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=-formula_anonymous&page=11557",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=11555",
"results": [
{
"id": "mp-1213874",
"created_at": "2022-09-04T14:45:20.658684Z",
"structure_string": "Ce6 Si4 Sn6\n1.0\n2.258800 -3.912356 0.000000\n2.258800 3.912356 0.000000\n0.000000 0.000000 23.796494\nCe Si Sn\n6 4 6\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.076137 Ce\n0.666667 0.333333 0.923863 Ce\n0.666667 0.333333 0.576137 Ce\n0.333333 0.666667 0.423863 Ce\n0.000000 0.000000 0.167732 Si\n0.000000 0.000000 0.832268 Si\n0.000000 0.000000 0.667732 Si\n0.000000 0.000000 0.332268 Si\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.333333 0.666667 0.659049 Sn\n0.666667 0.333333 0.340951 Sn\n0.666667 0.333333 0.159049 Sn\n0.333333 0.666667 0.840951 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Sn"
],
"chemical_system": "Ce-Si-Sn",
"density": 6.574790836319408,
"density_atomic": 0.038041783173996764,
"volume": 420.59016862639356,
"volume_molar": 15.830332485876736,
"formula_full": "Ce6 Si4 Sn6",
"formula_reduced": "Ce3Si2Sn3",
"formula_anonymous": "A2B3C3",
"energy": -87.73120523,
"energy_per_atom": -5.483200326875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.73120523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.31221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.027000Z",
"spacegroup": 194
},
{
"id": "mp-1226102",
"created_at": "2022-09-04T14:45:22.404102Z",
"structure_string": "Cr4 B6 W6\n1.0\n5.776505 0.000000 0.000000\n0.000000 5.776505 0.000000\n2.888253 2.888253 5.287746\nCr B W\n4 6 6\ndirect\n0.305505 0.805505 0.713781 Cr\n0.980714 0.480714 0.713781 Cr\n0.480714 0.305505 0.713781 Cr\n0.805505 0.980714 0.713781 Cr\n0.389140 0.889140 0.989961 B\n0.620899 0.120899 0.989961 B\n0.120899 0.389140 0.989961 B\n0.889140 0.620899 0.989961 B\n0.739937 0.739937 0.520126 B\n0.239937 0.239937 0.520126 B\n0.679090 0.179090 0.299666 W\n0.021244 0.521244 0.299666 W\n0.521244 0.679090 0.299666 W\n0.179090 0.021244 0.299666 W\n0.513471 0.513471 0.973058 W\n0.013471 0.013471 0.973058 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"B",
"W"
],
"chemical_system": "B-Cr-W",
"density": 12.948875204526683,
"density_atomic": 0.09068158241939234,
"volume": 176.4415614849084,
"volume_molar": 6.640974494851956,
"formula_full": "Cr4 B6 W6",
"formula_reduced": "Cr2(BW)3",
"formula_anonymous": "A2B3C3",
"energy": -160.69873448,
"energy_per_atom": -10.043670905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.69873448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.235000Z",
"spacegroup": 108
},
{
"id": "mp-1207266",
"created_at": "2022-09-04T14:45:20.779580Z",
"structure_string": "Nd2 As3 Rh3\n1.0\n5.612810 0.000000 0.000000\n0.000000 5.612810 0.000000\n0.000000 0.000000 19.444720\nNd As Rh\n2 3 3\ndirect\n0.500000 0.500000 0.763183 Nd\n0.500000 0.500000 0.236817 Nd\n0.500000 0.500000 0.383396 As\n0.500000 0.500000 0.616604 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.121807 Rh\n0.500000 0.500000 0.878193 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"As",
"Rh"
],
"chemical_system": "As-Nd-Rh",
"density": 2.2281283539834758,
"density_atomic": 0.013059531913254837,
"volume": 612.5793828705575,
"volume_molar": 46.11299087900538,
