.241152\n6.536265 -6.721546 9.241152\n6.536265 6.721546 -9.241152\nSr Zn Ag\n2 1 1\ndirect\n0.263811 0.000000 0.263811 Sr\n0.736189 0.000000 0.736189 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Zn",
"Ag"
],
"chemical_system": "Ag-Sr-Zn",
"density": 0.3563595337811546,
"density_atomic": 0.0024630603876534254,
"volume": 1623.9959117733315,
"volume_molar": 244.4982993590886,
"formula_full": "Sr2 Zn1 Ag1",
"formula_reduced": "Sr2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.24057299,
"energy_per_atom": -0.8101432475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.24057299,
"band_gap": 0.0,
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"total_magnetization": 0.000124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.242000Z",
"spacegroup": 71
},
{
"id": "mp-1093539",
"created_at": "2022-09-04T14:39:39.871500Z",
"structure_string": "Ca2 Al1 Zn1\n1.0\n-6.090680 6.122124 8.590928\n6.090680 -6.122124 8.590928\n6.090680 6.122124 -8.590928\nCa Al Zn\n2 1 1\ndirect\n0.240109 0.000000 0.240109 Ca\n0.759891 0.000000 0.759891 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
"Ca",
"Al",
"Zn"
],
"chemical_system": "Al-Ca-Zn",
"density": 0.22360801897211968,
"density_atomic": 0.0031217061245184807,
"volume": 1281.3505949785697,
"volume_molar": 192.91184114676742,
"formula_full": "Ca2 Al1 Zn1",
"formula_reduced": "Ca2AlZn",
"formula_anonymous": "ABC2",
"energy": -3.24241091,
"energy_per_atom": -0.8106027275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -3.24241091,
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"total_magnetization": 1.7726946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.402000Z",
"spacegroup": 71
},
{
"id": "mp-1193593",
"created_at": "2022-09-04T14:43:53.475955Z",
"structure_string": "Ba4 Hg24\n1.0\n5.640777 0.000000 0.000000\n0.000000 10.505671 0.000000\n0.000000 0.000000 13.982306\nBa Hg\n4 24\ndirect\n0.250000 0.144443 0.818528 Ba\n0.250000 0.355557 0.318528 Ba\n0.750000 0.855557 0.181472 Ba\n0.750000 0.644443 0.681472 Ba\n0.250000 0.887940 0.003843 Hg\n0.250000 0.612060 0.503843 Hg\n0.750000 0.112060 0.996157 Hg\n0.750000 0.387940 0.496157 Hg\n0.250000 0.787610 0.804494 Hg\n0.250000 0.712390 0.304494 Hg\n0.750000 0.212390 0.195506 Hg\n0.750000 0.287610 0.695506 Hg\n0.250000 0.509666 0.852169 Hg\n0.250000 0.990334 0.352169 Hg\n0.750000 0.490334 0.147831 Hg\n0.750000 0.009666 0.647831 Hg\n0.250000 0.401606 0.645140 Hg\n0.250000 0.098394 0.145140 Hg\n0.750000 0.598394 0.354860 Hg\n0.750000 0.901606 0.854860 Hg\n0.250000 0.868797 0.596588 Hg\n0.250000 0.631203 0.096588 Hg\n0.750000 0.131203 0.403412 Hg\n0.750000 0.368797 0.903412 Hg\n0.250000 0.150004 0.541036 Hg\n0.250000 0.349996 0.041036 Hg\n0.750000 0.849996 0.458964 Hg\n0.750000 0.650004 0.958964 Hg\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg",
"density": 10.748633676352057,
"density_atomic": 0.03379220273101383,
"volume": 828.5935138019913,
"volume_molar": 17.821095617637834,
"formula_full": "Ba4 Hg24",
"formula_reduced": "BaHg6",
"formula_anonymous": "AB6",
"energy": -22.75094896,
"energy_per_atom": -0.8125338914285714,
"energy_above_hull": null,
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"decomposes_to": null,
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"energy_uncorrected": -22.75094896,
"band_gap": 0.0,
