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=energy&page=10230",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10228",
"results": [
{
"id": "mp-181",
"created_at": "2022-09-04T14:47:59.626391Z",
"structure_string": "K3 Ga9\n1.0\n-3.179423 3.179423 7.483472\n3.179423 -3.179423 7.483472\n3.179423 3.179423 -7.483472\nK Ga\n3 9\ndirect\n0.126662 0.626662 0.500000 K\n0.373338 0.873338 0.500000 K\n0.000000 0.000000 0.000000 K\n0.778169 0.572330 0.794162 Ga\n0.015993 0.221831 0.794162 Ga\n0.697774 0.392377 0.305397 Ga\n0.607623 0.913021 0.305397 Ga\n0.607623 0.302226 0.694603 Ga\n0.086979 0.392377 0.694603 Ga\n0.778169 0.984007 0.205838 Ga\n0.427670 0.221831 0.205838 Ga\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 4.087239819342063,
"density_atomic": 0.03965714940382552,
"volume": 302.593609989588,
"volume_molar": 15.185510936948676,
"formula_full": "K3 Ga9",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy": -32.71836567,
"energy_per_atom": -2.7265304725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.71836567,
"band_gap": 0.1478999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.877000Z",
"spacegroup": 119
},
{
"id": "mp-1403490",
"created_at": "2022-09-04T14:45:26.397556Z",
"structure_string": "Mg6 Si8\n1.0\n6.080212 0.000000 0.000000\n-2.108633 6.526749 0.000000\n-1.219523 -3.408145 6.652698\nMg Si\n6 8\ndirect\n0.408134 0.111744 0.395539 Mg\n0.968146 0.305214 0.448264 Mg\n0.645259 0.275593 0.878970 Mg\n0.867749 0.842903 0.789709 Mg\n0.660128 0.616144 0.427228 Mg\n0.962510 0.119405 0.130558 Mg\n0.197623 0.539875 0.772545 Si\n0.188399 0.859782 0.024562 Si\n0.869358 0.483467 0.107185 Si\n0.452445 0.484413 0.121835 Si\n0.267719 0.211985 0.731717 Si\n0.064031 0.673071 0.521917 Si\n0.499491 0.918587 0.699214 Si\n0.448849 0.811409 0.197396 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.330452618623002,
"density_atomic": 0.053029141117991715,
"volume": 264.00578445820014,
"volume_molar": 11.356285681867869,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -32.718097320000005,
"energy_per_atom": -2.3370069514285716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.28609732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.709000Z",
"spacegroup": 1
},
{
"id": "mp-1028357",
"created_at": "2022-09-04T14:47:56.566264Z",
"structure_string": "Mg14 Ni1 Sb1\n1.0\n6.246886 -0.031508 0.000000\n-3.150729 5.457223 0.000000\n0.000000 0.000000 10.263583\nMg Ni Sb\n14 1 1\ndirect\n0.168425 0.334212 0.625000 Mg\n0.169276 0.834638 0.625000 Mg\n0.672877 0.337341 0.125000 Mg\n0.665042 0.331119 0.625000 Mg\n0.672877 0.835535 0.125000 Mg\n0.665042 0.833922 0.625000 Mg\n0.328991 0.173190 0.363130 Mg\n0.328991 0.173190 0.886870 Mg\n0.328991 0.655802 0.363130 Mg\n0.328991 0.655802 0.886870 Mg\n0.841818 0.170910 0.365472 Mg\n0.841818 0.170910 0.884528 Mg\n0.830876 0.665438 0.380060 Mg\n0.830876 0.665438 0.869940 Mg\n0.164373 0.332186 0.125000 Ni\n0.160735 0.830367 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"Sb"
],
"chemical_system": "Mg-Ni-Sb",
"density": 2.4784972268762586,
"density_atomic": 0.04586191956398055,
"volume": 348.8733169504363,
"volume_molar": 13.131026388022633,
"formula_full": "Mg14 Ni1 Sb1",
"formula_reduced": "Mg14NiSb",
"formula_anonymous": "ABC14",
"energy": -32.71421797,
"energy_per_atom": -2.044638623125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.52221797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.451000Z",
"spacegroup": 38
},
{
"id": "mp-1572",
"created_at": "2022-09-04T14:40:24.273209Z",
"structure_string": "Ga4 Se4\n1.0\n1.909533 -3.307409 0.000000\n1.909533 3.307409 0.000000\n0.000000 0.000000 17.801796\nGa Se\n4 4\ndirect\n0.000000 0.000000 0.069406 Ga\n0.000000 0.000000 0.930594 Ga\n0.666667 0.333333 0.430600 Ga\n0.666667 0.333333 0.569400 Ga\n0.666667 0.333333 0.864701 Se\n0.666667 0.333333 0.135299 Se\n0.333333 0.666667 0.635307 Se\n0.333333 0.666667 0.364693 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Se"