"formula_full": "Nd2 As3 Rh3",
"formula_reduced": "Nd2(AsRh)3",
"formula_anonymous": "A2B3C3",
"energy": -34.20169899,
"energy_per_atom": -4.27521237375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.20169899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9969114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.780000Z",
"spacegroup": 123
},
{
"id": "mp-1216656",
"created_at": "2022-09-04T14:46:36.069515Z",
"structure_string": "U2 Al3 Sn3\n1.0\n4.427857 0.000000 0.000000\n0.000000 4.471794 0.000000\n0.000000 0.000000 8.928242\nU Al Sn\n2 3 3\ndirect\n0.000000 0.000000 0.752873 U\n0.000000 0.000000 0.247127 U\n0.500000 0.500000 0.763911 Al\n0.500000 0.500000 0.236089 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Al",
"Sn"
],
"chemical_system": "Al-Sn-U",
"density": 8.577121031269469,
"density_atomic": 0.045253133638568435,
"volume": 176.78333756718547,
"volume_molar": 13.307676785652335,
"formula_full": "U2 Al3 Sn3",
"formula_reduced": "U2(AlSn)3",
"formula_anonymous": "A2B3C3",
"energy": -46.8414524,
"energy_per_atom": -5.85518155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.8414524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1843668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.610000Z",
"spacegroup": 47
},
{
"id": "mp-1221496",
"created_at": "2022-09-04T14:46:35.367246Z",
"structure_string": "Mo3 Os3 C2\n1.0\n-2.040971 -2.040971 0.000000\n0.000000 2.040971 -2.040971\n8.168903 -8.168903 -8.168903\nMo Os C\n3 3 2\ndirect\n0.000000 0.000000 0.978410 Mo\n0.666667 0.333333 0.166667 Mo\n0.333333 0.666667 0.354923 Mo\n0.000000 0.000000 0.513689 Os\n0.666667 0.333333 0.666667 Os\n0.333333 0.666667 0.819644 Os\n0.333333 0.666667 0.068467 C\n0.000000 0.000000 0.264866 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mo",
"Os",
"C"
],
"chemical_system": "C-Mo-Os",
"density": 14.355575318238659,
"density_atomic": 0.07836665780919815,
"volume": 102.08423101924113,
"volume_molar": 7.684570107177855,
"formula_full": "Mo3 Os3 C2",
"formula_reduced": "Mo3Os3C2",
"formula_anonymous": "A2B3C3",
"energy": -83.25955149,
"energy_per_atom": -10.40744393625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.25955149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.069000Z",
"spacegroup": 164
},
{
"id": "mp-1213152",
"created_at": "2022-09-04T14:46:33.490662Z",
"structure_string": "Er6 Ga4 Ge6\n1.0\n3.715310 -4.669168 0.000000\n3.715310 4.669168 0.000000\n0.000000 0.000000 9.381758\nEr Ga Ge\n6 4 6\ndirect\n0.653708 0.653708 0.250000 Er\n0.346292 0.346292 0.750000 Er\n0.800961 0.199039 0.000000 Er\n0.199039 0.800961 0.000000 Er\n0.199039 0.800961 0.500000 Er\n0.800961 0.199039 0.500000 Er\n0.321488 0.321488 0.050095 Ga\n0.678512 0.678512 0.949905 Ga\n0.678512 0.678512 0.550095 Ga\n0.321488 0.321488 0.449905 Ga\n0.087431 0.494966 0.250000 Ge\n0.912569 0.505034 0.750000 Ge\n0.494966 0.087431 0.250000 Ge\n0.505034 0.912569 0.750000 Ge\n0.040468 0.040468 0.250000 Ge\n0.959532 0.959532 0.750000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Ge"
],
"chemical_system": "Er-Ga-Ge",
"density": 8.765885028643229,
"density_atomic": 0.04915539652580214,
"volume": 325.49834058609304,
"volume_molar": 12.251230150974207,
"formula_full": "Er6 Ga4 Ge6",
"formula_reduced": "Er3Ga2Ge3",
"formula_anonymous": "A2B3C3",
"energy": -78.5586897,
