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=id&page=111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=109",
"results": [
{
"id": "mp-1017341",
"created_at": "2022-09-04T14:46:12.599852Z",
"structure_string": "Na2 Mg12 B2\n1.0\n4.834369 0.000000 0.000000\n0.000000 6.340634 0.000000\n0.000000 0.000000 10.942765\nNa Mg B\n2 12 2\ndirect\n0.500000 0.000000 0.835604 Na\n0.500000 0.500000 0.335604 Na\n0.500000 0.248638 0.586434 Mg\n0.500000 0.751362 0.586434 Mg\n0.000000 0.231707 0.410795 Mg\n0.000000 0.768293 0.410795 Mg\n0.000000 0.000000 0.664355 Mg\n0.000000 0.000000 0.175105 Mg\n0.500000 0.748638 0.086434 Mg\n0.500000 0.251362 0.086434 Mg\n0.000000 0.731707 0.910795 Mg\n0.000000 0.268293 0.910795 Mg\n0.000000 0.500000 0.164355 Mg\n0.000000 0.500000 0.675105 Mg\n0.500000 0.000000 0.330482 B\n0.500000 0.500000 0.830482 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"B"
],
"chemical_system": "B-Mg-Na",
"density": 1.7785262057991165,
"density_atomic": 0.047700225093073055,
"volume": 335.4281865291133,
"volume_molar": 12.624973463436602,
"formula_full": "Na2 Mg12 B2",
"formula_reduced": "NaMg6B",
"formula_anonymous": "ABC6",
"energy": -28.57814558,
"energy_per_atom": -1.78613409875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.57814558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.304000Z",
"spacegroup": 38
},
{
"id": "mp-1017342",
"created_at": "2022-09-04T14:39:47.987597Z",
"structure_string": "Cs2 Na2 Mg12\n1.0\n5.415124 0.000000 0.000000\n0.000000 7.413654 0.000000\n0.000000 0.000000 12.018244\nCs Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.173887 Cs\n0.500000 0.000000 0.673887 Cs\n0.000000 0.500000 0.344335 Na\n0.000000 0.000000 0.844335 Na\n0.000000 0.789122 0.070887 Mg\n0.000000 0.210878 0.070887 Mg\n0.000000 0.500000 0.832553 Mg\n0.500000 0.734968 0.923031 Mg\n0.500000 0.265032 0.923031 Mg\n0.500000 0.500000 0.661390 Mg\n0.000000 0.289122 0.570887 Mg\n0.000000 0.710878 0.570887 Mg\n0.000000 0.000000 0.332553 Mg\n0.500000 0.234968 0.423031 Mg\n0.500000 0.765032 0.423031 Mg\n0.500000 0.000000 0.161390 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Mg"
],
"chemical_system": "Cs-Mg-Na",
"density": 2.0768683649201085,
"density_atomic": 0.03316181150239542,
"volume": 482.4826894285992,
"volume_molar": 18.159866687514928,
"formula_full": "Cs2 Na2 Mg12",
"formula_reduced": "CsNaMg6",
"formula_anonymous": "ABC6",
"energy": -19.14513471,
"energy_per_atom": -1.196570919375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.14513471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.237000Z",
"spacegroup": 38
},
{
"id": "mp-1017343",
"created_at": "2022-09-04T14:43:13.042077Z",
"structure_string": "Ba2 Na2 Mg12\n1.0\n5.386150 0.000000 0.000000\n0.000000 6.681113 0.000000\n0.000000 0.000000 12.869929\nBa Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.177702 Ba\n0.500000 0.000000 0.677702 Ba\n0.500000 0.000000 0.168715 Na\n0.500000 0.500000 0.668715 Na\n0.500000 0.253383 0.424446 Mg\n0.500000 0.746617 0.424446 Mg\n0.000000 0.758214 0.061530 Mg\n0.000000 0.241786 0.061530 Mg\n0.000000 0.000000 0.332447 Mg\n0.000000 0.500000 0.349180 Mg\n0.500000 0.753383 0.924446 Mg\n0.500000 0.246617 0.924446 Mg\n0.000000 0.258214 0.561530 Mg\n0.000000 0.741786 0.561530 Mg\n0.000000 0.500000 0.832447 Mg\n0.000000 0.000000 0.849180 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 2.1953580521971876,
"density_atomic": 0.03454749562007125,
"volume": 463.13053125345476,
"volume_molar": 17.431482809136774,
"formula_full": "Ba2 Na2 Mg12",
