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=10236",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10234",
"results": [
{
"id": "mp-5646",
"created_at": "2022-09-04T14:39:34.847004Z",
"structure_string": "Nd2 Sn2 Au2\n1.0\n2.395642 -4.149374 0.000000\n2.395642 4.149374 0.000000\n0.000000 0.000000 7.686213\nNd Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.244139 Nd\n0.000000 0.000000 0.744139 Nd\n0.666667 0.333333 0.968887 Sn\n0.333333 0.666667 0.468887 Sn\n0.333333 0.666667 0.060974 Au\n0.666667 0.333333 0.560974 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Au"
],
"chemical_system": "Au-Nd-Sn",
"density": 9.995698006646483,
"density_atomic": 0.03926488587457673,
"volume": 152.80828827990777,
"volume_molar": 15.337217021937715,
"formula_full": "Nd2 Sn2 Au2",
"formula_reduced": "NdSnAu",
"formula_anonymous": "ABC",
"energy": -29.107377810000003,
"energy_per_atom": -4.851229635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.107377810000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.795000Z",
"spacegroup": 186
},
{
"id": "mp-637982",
"created_at": "2022-09-04T14:40:32.280922Z",
"structure_string": "As20 Pb12 S40\n1.0\n8.171794 0.000000 0.000000\n0.000000 8.740024 0.000000\n0.000000 6.415860 25.674559\nAs Pb S\n20 12 40\ndirect\n0.337591 0.289646 0.047274 As\n0.662409 0.710354 0.952726 As\n0.162409 0.289646 0.547274 As\n0.805364 0.142041 0.432513 As\n0.156950 0.252934 0.351761 As\n0.991842 0.389013 0.952186 As\n0.508158 0.389013 0.452186 As\n0.491842 0.610987 0.547814 As\n0.649403 0.308416 0.160637 As\n0.850597 0.308416 0.660637 As\n0.843050 0.747066 0.648239 As\n0.694636 0.142041 0.932513 As\n0.194636 0.857959 0.567487 As\n0.343050 0.252934 0.851761 As\n0.305364 0.857959 0.067487 As\n0.008158 0.610987 0.047814 As\n0.837591 0.710354 0.452726 As\n0.149403 0.691584 0.339363 As\n0.350597 0.691584 0.839363 As\n0.656950 0.747066 0.148239 As\n0.726393 0.984481 0.801318 Pb\n0.762821 0.475000 0.290812 Pb\n0.413285 0.902325 0.420820 Pb\n0.913285 0.097675 0.079180 Pb\n0.262821 0.525000 0.209188 Pb\n0.237179 0.525000 0.709188 Pb\n0.086715 0.902325 0.920820 Pb\n0.737179 0.475000 0.790812 Pb\n0.273607 0.015519 0.198682 Pb\n0.226393 0.015519 0.698682 Pb\n0.773607 0.984481 0.301318 Pb\n0.586715 0.097675 0.579180 Pb\n0.315031 0.482846 0.324713 S\n0.019154 0.054382 0.588545 S\n0.497078 0.737702 0.764607 S\n0.829522 0.823012 0.006586 S\n0.012919 0.257768 0.278152 S\n0.329522 0.176988 0.493414 S\n0.655755 0.708337 0.388765 S\n0.029728 0.638058 0.601505 S\n0.683609 0.407408 0.514441 S\n0.824358 0.107585 0.182784 S\n0.624655 0.164361 0.366383 S\n0.170478 0.176988 0.993414 S\n0.184969 0.482846 0.824713 S\n0.002922 0.737702 0.264607 S\n0.324358 0.892415 0.317216 S\n0.815031 0.517154 0.175287 S\n0.480846 0.054382 0.088545 S\n0.183609 0.592592 0.985559 S\n0.675642 0.107585 0.682784 S\n0.980846 0.945618 0.411455 S\n0.175642 0.892415 0.817216 S\n0.512919 0.742232 0.221848 S\n0.316391 0.592592 0.485559 S\n0.844245 0.708337 0.888765 S\n0.470272 0.638058 0.101505 S\n0.997078 0.262298 0.735393 S\n0.344245 0.291663 0.611235 S\n0.529728 0.361942 0.898495 S\n0.875345 0.164361 0.866383 S\n0.670478 0.823012 0.506586 S\n0.502922 0.262298 0.235393 S\n0.375345 0.835639 0.633617 S\n0.124655 0.835639 0.133617 S\n0.155755 0.291663 0.111235 S\n0.970272 0.361942 0.398495 S\n0.987081 0.742232 0.721848 S\n0.684969 0.517154 0.675287 S\n0.519154 0.945618 0.911455 S\n0.816391 0.407408 0.014441 S\n0.487081 0.257768 0.778152 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"As",
"Pb",
"S"
],
