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=-density_atomic&page=10140",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10138",
"results": [
{
"id": "mp-1100409",
"created_at": "2022-09-04T14:48:28.117112Z",
"structure_string": "Li1 Ca1 Sb1\n1.0\n0.000000 3.349095 3.349095\n3.349095 0.000000 3.349095\n3.349095 3.349095 0.000000\nLi Ca Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Sb"
],
"chemical_system": "Ca-Li-Sb",
"density": 3.7303974934574033,
"density_atomic": 0.03993087790089125,
"volume": 75.12982828592007,
"volume_molar": 15.081413373748008,
"formula_full": "Li1 Ca1 Sb1",
"formula_reduced": "LiCaSb",
"formula_anonymous": "ABC",
"energy": -10.57231749,
"energy_per_atom": -3.52410583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.38031749,
"band_gap": 0.9841000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:30.911000Z",
"spacegroup": 216
},
{
"id": "mp-206",
"created_at": "2022-09-04T14:45:55.451238Z",
"structure_string": "Tb10 Si6\n1.0\n4.246529 -7.355204 0.000000\n4.246529 7.355204 0.000000\n0.000000 0.000000 6.414402\nTb Si\n10 6\ndirect\n0.000000 0.756597 0.750000 Tb\n0.000000 0.243403 0.250000 Tb\n0.756597 0.756597 0.250000 Tb\n0.756597 0.000000 0.750000 Tb\n0.243403 0.243403 0.750000 Tb\n0.243403 0.000000 0.250000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.000000 Tb\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.000000 Tb\n0.394404 0.000000 0.750000 Si\n0.394404 0.394404 0.250000 Si\n0.000000 0.605596 0.250000 Si\n0.000000 0.394404 0.750000 Si\n0.605596 0.605596 0.750000 Si\n0.605596 0.000000 0.250000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 7.284425297518473,
"density_atomic": 0.039930522751476634,
"volume": 400.6959813569763,
"volume_molar": 15.081547510612793,
"formula_full": "Tb10 Si6",
"formula_reduced": "Tb5Si3",
"formula_anonymous": "A3B5",
"energy": -89.18213704,
"energy_per_atom": -5.573883565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.60813704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0299582,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.871000Z",
"spacegroup": 193
},
{
"id": "mp-1210749",
"created_at": "2022-09-04T14:45:23.188111Z",
"structure_string": "Lu7 Te2 Ru2\n1.0\n-1.939538 4.600873 7.717893\n1.939538 -4.600873 7.717893\n1.939538 4.600873 -7.717893\nLu Te Ru\n7 2 2\ndirect\n0.617331 0.352215 0.265116 Lu\n0.912901 0.647785 0.265116 Lu\n0.998153 0.000000 0.998153 Lu\n0.550537 0.134472 0.416065 Lu\n0.281593 0.865528 0.416065 Lu\n0.939831 0.314047 0.625785 Lu\n0.311738 0.685953 0.625785 Lu\n0.262714 0.500000 0.762714 Te\n0.660678 0.000000 0.660678 Te\n0.164814 0.237122 0.927692 Ru\n0.690570 0.762878 0.927692 Ru\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Lu",
"Te",
"Ru"
],
"chemical_system": "Lu-Ru-Te",
"density": 10.139252747228449,
"density_atomic": 0.03992964070267754,
"volume": 275.4845725236486,
"volume_molar": 15.081880663144002,
"formula_full": "Lu7 Te2 Ru2",
"formula_reduced": "Lu7(TeRu)2",
"formula_anonymous": "A2B2C7",
"energy": -64.41756526,
"energy_per_atom": -5.856142296363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.41756526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3714792,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.533000Z",
"spacegroup": 44
},
{
"id": "mp-1201009",