"formula_reduced": "BaNaMg6",
"formula_anonymous": "ABC6",
"energy": -23.84709748,
"energy_per_atom": -1.4904435925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.84709748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.859000Z",
"spacegroup": 38
},
{
"id": "mp-1017345",
"created_at": "2022-09-04T14:45:06.743135Z",
"structure_string": "Rb2 Na2 Mg12\n1.0\n5.436357 0.000000 0.000000\n0.000000 7.156013 0.000000\n0.000000 0.000000 12.048076\nRb Na Mg\n2 2 12\ndirect\n0.500000 0.500000 0.172885 Rb\n0.500000 0.000000 0.672885 Rb\n0.000000 0.500000 0.340626 Na\n0.000000 0.000000 0.840626 Na\n0.000000 0.220992 0.072843 Mg\n0.000000 0.779008 0.072843 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.260759 0.922733 Mg\n0.500000 0.739241 0.922733 Mg\n0.500000 0.500000 0.662619 Mg\n0.000000 0.720992 0.572843 Mg\n0.000000 0.279008 0.572843 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.760759 0.422733 Mg\n0.500000 0.239241 0.422733 Mg\n0.500000 0.000000 0.162619 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Na",
"Mg"
],
"chemical_system": "Mg-Na-Rb",
"density": 1.8018035390192464,
"density_atomic": 0.034136830418609855,
"volume": 468.70197976193845,
"volume_molar": 17.641183103856655,
"formula_full": "Rb2 Na2 Mg12",
"formula_reduced": "RbNaMg6",
"formula_anonymous": "ABC6",
"energy": -20.06077405,
"energy_per_atom": -1.253798378125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.06077405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.961000Z",
"spacegroup": 38
},
{
"id": "mp-1017347",
"created_at": "2022-09-04T14:45:43.504631Z",
"structure_string": "Na1 Mg6 Nb1\n1.0\n4.443609 -4.448986 0.000000\n4.443609 4.448986 0.000000\n0.000000 0.000000 4.522066\nNa Mg Nb\n1 6 1\ndirect\n0.870328 0.129672 0.500000 Na\n0.371489 0.123035 0.500000 Mg\n0.876965 0.628511 0.500000 Mg\n0.141740 0.389197 0.000000 Mg\n0.610803 0.858260 0.000000 Mg\n0.607847 0.392153 0.000000 Mg\n0.143968 0.856032 0.000000 Mg\n0.376865 0.623135 0.500000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Nb"
],
"chemical_system": "Mg-Na-Nb",
"density": 2.4307060608385695,
"density_atomic": 0.04474311516791851,
"volume": 178.79845804156525,
"volume_molar": 13.459368524965749,
"formula_full": "Na1 Mg6 Nb1",
"formula_reduced": "NaMg6Nb",
"formula_anonymous": "ABC6",
"energy": -19.63579604,
"energy_per_atom": -2.454474505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63579604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3555204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.579000Z",
"spacegroup": 38
},
{
"id": "mp-1017349",
"created_at": "2022-09-04T14:41:14.898513Z",
"structure_string": "Mg12 Si2 Sb2\n1.0\n5.147155 0.000000 0.000000\n0.000000 5.971895 0.000000\n0.000000 0.000000 11.535615\nMg Si Sb\n12 2 2\ndirect\n0.000000 0.247581 0.084574 Mg\n0.000000 0.752419 0.084574 Mg\n0.000000 0.000000 0.328168 Mg\n0.500000 0.742239 0.404720 Mg\n0.500000 0.257761 0.404720 Mg\n0.500000 0.000000 0.171785 Mg\n0.000000 0.747581 0.584574 Mg\n0.000000 0.252419 0.584574 Mg\n0.000000 0.500000 0.828168 Mg\n0.500000 0.242239 0.904720 Mg\n0.500000 0.757761 0.904720 Mg\n0.500000 0.500000 0.671785 Mg\n0.000000 0.500000 0.378039 Si\n0.000000 0.000000 0.878039 Si\n0.500000 0.500000 0.143421 Sb\n0.500000 0.000000 0.643421 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sb"
],
"chemical_system": "Mg-Sb-Si",
"density": 2.7693271921899245,
"density_atomic": 0.045123192601690995,
"volume": 354.5848393582062,
"volume_molar": 13.34599883735691,
"formula_full": "Mg12 Si2 Sb2",