"chemical_system": "As-Pb-S",
"density": 4.769962966902966,
"density_atomic": 0.0392644454830261,
"volume": 1833.7200262034867,
"volume_molar": 15.337389044761506,
"formula_full": "As20 Pb12 S40",
"formula_reduced": "As5Pb3S10",
"formula_anonymous": "A3B5C10",
"energy": -340.03561391,
"energy_per_atom": -4.722716859861111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.91561391,
"band_gap": 0.4915000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0327562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.921000Z",
"spacegroup": 14
},
{
"id": "mp-1188559",
"created_at": "2022-09-04T14:42:02.531812Z",
"structure_string": "Y4 Ag4 Se8\n1.0\n4.286599 0.000000 0.000000\n0.000000 6.855782 0.000000\n0.000000 0.000000 13.866074\nY Ag Se\n4 4 8\ndirect\n0.271166 0.708891 0.628046 Y\n0.771166 0.791109 0.371954 Y\n0.728834 0.208891 0.871954 Y\n0.228834 0.291109 0.128046 Y\n0.497955 0.704397 0.875818 Ag\n0.997955 0.795603 0.124182 Ag\n0.502045 0.204397 0.624182 Ag\n0.002045 0.295603 0.375818 Ag\n0.769573 0.910929 0.726884 Se\n0.269573 0.589071 0.273116 Se\n0.230427 0.410929 0.773116 Se\n0.730427 0.089071 0.226884 Se\n0.765443 0.511777 0.527067 Se\n0.265443 0.988223 0.472933 Se\n0.234557 0.011777 0.972933 Se\n0.734557 0.488223 0.027067 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Se-Y",
"density": 5.78148789493861,
"density_atomic": 0.03926418716929522,
"volume": 407.49601999941757,
"volume_molar": 15.337489947351674,
"formula_full": "Y4 Ag4 Se8",
"formula_reduced": "YAgSe2",
"formula_anonymous": "ABC2",
"energy": -88.34880901999999,
"energy_per_atom": -5.521800563749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.57280902,
"band_gap": 1.2797999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0073873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.351000Z",
"spacegroup": 19
},
{
"id": "mp-1207109",
"created_at": "2022-09-04T14:42:52.943085Z",
"structure_string": "Sm1 Hg2\n1.0\n2.488914 -4.310926 0.000000\n2.488914 4.310926 0.000000\n0.000000 0.000000 3.560540\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 11.986704219280902,
"density_atomic": 0.03926403529133407,
"volume": 76.405799295472,
"volume_molar": 15.33754927458804,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy": -6.56695758,
"energy_per_atom": -2.1889858600000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.56695758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3101488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.696000Z",
"spacegroup": 191
},
{
"id": "mp-1225233",
"created_at": "2022-09-04T14:43:20.389289Z",
"structure_string": "Eu2 Zn2 Sn2\n1.0\n2.406159 5.618039 0.000000\n-2.406159 5.618039 0.000000\n0.000000 5.211090 5.652292\nEu Zn Sn\n2 2 2\ndirect\n0.537561 0.537561 0.714056 Eu\n0.462439 0.462439 0.285944 Eu\n0.847119 0.847119 0.100810 Zn\n0.152881 0.152881 0.899190 Zn\n0.171398 0.171398 0.274220 Sn\n0.828602 0.828602 0.725780 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Sn"
],
"chemical_system": "Eu-Sn-Zn",
"density": 7.304020459551287,
"density_atomic": 0.039263371848506146,
"volume": 152.81418068601977,
"volume_molar": 15.337808436921408,
"formula_full": "Eu2 Zn2 Sn2",
"formula_reduced": "EuZnSn",
"formula_anonymous": "ABC",
"energy": -34.10560624,
"energy_per_atom": -5.684267706666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.10560624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1831866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.629000Z",
"spacegroup": 12
},
{
"id": "mp-541361",
"created_at": "2022-09-04T14:42:47.781885Z",