"energy_per_atom": -4.90991810625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.5586897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.318000Z",
"spacegroup": 63
},
{
"id": "mp-1206869",
"created_at": "2022-09-04T14:46:35.538976Z",
"structure_string": "Pu2 Si3 Pt3\n1.0\n4.937863 0.000000 0.000000\n0.000000 4.937863 0.000000\n0.000000 0.000000 19.808201\nPu Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.757360 Pu\n0.500000 0.500000 0.242640 Pu\n0.500000 0.500000 0.385638 Si\n0.500000 0.500000 0.614362 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.115243 Pt\n0.500000 0.500000 0.884757 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pu",
"Si",
"Pt"
],
"chemical_system": "Pt-Pu-Si",
"density": 3.979698573089089,
"density_atomic": 0.016564063242936626,
"volume": 482.97328274277277,
"volume_molar": 36.356663649953205,
"formula_full": "Pu2 Si3 Pt3",
"formula_reduced": "Pu2(SiPt)3",
"formula_anonymous": "A2B3C3",
"energy": -49.88317285,
"energy_per_atom": -6.23539660625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.09617285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.8487852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.922000Z",
"spacegroup": 123
},
{
"id": "mp-1206100",
"created_at": "2022-09-04T14:44:59.636161Z",
"structure_string": "Sr2 As3 Ir3\n1.0\n5.924371 0.000000 0.000000\n0.000000 5.924371 0.000000\n0.000000 0.000000 20.625305\nSr As Ir\n2 3 3\ndirect\n0.500000 0.500000 0.750392 Sr\n0.500000 0.500000 0.249608 Sr\n0.500000 0.500000 0.390783 As\n0.500000 0.500000 0.609217 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.107944 Ir\n0.500000 0.500000 0.892056 Ir\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"As",
"Ir"
],
"chemical_system": "As-Ir-Sr",
"density": 2.240297822455622,
"density_atomic": 0.01105108992200657,
"volume": 723.910497196228,
"volume_molar": 54.493636396965876,
"formula_full": "Sr2 As3 Ir3",
"formula_reduced": "Sr2(AsIr)3",
"formula_anonymous": "A2B3C3",
"energy": -29.93402797,
"energy_per_atom": -3.74175349625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.93402797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.748000Z",
"spacegroup": 123
},
{
"id": "mp-1207965",
"created_at": "2022-09-04T14:45:05.495521Z",
"structure_string": "Tm6 Co4 Si6\n1.0\n2.028666 -5.132384 0.000000\n2.028666 5.132384 0.000000\n0.000000 0.000000 13.454105\nTm Co Si\n6 4 6\ndirect\n0.638034 0.361966 0.250000 Tm\n0.361966 0.638034 0.750000 Tm\n0.919649 0.080351 0.112096 Tm\n0.080351 0.919649 0.887904 Tm\n0.080351 0.919649 0.612096 Tm\n0.919649 0.080351 0.387904 Tm\n0.786923 0.213077 0.581985 Co\n0.213077 0.786923 0.418015 Co\n0.213077 0.786923 0.081985 Co\n0.786923 0.213077 0.918015 Co\n0.331819 0.668181 0.250000 Si\n0.668181 0.331819 0.750000 Si\n0.618559 0.381441 0.039383 Si\n0.381441 0.618559 0.960617 Si\n0.381441 0.618559 0.539383 Si\n0.618559 0.381441 0.460617 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tm",
"Co",
"Si"
],
"chemical_system": "Co-Si-Tm",
"density": 8.403596706111877,
"density_atomic": 0.05710912172772902,
"volume": 280.1654011819847,
"volume_molar": 10.544971762498639,
"formula_full": "Tm6 Co4 Si6",
"formula_reduced": "Tm3Co2Si3",
"formula_anonymous": "A2B3C3",
"energy": -99.84053002,