],
"chemical_system": "Ga-Se",
"density": 4.391991759201682,
"density_atomic": 0.03557796466282337,
"volume": 224.85828168690813,
"volume_molar": 16.92660279212864,
"formula_full": "Ga4 Se4",
"formula_reduced": "GaSe",
"formula_anonymous": "AB",
"energy": -32.71344076,
"energy_per_atom": -4.089180095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82544076,
"band_gap": 1.2405999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0122456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.628000Z",
"spacegroup": 187
},
{
"id": "mp-1078982",
"created_at": "2022-09-04T14:45:09.189203Z",
"structure_string": "Yb2 Cu2 Sb4\n1.0\n4.396784 0.000000 0.000000\n0.000000 4.396784 0.000000\n0.000000 0.000000 9.693718\nYb Cu Sb\n2 2 4\ndirect\n0.000000 0.500000 0.737617 Yb\n0.500000 0.000000 0.262383 Yb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.346659 Sb\n0.500000 0.000000 0.653341 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Yb",
"density": 8.508550558800435,
"density_atomic": 0.04269031351108315,
"volume": 187.3961407644163,
"volume_molar": 14.10657421955111,
"formula_full": "Yb2 Cu2 Sb4",
"formula_reduced": "YbCuSb2",
"formula_anonymous": "ABC2",
"energy": -32.71271065,
"energy_per_atom": -4.08908883125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.94471065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.064000Z",
"spacegroup": 129
},
{
"id": "mp-1943",
"created_at": "2022-09-04T14:42:13.276847Z",
"structure_string": "Ga4 Se4\n1.0\n1.908801 -3.306139 0.000000\n1.908801 3.306139 0.000000\n0.000000 0.000000 17.750455\nGa Se\n4 4\ndirect\n0.333333 0.666667 0.180413 Ga\n0.666667 0.333333 0.680413 Ga\n0.666667 0.333333 0.819587 Ga\n0.333333 0.666667 0.319587 Ga\n0.333333 0.666667 0.614298 Se\n0.666667 0.333333 0.114298 Se\n0.666667 0.333333 0.385702 Se\n0.333333 0.666667 0.885702 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Se"
],
"chemical_system": "Ga-Se",
"density": 4.408076837120317,
"density_atomic": 0.0357082641636339,
"volume": 224.0377735344352,
"volume_molar": 16.864837597267144,
"formula_full": "Ga4 Se4",
"formula_reduced": "GaSe",
"formula_anonymous": "AB",
"energy": -32.71215383,
"energy_per_atom": -4.08901922875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82415383,
"band_gap": 1.2386999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010445,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.969000Z",
"spacegroup": 194
},
{
"id": "mp-1183671",
"created_at": "2022-09-04T14:39:45.605173Z",
"structure_string": "Ca1 Eu3\n1.0\n0.000000 4.459929 4.459929\n4.459929 0.000000 4.459929\n4.459929 4.459929 0.000000\nCa Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Eu"
],
"chemical_system": "Ca-Eu",
"density": 4.641845430064486,
"density_atomic": 0.022544788253863194,
"volume": 177.4245983132964,
"volume_molar": 26.711897633228237,
"formula_full": "Ca1 Eu3",
"formula_reduced": "CaEu3",
"formula_anonymous": "AB3",
"energy": -32.711585,
"energy_per_atom": -8.17789625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.711585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0001422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.503000Z",
"spacegroup": 225
},
{
"id": "mp-601820",
"created_at": "2022-09-04T14:47:11.684223Z",
"structure_string": "Fe3 Co1\n1.0\n4.032863 0.000000 0.000000\n0.000000 4.032863 0.000000\n0.000000 0.000000 2.841918\nFe Co\n3 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.136129184363288,
"density_atomic": 0.08654092060337568,
"volume": 46.2209088152914,
"volume_molar": 6.958720473520242,
"formula_full": "Fe3 Co1",
"formula_reduced": "Fe3Co",
"formula_anonymous": "AB3",
"energy": -32.70993492,
"energy_per_atom": -8.17748373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.70993492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.1216649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.429000Z",