"structure_string": "K8 Ru4 N4 Cl20 O4\n1.0\n7.065750 0.000000 0.000000\n0.000000 10.611723 0.000000\n0.000000 0.000000 13.587388\nK Ru N Cl O\n8 4 4 20 4\ndirect\n0.354889 0.999806 0.146200 K\n0.854889 0.000194 0.353800 K\n0.645111 0.499806 0.853800 K\n0.145111 0.500194 0.646200 K\n0.645111 0.000194 0.853800 K\n0.145111 0.999806 0.646200 K\n0.354889 0.500194 0.146200 K\n0.854889 0.499806 0.353800 K\n0.829492 0.750000 0.107068 Ru\n0.329492 0.250000 0.392932 Ru\n0.170508 0.250000 0.892932 Ru\n0.670508 0.750000 0.607068 Ru\n0.989018 0.750000 0.009465 N\n0.489018 0.250000 0.490535 N\n0.010982 0.250000 0.990535 N\n0.510982 0.750000 0.509465 N\n0.550917 0.750000 0.005020 Cl\n0.050917 0.250000 0.494980 Cl\n0.449083 0.250000 0.994980 Cl\n0.949083 0.750000 0.505020 Cl\n0.626920 0.750000 0.247195 Cl\n0.126920 0.250000 0.252805 Cl\n0.373080 0.250000 0.752805 Cl\n0.873080 0.750000 0.747195 Cl\n0.091919 0.750000 0.220696 Cl\n0.591919 0.250000 0.279304 Cl\n0.908081 0.250000 0.779304 Cl\n0.408081 0.750000 0.720696 Cl\n0.817243 0.976040 0.113197 Cl\n0.317243 0.023960 0.386803 Cl\n0.182757 0.476040 0.886803 Cl\n0.682757 0.523960 0.613197 Cl\n0.182757 0.023960 0.886803 Cl\n0.682757 0.976040 0.613197 Cl\n0.817243 0.523960 0.113197 Cl\n0.317243 0.476040 0.386803 Cl\n0.106293 0.750000 0.949136 O\n0.606293 0.250000 0.550864 O\n0.893707 0.250000 0.050864 O\n0.393707 0.750000 0.449136 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ru",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-K-N-O-Ru",
"density": 2.520117542878874,
"density_atomic": 0.0392626710931601,
"volume": 1018.7793872986994,
"volume_molar": 15.33808218424831,
"formula_full": "K8 Ru4 N4 Cl20 O4",
"formula_reduced": "K2RuNCl5O",
"formula_anonymous": "ABCD2E5",
"energy": -196.20833347,
"energy_per_atom": -4.90520833675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.18033347,
"band_gap": 1.7947,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.594000Z",
"spacegroup": 62
},
{
"id": "mp-1195526",
"created_at": "2022-09-04T14:42:24.790311Z",
"structure_string": "Sr4 U4 P8 S32\n1.0\n11.263501 0.000000 0.000000\n0.000000 11.263501 0.000000\n0.000000 0.000000 9.636424\nSr U P S\n4 4 8 32\ndirect\n0.500000 0.000000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.500000 0.750000 U\n0.500000 0.500000 0.250000 U\n0.000000 0.000000 0.750000 U\n0.000000 0.000000 0.250000 U\n0.464238 0.263193 0.500000 P\n0.736807 0.464238 0.000000 P\n0.964238 0.236807 0.500000 P\n0.763193 0.964238 0.000000 P\n0.535762 0.736807 0.500000 P\n0.263193 0.535762 0.000000 P\n0.035762 0.763193 0.500000 P\n0.236807 0.035762 0.000000 P\n0.272369 0.432485 0.823671 S\n0.567515 0.272369 0.323671 S\n0.772369 0.067515 0.823671 S\n0.932485 0.772369 0.323671 S\n0.272369 0.432485 0.176329 S\n0.567515 0.272369 0.676329 S\n0.772369 0.067515 0.176329 S\n0.932485 0.772369 0.676329 S\n0.727631 0.567515 0.176329 S\n0.432485 0.727631 0.676329 S\n0.227631 0.932485 0.176329 S\n0.067515 0.227631 0.676329 S\n0.727631 0.567515 0.823671 S\n0.432485 0.727631 0.323671 S\n0.227631 0.932485 0.823671 S\n0.067515 0.227631 0.323671 S\n0.368140 0.420373 0.500000 S\n0.579627 0.368140 0.000000 S\n0.868140 0.079627 0.500000 S\n0.920373 0.868140 0.000000 S\n0.631860 0.579627 0.500000 S\n0.420373 0.631860 0.000000 S\n0.131860 0.920373 0.500000 S\n0.079627 0.131860 0.000000 S\n0.367459 0.112660 0.500000 S\n0.887340 0.367459 0.000000 S\n0.867459 0.387340 0.500000 S\n0.612660 0.867459 0.000000 S\n0.632541 0.887340 0.500000 S\n0.112660 0.632541 0.000000 S\n0.132541 0.612660 0.500000 S\n0.387340 0.132541 0.000000 S\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"U",
