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=-chemical_system&page=11509",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11507",
"results": [
{
"id": "mp-1217290",
"created_at": "2022-09-04T14:40:53.045790Z",
"structure_string": "Th4 Al1 Ge1\n1.0\n-3.797508 3.797508 2.916531\n3.797508 -3.797508 2.916531\n3.797508 3.797508 -2.916531\nTh Al Ge\n4 1 1\ndirect\n0.409827 0.909827 0.819655 Th\n0.090173 0.590173 0.180345 Th\n0.590173 0.409827 0.500000 Th\n0.909827 0.090173 0.500000 Th\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Th",
"density": 10.144313162495912,
"density_atomic": 0.03566377138891293,
"volume": 168.2379559517159,
"volume_molar": 16.885877531931882,
"formula_full": "Th4 Al1 Ge1",
"formula_reduced": "Th4AlGe",
"formula_anonymous": "ABC4",
"energy": -40.41638659,
"energy_per_atom": -6.736064431666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.41638659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.982000Z",
"spacegroup": 97
},
{
"id": "mp-1096126",
"created_at": "2022-09-04T14:45:20.391506Z",
"structure_string": "Al1 Tc2 Ge1\n1.0\n-4.911354 5.246154 7.415858\n4.911354 -5.246154 7.415858\n4.911354 5.246154 -7.415858\nAl Tc Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.257660 0.257660 Tc\n0.000000 0.742340 0.742340 Tc\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Ge"
],
"chemical_system": "Al-Ge-Tc",
"density": 0.6422757138425419,
"density_atomic": 0.005233549321397007,
"volume": 764.299666317517,
"volume_molar": 115.06800433462797,
"formula_full": "Al1 Tc2 Ge1",
"formula_reduced": "AlTc2Ge",
"formula_anonymous": "ABC2",
"energy": -17.50853941,
"energy_per_atom": -4.3771348525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.50853941,
"band_gap": 0.3147000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3314151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.103000Z",
"spacegroup": 71
},
{
"id": "mp-571381",
"created_at": "2022-09-04T14:43:21.867966Z",
"structure_string": "Tb8 Al4 Ge12\n1.0\n4.234774 0.000000 0.000000\n0.000000 6.809070 0.000000\n0.000000 0.000000 17.826727\nTb Al Ge\n8 4 12\ndirect\n0.750000 0.330806 0.295804 Tb\n0.750000 0.328365 0.085239 Tb\n0.250000 0.671635 0.914761 Tb\n0.250000 0.169194 0.795804 Tb\n0.750000 0.828365 0.414761 Tb\n0.750000 0.830806 0.204196 Tb\n0.250000 0.171635 0.585239 Tb\n0.250000 0.669194 0.704196 Tb\n0.750000 0.550324 0.564606 Al\n0.250000 0.949676 0.064606 Al\n0.750000 0.050324 0.935394 Al\n0.250000 0.449676 0.435394 Al\n0.750000 0.251597 0.465433 Ge\n0.250000 0.144664 0.188318 Ge\n0.750000 0.855336 0.811682 Ge\n0.750000 0.355336 0.688318 Ge\n0.750000 0.466741 0.827176 Ge\n0.250000 0.033259 0.327176 Ge\n0.750000 0.966741 0.672824 Ge\n0.250000 0.644664 0.311682 Ge\n0.250000 0.748403 0.534567 Ge\n0.250000 0.533259 0.172824 Ge\n0.750000 0.751597 0.034567 Ge\n0.250000 0.248403 0.965433 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 7.271711988922741,
"density_atomic": 0.04668975457570642,
"volume": 514.031401923189,
"volume_molar": 12.898206072673247,
"formula_full": "Tb8 Al4 Ge12",
"formula_reduced": "Tb2AlGe3",
"formula_anonymous": "AB2C3",
"energy": -123.12406494,
"energy_per_atom": -5.1301693725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.12406494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.643000Z",
"spacegroup": 62
},
{
"id": "mp-1105661",
"created_at": "2022-09-04T14:43:10.317456Z",