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"total_magnetization": 0.0123039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.934000Z",
"spacegroup": 62
},
{
"id": "mp-1097594",
"created_at": "2022-09-04T14:46:27.740081Z",
"structure_string": "Ca2 Cd1 Ga1\n1.0\n-6.201449 6.461740 9.135863\n6.201449 -6.461740 9.135863\n6.201449 6.461740 -9.135863\nCa Cd Ga\n2 1 1\ndirect\n0.000000 0.231135 0.231135 Ca\n0.000000 0.768865 0.768865 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ga"
],
"chemical_system": "Ca-Cd-Ga",
"density": 0.2974257771590792,
"density_atomic": 0.0027315412655051236,
"volume": 1464.374728843904,
"volume_molar": 220.46676856212054,
"formula_full": "Ca2 Cd1 Ga1",
"formula_reduced": "Ca2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.25160176,
"energy_per_atom": -0.81290044,
"energy_above_hull": null,
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"energy_uncorrected": -3.25160176,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8955582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.325000Z",
"spacegroup": 71
},
{
"id": "mp-1219820",
"created_at": "2022-09-04T14:42:08.179644Z",
"structure_string": "Sr21 Hg109\n1.0\n-0.001838 -0.005383 -9.924272\n-6.647534 -11.807974 -0.007418\n-22.912601 13.564138 0.003402\nSr Hg\n21 109\ndirect\n0.497728 0.582113 0.374970 Sr\n0.500720 0.080090 0.870818 Sr\n0.500984 0.150029 0.092106 Sr\n0.504857 0.650434 0.594497 Sr\n0.498908 0.771399 0.019319 Sr\n0.501143 0.272427 0.522240 Sr\n0.501590 0.938469 0.469805 Sr\n0.500360 0.438248 0.967543 Sr\n0.500364 0.824805 0.230062 Sr\n0.501364 0.327320 0.731433 Sr\n0.500945 0.236921 0.302941 Sr\n0.501070 0.738069 0.801342 Sr\n0.206438 0.496388 0.165316 Sr\n0.181811 0.995297 0.666269 Sr\n0.792083 0.496294 0.165432 Sr\n0.999476 0.776525 0.352710 Sr\n0.999314 0.275836 0.852533 Sr\n0.999171 0.084702 0.215764 Sr\n0.000575 0.587900 0.715980 Sr\n0.999247 0.129600 0.433123 Sr\n0.999067 0.628113 0.931965 Sr\n0.334515 0.716390 0.473615 Hg\n0.334306 0.214798 0.971970 Hg\n0.342052 0.937162 0.121216 Hg\n0.348780 0.432565 0.621635 Hg\n0.335906 0.367735 0.405231 Hg\n0.337604 0.868286 0.905298 Hg\n0.670146 0.717348 0.475244 Hg\n0.661449 0.214446 0.972950 Hg\n0.656452 0.936198 0.121303 Hg\n0.667093 0.428690 0.623257 Hg\n0.663051 0.369610 0.405307 Hg\n0.666889 0.869228 0.904234 Hg\n0.501655 -0.000665 0.333814 Hg\n0.499940 0.501405 0.833425 Hg\n0.165766 0.993511 0.332468 Hg\n0.165506 0.492334 0.833026 Hg\n0.834747 0.992273 0.331933 Hg\n0.834833 0.492553 0.832812 Hg\n0.297270 0.433067 0.291852 Hg\n0.297756 0.934398 0.791093 Hg\n0.299430 0.344836 0.066825 Hg\n0.293710 0.841611 0.569134 Hg\n0.301370 0.724448 0.135030 Hg\n0.296711 0.221866 0.636974 Hg\n0.701369 0.435068 0.291681 Hg\n0.699430 0.935623 0.787680 Hg\n0.698866 0.344099 0.066930 Hg\n0.696560 0.855813 0.571721 Hg\n0.699868 0.723939 0.133090 Hg\n0.707721 0.209257 0.637231 Hg\n0.261121 0.666455 0.278252 Hg\n0.260969 0.165004 0.777145 Hg\n0.271600 0.248704 0.197255 Hg\n0.266013 0.748524 0.696847 Hg\n0.253650 0.581398 0.024664 Hg\n0.254840 0.082088 0.522936 Hg\n0.738480 0.666595 0.277901 Hg\n0.736462 0.163354 0.778603 Hg\n0.729476 0.248687 0.198028 Hg\n0.732259 0.758580 0.695477 Hg\n0.742935 0.583292 0.023702 Hg\n0.742624 0.084762 0.526279 Hg\n0.168324 0.913217 0.444851 Hg\n0.165772 0.411866 0.945672 Hg\n0.161460 0.866688 0.233838 Hg\n0.161675 0.368305 0.734482 