"created_at": "2022-09-04T14:44:30.295226Z",
"structure_string": "S8 N8 O32\n1.0\n5.054242 0.000000 0.000000\n0.000000 16.508663 0.000000\n0.000000 8.285986 14.407582\nS N O\n8 8 32\ndirect\n0.041199 0.109700 0.550739 S\n0.958801 0.109700 0.050739 S\n0.979688 0.539522 0.334718 S\n0.020312 0.539522 0.834718 S\n0.456575 0.756343 0.517621 S\n0.543425 0.756343 0.017621 S\n0.520801 0.326541 0.734611 S\n0.479199 0.326541 0.234611 S\n0.109988 0.105107 0.802309 N\n0.890012 0.105107 0.302309 N\n0.952343 0.537764 0.582125 N\n0.047657 0.537764 0.082125 N\n0.388963 0.744864 0.284839 N\n0.611037 0.744864 0.784839 N\n0.551717 0.322479 0.493496 N\n0.448283 0.322479 0.993496 N\n0.133022 0.032644 0.641556 O\n0.866978 0.032644 0.141556 O\n0.008037 0.188469 0.568004 O\n0.991963 0.188469 0.068004 O\n0.794459 0.085008 0.519873 O\n0.205541 0.085008 0.019873 O\n0.228217 0.130118 0.474118 O\n0.771783 0.130118 0.974118 O\n0.049484 0.463700 0.429279 O\n0.950516 0.463700 0.929279 O\n0.871555 0.612621 0.352378 O\n0.128445 0.612621 0.852378 O\n0.787359 0.509423 0.287764 O\n0.212641 0.509423 0.787764 O\n0.209747 0.571640 0.271356 O\n0.790253 0.571640 0.771356 O\n0.370829 0.842691 0.433273 O\n0.629171 0.842691 0.933273 O\n0.443896 0.672950 0.506625 O\n0.556104 0.672950 0.006625 O\n0.737517 0.759052 0.541000 O\n0.262483 0.759052 0.041000 O\n0.275409 0.750145 0.590663 O\n0.724591 0.750145 0.090663 O\n0.438115 0.403423 0.642241 O\n0.561885 0.403423 0.142241 O\n0.618981 0.254464 0.713933 O\n0.381019 0.254464 0.213933 O\n0.723273 0.355317 0.779725 O\n0.276727 0.355317 0.279725 O\n0.300278 0.292015 0.802755 O\n0.699722 0.292015 0.302755 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"S",
"N",
"O"
],
"chemical_system": "N-O-S",
"density": 1.216315537266796,
"density_atomic": 0.039928427144682345,
"volume": 1202.1510345516483,
"volume_molar": 15.082339051770104,
"formula_full": "S8 N8 O32",
"formula_reduced": "SNO4",
"formula_anonymous": "ABC4",
"energy": -261.29951668,
"energy_per_atom": -5.443739930833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.31551668000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.930921,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.840000Z",
"spacegroup": 7
},
{
"id": "mp-21122",
"created_at": "2022-09-04T14:39:44.401775Z",
"structure_string": "Nd2 Sb4 Pd2\n1.0\n4.486470 0.000000 0.000000\n0.000000 4.486470 0.000000\n0.000000 0.000000 9.954336\nNd Sb Pd\n2 4 2\ndirect\n0.500000 0.000000 0.246850 Nd\n0.000000 0.500000 0.753150 Nd\n0.500000 0.000000 0.845202 Sb\n0.000000 0.500000 0.154798 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Sb",
"Pd"
],
"chemical_system": "Nd-Pd-Sb",
"density": 8.191136887743651,
"density_atomic": 0.0399271356216676,
"volume": 200.36498675498703,
"volume_molar": 15.082826920175846,
"formula_full": "Nd2 Sb4 Pd2",
"formula_reduced": "NdSb2Pd",
"formula_anonymous": "ABC2",
"energy": -43.96967243,
"energy_per_atom": -5.49620905375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.20167243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010032,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.746000Z",
"spacegroup": 129
},
{
"id": "mp-1186840",
"created_at": "2022-09-04T14:45:54.727276Z",