"energy_per_atom": -6.24003312625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.26653002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.616000Z",
"spacegroup": 63
},
{
"id": "mp-1224865",
"created_at": "2022-09-04T14:46:21.908304Z",
"structure_string": "Fe6 Ni6 P4\n1.0\n2.198903 6.336199 0.000000\n-2.198903 6.336199 0.000000\n0.000000 6.324125 6.351134\nFe Ni P\n6 6 4\ndirect\n0.662950 0.124912 0.028207 Fe\n0.875088 0.337050 0.971793 Fe\n0.153503 0.695326 0.183397 Fe\n0.304674 0.846497 0.816603 Fe\n0.989688 0.944253 0.670103 Fe\n0.055747 0.010312 0.329897 Fe\n0.031978 0.527723 0.050514 Ni\n0.472277 0.968022 0.949486 Ni\n0.577834 0.081892 0.389851 Ni\n0.918108 0.422166 0.610149 Ni\n0.615986 0.657419 0.394180 Ni\n0.342581 0.384014 0.605820 Ni\n0.469660 0.436779 0.757006 P\n0.563221 0.530340 0.242994 P\n0.192066 0.225358 0.339553 P\n0.774642 0.807934 0.660447 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"P"
],
"chemical_system": "Fe-Ni-P",
"density": 7.610636376858631,
"density_atomic": 0.09040736899766509,
"volume": 176.97672410324455,
"volume_molar": 6.661117148708897,
"formula_full": "Fe6 Ni6 P4",
"formula_reduced": "Fe3Ni3P2",
"formula_anonymous": "A2B3C3",
"energy": -113.36437612,
"energy_per_atom": -7.0852735075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.36437612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9013443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.275000Z",
"spacegroup": 5
},
{
"id": "mp-1217050",
"created_at": "2022-09-04T14:46:28.263533Z",
"structure_string": "U2 In3 Sn3\n1.0\n4.640162 0.000000 0.000000\n0.000000 4.733865 0.000000\n0.000000 0.000000 9.114879\nU In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.244799 U\n0.000000 0.000000 0.755201 U\n0.500000 0.500000 0.252333 In\n0.500000 0.500000 0.747667 In\n0.000000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"In",
"Sn"
],
"chemical_system": "In-Sn-U",
"density": 9.75873349588873,
"density_atomic": 0.039956741820975195,
"volume": 200.21652505711614,
"volume_molar": 15.071651204650255,
"formula_full": "U2 In3 Sn3",
"formula_reduced": "U2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy": -43.57368582,
"energy_per_atom": -5.4467107275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.57368582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7339947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.689000Z",
"spacegroup": 47
},
{
"id": "mp-977164",
"created_at": "2022-09-04T14:46:10.720998Z",
"structure_string": "Li3 H3 N2\n1.0\n3.460479 0.000000 0.000000\n0.000000 3.729463 0.000000\n0.000000 0.163904 5.140849\nLi H N\n3 3 2\ndirect\n0.000000 0.458237 0.238737 Li\n0.500000 0.962599 0.316562 Li\n0.000000 0.608730 0.680292 Li\n0.229279 0.039178 0.907126 H\n0.500000 0.301423 0.632762 H\n0.770721 0.039178 0.907126 H\n0.000000 0.949269 0.020308 N\n0.500000 0.479386 0.473086 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.2979742705155877,
"density_atomic": 0.12057926113856718,
"volume": 66.34640090227926,
"volume_molar": 4.99434206441146,
"formula_full": "Li3 H3 N2",
"formula_reduced": "Li3H3N2",
"formula_anonymous": "A2B3C3",
"energy": -37.09245918,
"energy_per_atom": -4.6365573975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.37045918,
"band_gap": 1.7457000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.199000Z",
"spacegroup": 6
}
]
}