Hg\n0.163832 0.215197 0.318226 Hg\n0.169734 0.713273 0.819920 Hg\n0.832541 0.913947 0.444540 Hg\n0.836601 0.411920 0.946275 Hg\n0.836973 0.866357 0.233241 Hg\n0.836118 0.367419 0.734859 Hg\n0.835876 0.215307 0.319041 Hg\n0.833786 0.713812 0.820091 Hg\n0.498834 0.574980 0.221936 Hg\n0.500087 0.080733 0.715439 Hg\n0.500521 0.370980 0.167031 Hg\n0.492084 0.877268 0.669040 Hg\n0.499951 0.551446 0.093109 Hg\n0.491832 0.051046 0.593046 Hg\n0.165746 0.572937 0.399871 Hg\n0.168658 0.069707 0.898570 Hg\n0.162921 0.115958 0.095553 Hg\n0.168523 0.607438 0.594626 Hg\n0.162114 0.812858 0.010492 Hg\n0.166488 0.315484 0.509504 Hg\n0.831022 0.570351 0.397444 Hg\n0.832534 0.072065 0.900239 Hg\n0.840741 0.113179 0.095887 Hg\n0.838504 0.615794 0.595751 Hg\n0.836121 0.811673 0.009109 Hg\n0.837103 0.314038 0.509013 Hg\n0.344109 0.807519 0.361693 Hg\n0.346289 0.306292 0.860870 Hg\n0.345988 0.049656 0.228259 Hg\n0.348114 0.550227 0.726648 Hg\n0.345415 0.141195 0.414195 Hg\n0.341796 0.641795 0.915381 Hg\n0.652025 0.805455 0.361879 Hg\n0.653821 0.307672 0.862209 Hg\n0.652472 0.049437 0.227195 Hg\n0.655885 0.555029 0.725697 Hg\n0.658895 0.142199 0.415348 Hg\n0.655195 0.642130 0.914403 Hg\n0.000447 0.736764 0.500697 Hg\n0.999027 0.236761 0.001945 Hg\n0.000691 0.895895 0.116879 Hg\n0.998527 0.397538 0.617046 Hg\n0.002225 0.365115 0.394496 Hg\n0.002045 0.864514 0.895010 Hg\n0.999101 0.347815 0.246369 Hg\n0.998937 0.843829 0.750099 Hg\n0.997632 0.447116 0.051939 Hg\n0.997484 0.946771 0.548841 Hg\n0.999019 0.684269 0.198759 Hg\n0.994514 0.187958 0.696759 Hg\n0.001887 0.015944 0.999953 Hg\n0.998796 0.516155 0.499755 Hg\n0.001780 0.546213 0.295245 Hg\n0.998032 0.045180 0.795398 Hg\n0.998571 0.296082 0.133016 Hg\n0.002032 0.793201 0.631012 Hg\n0.999522 0.665017 0.084515 Hg\n0.005754 0.166798 0.581672 Hg\n0.337903 0.001581 0.005646 Hg\n0.342240 0.503014 0.505339 Hg\n0.664204 0.001949 0.006958 Hg\n0.665382 0.502411 0.507199 Hg\n0.809372 0.992054 0.666450 Hg\n",
"nsites": 130,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.995340522147641,
"density_atomic": 0.03631409740617176,
"volume": 3579.8769427188313,
"volume_molar": 16.583479117331738,
"formula_full": "Sr21 Hg109",
"formula_reduced": "Sr21Hg109",
"formula_anonymous": "A21B109",
"energy": -105.73658013,
"energy_per_atom": -0.8133583086923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.73658013,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.500000Z",
"spacegroup": 1
},
{
"id": "mp-1095784",
"created_at": "2022-09-04T14:48:08.884858Z",
"structure_string": "Li1 Al1 Zn2\n1.0\n-5.311388 5.322754 7.526007\n5.311388 -5.322754 7.526007\n5.311388 5.322754 -7.526007\nLi Al Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.249880 0.249880 Zn\n0.000000 0.750120 0.750120 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Zn"
],
"chemical_system": "Al-Li-Zn",
"density": 0.32142566175254844,
"density_atomic": 0.004699925339734008,
"volume": 851.0773492896335,
"volume_molar": 128.13268987674647,
"formula_full": "Li1 Al1 Zn2",
"formula_reduced": "LiAlZn2",
"formula_anonymous": "ABC2",
"energy": -3.25380539,
"energy_per_atom": -0.8134513475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25380539,
"band_gap": 0.1497999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.999738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.739000Z",
"spacegroup": 71
}
]
}