"structure_string": "Pu6 Au2\n1.0\n6.594940 -0.002828 -0.000234\n-3.299920 5.705507 -0.000353\n-0.000190 -0.000440 5.326383\nPu Au\n6 2\ndirect\n0.172373 0.344592 0.250013 Pu\n0.655374 0.827625 0.250003 Pu\n0.172302 0.827718 0.249994 Pu\n0.827600 0.655200 0.749984 Pu\n0.344746 0.172436 0.749996 Pu\n0.827706 0.172453 0.750007 Pu\n0.333291 0.666677 0.750036 Au\n0.666604 0.333296 0.249963 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pu",
"Au"
],
"chemical_system": "Au-Pu",
"density": 15.397472024738574,
"density_atomic": 0.039926407260488586,
"volume": 200.36864193179855,
"volume_molar": 15.083102070041615,
"formula_full": "Pu6 Au2",
"formula_reduced": "Pu3Au",
"formula_anonymous": "AB3",
"energy": -92.87246437,
"energy_per_atom": -11.60905804625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.87246437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.1499137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.006000Z",
"spacegroup": 194
},
{
"id": "mp-23231",
"created_at": "2022-09-04T14:42:48.448871Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 2.925814 2.925814\n2.925814 0.000000 2.925814\n2.925814 2.925814 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 6.224582901346875,
"density_atomic": 0.03992637293183357,
"volume": 50.0922035521385,
"volume_molar": 15.083115038477503,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
"formula_anonymous": "AB",
"energy": -5.66352725,
"energy_per_atom": -2.831763625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12952725,
"band_gap": 0.7303999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.807000Z",
"spacegroup": 225
},
{
"id": "mp-1053",
"created_at": "2022-09-04T14:46:42.546645Z",
"structure_string": "Nd1 Zn1\n1.0\n3.686336 0.000000 0.000000\n0.000000 3.686336 0.000000\n0.000000 0.000000 3.686336\nNd Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Zn"
],
"chemical_system": "Nd-Zn",
"density": 6.949623598181723,
"density_atomic": 0.03992502926456925,
"volume": 50.09388939320989,
"volume_molar": 15.083622657089048,
"formula_full": "Nd1 Zn1",
"formula_reduced": "NdZn",
"formula_anonymous": "AB",
"energy": -6.65726517,
"energy_per_atom": -3.328632585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65726517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0523514,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.226000Z",
"spacegroup": 221
},
{
"id": "mp-1221153",
"created_at": "2022-09-04T14:40:44.012430Z",
"structure_string": "Na8 Sr4 Si2 P8\n1.0\n8.060514 4.673939 0.000000\n-8.060514 4.673939 0.000000\n0.000000 0.070062 7.313103\nNa Sr Si P\n8 4 2 8\ndirect\n0.053205 0.526446 0.612715 Na\n0.526446 0.053205 0.112715 Na\n0.279751 0.136506 0.803949 Na\n0.866294 0.713638 0.782250 Na\n0.861977 0.151120 0.787935 Na\n0.713638 0.866294 0.282250 Na\n0.136506 0.279751 0.303949 Na\n0.151120 0.861977 0.287935 Na\n0.469730 0.948827 0.614077 Sr\n0.465968 0.521163 0.613754 Sr\n0.948827 0.469730 0.114077 Sr\n0.521163 0.465968 0.113754 Sr\n0.673347 0.337658 0.499110 Si\n0.337658 0.673347 0.999110 Si\n0.661725 0.336733 0.815752 P\n0.336733 0.661725 0.315752 P\n0.608138 0.802224 0.895900 P\n0.196456 0.394945 0.907621 P\n0.194197 0.799780 0.902954 P\n0.394945 0.196456 0.407621 P\n0.802224 0.608138 0.395900 P\n0.799780 0.194197 0.402954 P\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Si",
"P"
],
"chemical_system": "Na-P-Si-Sr",
"density": 2.526398154895429,