"P",
"S"
],
"chemical_system": "P-S-Sr-U",
"density": 3.499538407145324,
"density_atomic": 0.039262552751706314,
"volume": 1222.538949608007,
"volume_molar": 15.338128414837426,
"formula_full": "Sr4 U4 P8 S32",
"formula_reduced": "SrU(PS4)2",
"formula_anonymous": "ABC2D8",
"energy": -286.40941195,
"energy_per_atom": -5.9668627489583335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.31341195,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9971454,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.116000Z",
"spacegroup": 135
},
{
"id": "mp-1187657",
"created_at": "2022-09-04T14:40:05.520504Z",
"structure_string": "Yb1 Ce1 Ag2\n1.0\n0.000000 3.706980 3.706980\n3.706980 0.000000 3.706980\n3.706980 3.706980 0.000000\nYb Ce Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce-Yb",
"density": 8.620365883558604,
"density_atomic": 0.039261715064487016,
"volume": 101.8804194730168,
"volume_molar": 15.338455668858806,
"formula_full": "Yb1 Ce1 Ag2",
"formula_reduced": "YbCeAg2",
"formula_anonymous": "ABC2",
"energy": -14.184225,
"energy_per_atom": -3.54605625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.184225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0428612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.793000Z",
"spacegroup": 225
},
{
"id": "mp-1234108",
"created_at": "2022-09-04T14:42:04.998824Z",
"structure_string": "K12 Mg1 Pb4 O10\n1.0\n6.796233 0.184470 0.890597\n0.392319 7.829845 1.668941\n0.350775 0.171207 13.020644\nK Mg Pb O\n12 1 4 10\ndirect\n0.428434 0.596461 0.361209 K\n0.571763 0.358747 0.626544 K\n0.907590 0.402942 0.357742 K\n0.025475 0.551599 0.569030 K\n0.323173 0.959827 0.138057 K\n0.690693 0.060676 0.874861 K\n0.323380 0.503050 0.125341 K\n0.613414 0.512855 0.885667 K\n0.785466 0.706109 0.120001 K\n0.175083 0.312856 0.867005 K\n0.434210 0.138970 0.370533 K\n0.557953 0.830708 0.640615 K\n0.029276 0.725764 0.767100 Mg\n0.881071 0.850892 0.350192 Pb\n0.135554 0.125283 0.642337 Pb\n0.744251 0.203185 0.128853 Pb\n0.257456 0.864803 0.897924 Pb\n0.644179 0.945815 0.240069 O\n0.378583 0.076180 0.760551 O\n0.499997 0.242372 0.034854 O\n0.500364 0.772953 0.985688 O\n0.716492 0.649559 0.465443 O\n0.285699 0.320072 0.513693 O\n0.628857 0.381837 0.234263 O\n0.297935 0.654987 0.795960 O\n0.073788 0.686105 0.256878 O\n0.923195 0.290393 0.723965 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"K",
"Mg",
"Pb",
"O"
],
"chemical_system": "K-Mg-O-Pb",
"density": 3.579093157538525,
"density_atomic": 0.03926068118861437,
"volume": 687.710940884796,
"volume_molar": 15.338859585926963,
"formula_full": "K12 Mg1 Pb4 O10",
"formula_reduced": "K12Mg(Pb2O5)2",
"formula_anonymous": "AB4C10D12",
"energy": -117.28679636,
"energy_per_atom": -4.34395542074074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.41679636000002,
"band_gap": 1.1658000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.041000Z",
"spacegroup": 1
},
{
"id": "mp-1218227",
"created_at": "2022-09-04T14:43:00.438585Z",
"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n4.295688 0.000000 0.000000\n0.000000 8.565725 0.000000\n0.000000 0.000000 16.613808\nSr La Cu Se\n4 4 4 12\ndirect\n0.250000 0.090681 0.215551 Sr\n0.250000 0.590681 0.284449 Sr\n0.750000 0.909319 0.784449 Sr\n0.750000 0.409319 0.715551 Sr\n0.250000 0.258367 0.959792 La\n0.250000 0.758367 0.540208 La\n0.750000 0.741633 0.040208 La\n0.750000 0.241633 0.459792 La\n0.250000 0.121976 0.634202 Cu\n0.250000 0.621976 0.865798 Cu\n0.750000 0.878024 0.365798 Cu\n0.750000 0.378024 0.134202 Cu\n0.250000 0.377247 0.563839 Se\n0.250000 0.877247 0.936161 Se\n0.750000 0.622753 0.436161 Se\n0.750000 0.122753 0.063839 Se\n0.250000 0.178121 0.781237 Se\n0.250000 0.678121 0.718763 Se\n0.750000 0.821879 0.218763 Se\n0.750000 0.321879 0.281237 Se\n0.250000 0.008348 0.403185 Se\n0.250000 0.508348 0.096815 Se\n0.750000 0.991652 0.596815 Se\n0.750000 0.491652 0.903185 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"La",