"structure_string": "Tb4 Al6 Ge8\n1.0\n3.015433 -7.422893 0.000000\n3.015433 7.422893 0.000000\n0.000000 0.000000 7.915692\nTb Al Ge\n4 6 8\ndirect\n0.113768 0.886232 0.417527 Tb\n0.886232 0.113768 0.582473 Tb\n0.386232 0.613768 0.917527 Tb\n0.613768 0.386232 0.082473 Tb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.032698 0.467302 0.250000 Al\n0.467302 0.032698 0.750000 Al\n0.967302 0.532698 0.750000 Al\n0.532698 0.967302 0.250000 Al\n0.203321 0.296679 0.250000 Ge\n0.296679 0.203321 0.750000 Ge\n0.796679 0.703321 0.750000 Ge\n0.703321 0.796679 0.250000 Ge\n0.184676 0.815324 0.050966 Ge\n0.815324 0.184676 0.949034 Ge\n0.315324 0.684676 0.550966 Ge\n0.684676 0.315324 0.449034 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 6.460713092481105,
"density_atomic": 0.05079614314581816,
"volume": 354.3576123157269,
"volume_molar": 11.855507893015648,
"formula_full": "Tb4 Al6 Ge8",
"formula_reduced": "Tb2Al3Ge4",
"formula_anonymous": "A2B3C4",
"energy": -86.02609505,
"energy_per_atom": -4.779227502777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.02609505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.950000Z",
"spacegroup": 64
},
{
"id": "mp-1206233",
"created_at": "2022-09-04T14:46:05.976619Z",
"structure_string": "Tb2 Al2 Ge2\n1.0\n2.046801 -5.248229 0.000000\n2.046801 5.248229 0.000000\n0.000000 0.000000 5.783248\nTb Al Ge\n2 2 2\ndirect\n0.689705 0.310295 0.250000 Tb\n0.310295 0.689705 0.750000 Tb\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.394251 0.605749 0.250000 Ge\n0.605749 0.394251 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 6.910798013379011,
"density_atomic": 0.04829042651439471,
"volume": 124.24822957841307,
"volume_molar": 12.470672128366651,
"formula_full": "Tb2 Al2 Ge2",
"formula_reduced": "TbAlGe",
"formula_anonymous": "ABC",
"energy": -29.96790557,
"energy_per_atom": -4.994650928333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.96790557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006154,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.096000Z",
"spacegroup": 63
},
{
"id": "mp-1071337",
"created_at": "2022-09-04T14:47:38.971604Z",
"structure_string": "Tb2 Al2 Ge2\n1.0\n1.999793 -5.356347 0.000000\n1.999793 5.356347 0.000000\n0.000000 0.000000 6.023648\nTb Al Ge\n2 2 2\ndirect\n0.685083 0.314917 0.250000 Tb\n0.314917 0.685083 0.750000 Tb\n0.401374 0.598626 0.250000 Al\n0.598626 0.401374 0.750000 Al\n0.000000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 6.653881771192338,
"density_atomic": 0.046495178716723394,
"volume": 129.04563796938194,
"volume_molar": 12.952183271926977,
"formula_full": "Tb2 Al2 Ge2",
"formula_reduced": "TbAlGe",
"formula_anonymous": "ABC",
"energy": -28.59779915,
"energy_per_atom": -4.766299858333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.59779915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.34e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.364000Z",
"spacegroup": 63
},
{
"id": "mp-1208532",
"created_at": "2022-09-04T14:45:59.945533Z",
"structure_string": "Tb4 Al10 Ge4\n1.0\n2.881740 -7.735393 0.000000\n2.881740 7.735393 0.000000\n0.000000 0.000000 8.038398\nTb Al Ge\n4 10 4\ndirect\n0.882454 0.117546 0.418972 Tb\n0.117546 0.882454 0.581028 Tb\n0.617546 0.382454 0.918972 Tb\n0.382454 0.617546 0.081028 Tb\n0.797259 0.702741 0.250000 Al\n0.202741 0.297259 0.750000 Al\n0.702741 0.797259 0.750000 Al\n0.297259 0.202741 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.966329 0.533671 0.250000 Al\n0.033671 0.466329 0.750000 Al\n0.533671 0.966329 0.750000 Al\n0.466329 0.033671 0.250000 Al\n0.818449 0.181551 0.048301 Ge\n0.181551 0.818449 0.951699 Ge\n0.681551 0.318449 0.548301 Ge\n0.318449 0.681551 0.451699 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 5.542063276827333,
"density_atomic": 0.05022683660524332,
"volume": 358.37415247690376,
"volume_molar": 11.989886616453429,
"formula_full": "Tb4 Al10 Ge4",