"density_atomic": 0.03992502697628857,
"volume": 551.0328149074458,
"volume_molar": 15.083623521598476,
"formula_full": "Na8 Sr4 Si2 P8",
"formula_reduced": "Na4Sr2SiP4",
"formula_anonymous": "AB2C4D4",
"energy": -86.03905791,
"energy_per_atom": -3.9108662686363633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.03905791,
"band_gap": 0.9527,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000101,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.646000Z",
"spacegroup": 9
},
{
"id": "mp-3915",
"created_at": "2022-09-04T14:46:00.499438Z",
"structure_string": "Ba1 Hg1 O2\n1.0\n6.662206 -2.101194 0.000000\n6.662206 2.101194 0.000000\n5.999510 0.000000 3.578532\nBa Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Hg\n0.898197 0.898197 0.898197 O\n0.101803 0.101803 0.101803 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"O"
],
"chemical_system": "Ba-Hg-O",
"density": 6.131021920993174,
"density_atomic": 0.039924628278787656,
"volume": 100.18878502934588,
"volume_molar": 15.08377415050254,
"formula_full": "Ba1 Hg1 O2",
"formula_reduced": "BaHgO2",
"formula_anonymous": "ABC2",
"energy": -19.96832336,
"energy_per_atom": -4.99208084,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.59432336,
"band_gap": 2.2727,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.480000Z",
"spacegroup": 166
},
{
"id": "mp-972794",
"created_at": "2022-09-04T14:46:29.082123Z",
"structure_string": "Si2 Sb6\n1.0\n3.224847 -5.585599 0.000000\n3.224847 5.585599 0.000000\n0.000000 0.000000 5.562229\nSi Sb\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.174630 0.349260 0.250000 Sb\n0.650740 0.825370 0.250000 Sb\n0.174630 0.825370 0.250000 Sb\n0.825370 0.650740 0.750000 Sb\n0.349260 0.174630 0.750000 Sb\n0.825370 0.174630 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Sb"
],
"chemical_system": "Sb-Si",
"density": 6.519550167694571,
"density_atomic": 0.03992383553240566,
"volume": 200.38154884959647,
"volume_molar": 15.084073660988574,
"formula_full": "Si2 Sb6",
"formula_reduced": "SiSb3",
"formula_anonymous": "AB3",
"energy": -32.99263139,
"energy_per_atom": -4.12407892375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.84063139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.710000Z",
"spacegroup": 194
},
{
"id": "mp-1095343",
"created_at": "2022-09-04T14:41:28.226063Z",
"structure_string": "Ca4 Mg6 Si2\n1.0\n3.028284 -5.245141 0.000000\n3.028284 5.245141 0.000000\n0.000000 0.000000 9.461633\nCa Mg Si\n4 6 2\ndirect\n0.333333 0.666667 0.941111 Ca\n0.666667 0.333333 0.058889 Ca\n0.666667 0.333333 0.441111 Ca\n0.333333 0.666667 0.558889 Ca\n0.165078 0.834922 0.250000 Mg\n0.165078 0.330156 0.250000 Mg\n0.669844 0.834922 0.250000 Mg\n0.834922 0.165078 0.750000 Mg\n0.834922 0.669844 0.750000 Mg\n0.330156 0.165078 0.750000 Mg\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Si"
],
"chemical_system": "Ca-Mg-Si",
"density": 2.0016270017237154,
"density_atomic": 0.03992375506557903,
"volume": 300.5729290816638,
"volume_molar": 15.084104063127308,
"formula_full": "Ca4 Mg6 Si2",
"formula_reduced": "Ca2Mg3Si",
"formula_anonymous": "AB2C3",
"energy": -30.15550888,
"energy_per_atom": -2.512959073333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.29750888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.527000Z",
"spacegroup": 194
}
]
}