"Cu",
"Se"
],
"chemical_system": "Cu-La-Se-Sr",
"density": 5.725503229849695,
"density_atomic": 0.03925953908116621,
"volume": 611.3163975354312,
"volume_molar": 15.339305811893682,
"formula_full": "Sr4 La4 Cu4 Se12",
"formula_reduced": "SrLaCuSe3",
"formula_anonymous": "ABCD3",
"energy": -128.31746881,
"energy_per_atom": -5.346561200416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.65346881,
"band_gap": 1.4075999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.499000Z",
"spacegroup": 62
},
{
"id": "mp-1208520",
"created_at": "2022-09-04T14:41:34.086917Z",
"structure_string": "Tb12 In2 Co4\n1.0\n-4.720739 4.854899 5.001249\n4.720739 -4.854899 5.001249\n4.720739 4.854899 -5.001249\nTb In Co\n12 2 4\ndirect\n0.441555 0.233692 0.207863 Tb\n0.558445 0.766308 0.792137 Tb\n0.025829 0.233692 0.792137 Tb\n0.974171 0.766308 0.207863 Tb\n0.184947 0.286619 0.471566 Tb\n0.815053 0.713381 0.528434 Tb\n0.184947 0.713381 0.898328 Tb\n0.815053 0.286619 0.101672 Tb\n0.319077 0.627501 0.308424 Tb\n0.680923 0.372499 0.691576 Tb\n0.319077 0.010654 0.691576 Tb\n0.680923 0.989346 0.308424 Tb\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 In\n0.364524 0.000000 0.364524 Co\n0.635476 0.000000 0.635476 Co\n0.112043 0.612043 0.500000 Co\n0.887957 0.387957 0.500000 Co\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"In",
"Co"
],
"chemical_system": "Co-In-Tb",
"density": 8.592543002870073,
"density_atomic": 0.03925941708366004,
"volume": 458.48872288762755,
"volume_molar": 15.339353478344037,
"formula_full": "Tb12 In2 Co4",
"formula_reduced": "Tb6InCo2",
"formula_anonymous": "AB2C6",
"energy": -94.05531083,
"energy_per_atom": -5.2252950461111105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.05531083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.694000Z",
"spacegroup": 71
},
{
"id": "mp-1188470",
"created_at": "2022-09-04T14:46:25.221390Z",
"structure_string": "Nd10 Ge6 C2\n1.0\n4.424393 -7.663273 0.000000\n4.424393 7.663273 0.000000\n0.000000 0.000000 6.761377\nNd Ge C\n10 6 2\ndirect\n0.666667 0.333333 0.000000 Nd\n0.333333 0.666667 0.000000 Nd\n0.333333 0.666667 0.500000 Nd\n0.666667 0.333333 0.500000 Nd\n0.777674 0.777674 0.750000 Nd\n0.222326 0.000000 0.750000 Nd\n0.000000 0.222326 0.750000 Nd\n0.222326 0.222326 0.250000 Nd\n0.777674 0.000000 0.250000 Nd\n0.000000 0.777674 0.250000 Nd\n0.409045 0.409045 0.750000 Ge\n0.590955 0.000000 0.750000 Ge\n0.000000 0.590955 0.750000 Ge\n0.590955 0.590955 0.250000 Ge\n0.409045 0.000000 0.250000 Ge\n0.000000 0.409045 0.250000 Ge\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"C"
],
"chemical_system": "C-Ge-Nd",
"density": 6.889547797530601,
"density_atomic": 0.03925901179650259,
"volume": 458.4934560579933,
"volume_molar": 15.339511832889503,
"formula_full": "Nd10 Ge6 C2",
"formula_reduced": "Nd5Ge3C",
"formula_anonymous": "AB3C5",
"energy": -104.61155477,
"energy_per_atom": -5.811753042777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.61155477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0128643,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.113000Z",
"spacegroup": 193
}
]
}