"spacegroup": 123
},
{
"id": "mp-10167",
"created_at": "2022-09-04T14:45:21.105235Z",
"structure_string": "Na3 Sb1 S4\n1.0\n-3.626916 3.626916 3.626916\n3.626916 -3.626916 3.626916\n3.626916 3.626916 -3.626916\nNa Sb S\n3 1 4\ndirect\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.000000 0.623076 0.000000 S\n0.376924 0.376924 0.376924 S\n0.000000 0.000000 0.623076 S\n0.623076 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"S"
],
"chemical_system": "Na-S-Sb",
"density": 2.775573550587957,
"density_atomic": 0.04191963606638226,
"volume": 190.841351469071,
"volume_molar": 14.36591851719223,
"formula_full": "Na3 Sb1 S4",
"formula_reduced": "Na3SbS4",
"formula_anonymous": "AB3C4",
"energy": -32.70751584,
"energy_per_atom": -4.08843948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.69551584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.981000Z",
"spacegroup": 217
},
{
"id": "mp-1209833",
"created_at": "2022-09-04T14:42:49.144835Z",
"structure_string": "Nd3 Cd3 Au3\n1.0\n4.007985 -6.942033 0.000000\n4.007985 6.942033 0.000000\n0.000000 0.000000 3.998191\nNd Cd Au\n3 3 3\ndirect\n0.592053 0.000000 0.000000 Nd\n0.000000 0.592053 0.000000 Nd\n0.407947 0.407947 0.000000 Nd\n0.257763 0.000000 0.500000 Cd\n0.000000 0.257763 0.500000 Cd\n0.742237 0.742237 0.500000 Cd\n0.333333 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Nd",
"density": 10.156775182877583,
"density_atomic": 0.04045164760524322,
"volume": 222.48784741300494,
"volume_molar": 14.887257050116864,
"formula_full": "Nd3 Cd3 Au3",
"formula_reduced": "NdCdAu",
"formula_anonymous": "ABC",
"energy": -32.70673877,
"energy_per_atom": -3.634082085555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.70673877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.230000Z",
"spacegroup": 189
},
{
"id": "mp-867850",
"created_at": "2022-09-04T14:46:16.747015Z",
"structure_string": "Sc1 Mn1 Rh2\n1.0\n0.000000 3.141909 3.141909\n3.141909 0.000000 3.141909\n3.141909 3.141909 0.000000\nSc Mn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Sc",
"density": 8.183531826871848,
"density_atomic": 0.06448358715019875,
"volume": 62.03128853056791,
"volume_molar": 9.339028776381339,
"formula_full": "Sc1 Mn1 Rh2",
"formula_reduced": "ScMnRh2",
"formula_anonymous": "ABC2",
"energy": -32.70324145,
"energy_per_atom": -8.1758103625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.70324145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2548193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.489000Z",
"spacegroup": 225
},
{
"id": "mp-1026725",
"created_at": "2022-09-04T14:41:06.709202Z",
"structure_string": "La1 Mg14 Sb1\n1.0\n6.573369 0.059515 0.000000\n-3.235143 5.603432 0.000000\n0.000000 0.000000 10.488554\nLa Mg Sb\n1 14 1\ndirect\n0.166171 0.333085 0.125000 La\n0.165799 0.332899 0.625000 Mg\n0.164709 0.832354 0.625000 Mg\n0.665581 0.328719 0.125000 Mg\n0.666599 0.334332 0.625000 Mg\n0.665581 0.836861 0.125000 Mg\n0.666599 0.832266 0.625000 Mg\n0.337429 0.166352 0.384110 Mg\n0.337429 0.166352 0.865890 Mg\n0.337429 0.671077 0.384110 Mg\n0.337429 0.671077 0.865890 Mg\n0.827667 0.163834 0.382371 Mg\n0.827667 0.163834 0.867629 Mg\n0.831047 0.665524 0.373852 Mg\n0.831047 0.665524 0.876148 Mg\n0.171818 0.835908 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Sb"
],
"chemical_system": "La-Mg-Sb",
"density": 2.569537279301823,
"density_atomic": 0.04120007145358363,
"volume": 388.3488410457187,
"volume_molar": 14.616821154751149,
"formula_full": "La1 Mg14 Sb1",
"formula_reduced": "LaMg14Sb",
"formula_anonymous": "ABC14",
"energy": -32.70237048,
"energy_per_atom": -2.043898155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.51037048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.480000Z",
"spacegroup": 38
}
]
}