"formula_reduced": "Tb2Al5Ge2",
"formula_anonymous": "A2B2C5",
"energy": -81.19751024000001,
"energy_per_atom": -4.5109727911111115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.19751024000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.609000Z",
"spacegroup": 64
},
{
"id": "mp-7157",
"created_at": "2022-09-04T14:41:15.026576Z",
"structure_string": "Tb1 Al2 Ge2\n1.0\n2.144827 -3.714950 0.000000\n2.144827 3.714950 0.000000\n0.000000 0.000000 6.635361\nTb Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666667 0.333333 0.353724 Al\n0.333333 0.666667 0.646276 Al\n0.666667 0.333333 0.741262 Ge\n0.333333 0.666667 0.258738 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 5.624664267283447,
"density_atomic": 0.04728574238358886,
"volume": 105.74011843653143,
"volume_molar": 12.735637544077267,
"formula_full": "Tb1 Al2 Ge2",
"formula_reduced": "Tb(AlGe)2",
"formula_anonymous": "AB2C2",
"energy": -23.47452021,
"energy_per_atom": -4.694904042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.47452021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.942000Z",
"spacegroup": 164
},
{
"id": "mp-1208536",
"created_at": "2022-09-04T14:47:14.129884Z",
"structure_string": "Tb4 Al2 Ge12\n1.0\n4.327136 4.201530 0.000000\n-4.327136 4.201530 0.000000\n0.000000 2.140449 10.305730\nTb Al Ge\n4 2 12\ndirect\n0.665332 0.161374 0.339372 Tb\n0.334668 0.838626 0.660628 Tb\n0.838626 0.334668 0.660628 Tb\n0.161374 0.665332 0.339372 Tb\n0.200105 0.200105 0.196941 Al\n0.799895 0.799895 0.803059 Al\n0.852470 0.852470 0.560673 Ge\n0.147530 0.147530 0.439327 Ge\n0.509318 0.509318 0.118485 Ge\n0.490682 0.490682 0.881515 Ge\n0.638782 0.638782 0.413486 Ge\n0.361218 0.361218 0.586514 Ge\n0.930503 0.930503 0.118386 Ge\n0.069497 0.069497 0.881614 Ge\n0.505401 0.934213 0.118230 Ge\n0.494599 0.065787 0.881770 Ge\n0.065787 0.494599 0.881770 Ge\n0.934213 0.505401 0.118230 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tb",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Tb",
"density": 6.918804497550809,
"density_atomic": 0.04803477218283375,
"volume": 374.72853897353724,
"volume_molar": 12.537044491598817,
"formula_full": "Tb4 Al2 Ge12",
"formula_reduced": "Tb2AlGe6",
"formula_anonymous": "AB2C6",
"energy": -88.89030289,
"energy_per_atom": -4.938350160555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.89030289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.800000Z",
"spacegroup": 12
},
{
"id": "mp-1216346",
"created_at": "2022-09-04T14:46:52.129346Z",
"structure_string": "Y18 Al2 Ge6 S42\n1.0\n7.651600 -8.491180 0.000000\n7.651600 8.491180 0.000000\n-1.771282 0.000000 11.292019\nY Al Ge S\n18 2 6 42\ndirect\n0.094602 0.306646 0.961813 Y\n0.434495 0.659758 0.295749 Y\n0.761552 0.982396 0.618757 Y\n0.295749 0.434495 0.659758 Y\n0.618757 0.761552 0.982396 Y\n0.961813 0.094602 0.306646 Y\n0.982396 0.618757 0.761552 Y\n0.306646 0.961813 0.094602 Y\n0.659758 0.295749 0.434495 Y\n0.316015 0.092431 0.456087 Y\n0.646723 0.435898 0.780279 Y\n0.990088 0.766838 0.131312 Y\n0.131312 0.990088 0.766838 Y\n0.456087 0.316015 0.092431 Y\n0.780279 0.646723 0.435898 Y\n0.435898 0.780279 0.646723 Y\n0.766838 0.131312 0.990088 Y\n0.092431 0.456087 0.316015 Y\n0.890879 0.890879 0.890879 Al\n0.390957 0.390957 0.390957 Al\n0.766202 0.431995 0.097578 Ge\n0.097578 0.766202 0.431995 Ge\n0.431995 0.097578 0.766202 Ge\n0.932418 0.264616 0.598605 Ge\n0.264616 0.598605 0.932418 Ge\n0.598605 0.932418 0.264616 Ge\n0.838198 0.365378 0.931708 S\n0.173546 0.690845 0.270871 S\n0.506514 0.022326 0.604988 S\n0.604988 0.506514 0.022326 S\n0.931708 0.838198 0.365378 S\n0.270871 0.173546 0.690845 S\n0.690845 0.270871 0.173546 S\n0.022326 0.604988 0.506514 S\n0.365378 0.931708 0.838198 S\n0.750763 0.228025 0.654077 S\n0.084763 0.558682 0.989779 S\n0.415966 0.903537 0.318322 S\n0.989779 0.084763 0.558682 S\n0.318322 0.415966 0.903537 S\n0.654077 0.750763 0.228025 S\n0.903537 0.318322 0.415966 S\n0.228025 0.654077 0.750763 S\n0.558682 0.989779 0.084763 S\n0.000128 0.261987 0.157959 S\n0.338690 0.582019 0.488038 S\n0.691465 0.929200 0.832928 S\n0.832928 0.691465 0.929200 S\n0.157959 0.000128 0.261987 S\n0.488038 0.338690 0.582019 S\n0.582019 0.488038 0.338690 S\n0.929200 0.832928 0.691465 S\n0.261987 0.157959 0.000128 S\n0.779790 0.518220 0.621715 S\n0.100102 0.856185 0.951882 S\n0.444536 0.206929 0.302924 S\n0.951882 0.100102 0.856185 S\n0.302924 0.444536 0.206929 S\n0.621715 0.779790 0.518220 S\n0.206929 0.302924 0.444536 S\n0.518220 0.621715 0.779790 S\n0.856185 0.951882 0.100102 S\n0.727532 0.058324 0.385884 S\n0.058324 0.385884 0.727532 S\n0.385884 0.727532 0.058324 S\n0.885620 0.559179 0.227005 S\n0.227005 0.885620 0.559179 S\n0.559179 0.227005 0.885620 S\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Y",
"Al",
"Ge",
"S"
],
"chemical_system": "Al-Ge-S-Y",
"density": 3.8894330922423,
"density_atomic": 0.04634330590191512,
"volume": 1467.310082364882,
"volume_molar": 12.994629197894872,
"formula_full": "Y18 Al2 Ge6 S42",
"formula_reduced": "Y9Al(GeS7)3",
"formula_anonymous": "AB3C9D21",
"energy": -450.27105837,
"energy_per_atom": -6.6216332113235294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -429.14505837,
"band_gap": 2.1963,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.217000Z",
"spacegroup": 146
},
{
"id": "mp-571216",
"created_at": "2022-09-04T14:40:10.212271Z",
"structure_string": "Sr3 Al2 Ge4\n1.0\n2.108301 6.370544 0.000000\n-2.108301 6.370544 0.000000\n0.000000 3.088999 8.405521\nSr Al Ge\n3 2 4\ndirect\n0.606016 0.606016 0.312978 Sr\n0.000000 0.000000 0.000000 Sr\n0.393984 0.393984 0.687022 Sr\n0.705062 0.705062 0.650063 Al\n0.294938 0.294938 0.349937 Al\n0.711606 0.711606 0.944322 Ge\n0.288394 0.288394 0.055678 Ge\n0.893684 0.893684 0.391468 Ge\n0.106316 0.106316 0.608532 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sr",
"density": 4.466918383523884,
"density_atomic": 0.039860132854023865,
"volume": 225.78951337066238,
"volume_molar": 15.10818035166701,
"formula_full": "Sr3 Al2 Ge4",
"formula_reduced": "Sr3(AlGe2)2",
"formula_anonymous": "A2B3C4",
"energy": -35.56231795,
"energy_per_atom": -3.951368661111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.56231795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004935,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.541000Z",
"spacegroup": 12
},
{
"id": "mp-10671",
"created_at": "2022-09-04T14:45:29.406689Z",
"structure_string": "Sr3 Al2 Ge2\n1.0\n-2.125948 2.433354 9.694002\n2.125948 -2.433354 9.694002\n2.125948 2.433354 -9.694002\nSr Al Ge\n3 2 2\ndirect\n0.815486 0.315486 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.184514 0.684514 0.500000 Sr\n0.433565 0.433565 0.000000 Al\n0.566435 0.566435 0.000000 Al\n0.358811 0.858811 0.500000 Ge\n0.641189 0.141189 0.500000 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Sr",
"density": 3.825312592952202,
"density_atomic": 0.03489610959380078,
"volume": 200.59542686797198,
"volume_molar": 17.257341377303046,
"formula_full": "Sr3 Al2 Ge2",
"formula_reduced": "Sr3(AlGe)2",
"formula_anonymous": "A2B2C3",
"energy": -25.27558481,
"energy_per_atom": -3.61079783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.27558481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005772,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.662000Z",
"spacegroup": 71
}
]
}