"formula_reduced": "Mg6SiSb",
"formula_anonymous": "ABC6",
"energy": -38.7695985,
"energy_per_atom": -2.42309990625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.3855985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053099,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.485000Z",
"spacegroup": 38
},
{
"id": "mp-1017350",
"created_at": "2022-09-04T14:39:19.698444Z",
"structure_string": "Mg12 Si2 Mo2\n1.0\n5.025351 0.000000 0.000000\n0.000000 5.680184 0.000000\n0.000000 0.000000 10.720735\nMg Si Mo\n12 2 2\ndirect\n0.000000 0.250798 0.422300 Mg\n0.000000 0.749202 0.422300 Mg\n0.500000 0.742535 0.081990 Mg\n0.500000 0.257465 0.081990 Mg\n0.500000 0.000000 0.324123 Mg\n0.500000 0.500000 0.322858 Mg\n0.000000 0.750798 0.922300 Mg\n0.000000 0.249202 0.922300 Mg\n0.500000 0.242535 0.581990 Mg\n0.500000 0.757465 0.581990 Mg\n0.500000 0.500000 0.824123 Mg\n0.500000 0.000000 0.822858 Mg\n0.000000 0.000000 0.169876 Si\n0.000000 0.500000 0.669876 Si\n0.000000 0.500000 0.174559 Mo\n0.000000 0.000000 0.674559 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Mo"
],
"chemical_system": "Mg-Mo-Si",
"density": 2.9285793856208255,
"density_atomic": 0.05228373642379026,
"volume": 306.0225051689237,
"volume_molar": 11.518191261594291,
"formula_full": "Mg12 Si2 Mo2",
"formula_reduced": "Mg6SiMo",
"formula_anonymous": "ABC6",
"energy": -48.60024082,
"energy_per_atom": -3.03751505125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.60024082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0159917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.951000Z",
"spacegroup": 38
},
{
"id": "mp-1017352",
"created_at": "2022-09-04T14:45:24.632995Z",
"structure_string": "Mg12 Si2 Sb2\n1.0\n5.153154 0.000000 0.000000\n0.000000 6.311416 0.000000\n0.000000 0.000000 10.801620\nMg Si Sb\n12 2 2\ndirect\n0.000000 0.249804 0.583634 Mg\n0.000000 0.750196 0.583634 Mg\n0.500000 0.255107 0.415805 Mg\n0.500000 0.744893 0.415805 Mg\n0.500000 0.000000 0.669454 Mg\n0.500000 0.000000 0.166317 Mg\n0.000000 0.749804 0.083634 Mg\n0.000000 0.250196 0.083634 Mg\n0.500000 0.755107 0.915805 Mg\n0.500000 0.244893 0.915805 Mg\n0.500000 0.500000 0.169454 Mg\n0.500000 0.500000 0.666317 Mg\n0.000000 0.000000 0.832547 Si\n0.000000 0.500000 0.332547 Si\n0.000000 0.000000 0.332807 Sb\n0.000000 0.500000 0.832807 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sb"
],
"chemical_system": "Mg-Sb-Si",
"density": 2.795153162747237,
"density_atomic": 0.04554399887076233,
"volume": 351.30863333723306,
"volume_molar": 13.222687751000288,
"formula_full": "Mg12 Si2 Sb2",
"formula_reduced": "Mg6SiSb",
"formula_anonymous": "ABC6",
"energy": -38.31553759,
"energy_per_atom": -2.394721099375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.93153759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.066000Z",
"spacegroup": 38
},
{
"id": "mp-1017354",
"created_at": "2022-09-04T14:43:59.034967Z",
"structure_string": "Mg12 Cr2 Si2\n1.0\n4.912018 0.000000 0.000000\n0.000000 6.061472 0.000000\n0.000000 0.000000 10.736257\nMg Cr Si\n12 2 2\ndirect\n0.500000 0.250557 0.416803 Mg\n0.500000 0.749443 0.416803 Mg\n0.000000 0.747988 0.085695 Mg\n0.000000 0.252012 0.085695 Mg\n0.000000 0.000000 0.330295 Mg\n0.000000 0.500000 0.328996 Mg\n0.500000 0.750557 0.916803 Mg\n0.500000 0.249443 0.916803 Mg\n0.000000 0.247988 0.585695 Mg\n0.000000 0.752012 0.585695 Mg\n0.000000 0.500000 0.830295 Mg\n0.000000 0.000000 0.828996 Mg\n0.500000 0.500000 0.167375 Cr\n0.500000 0.000000 0.667375 Cr\n0.500000 0.000000 0.168336 Si\n0.500000 0.500000 0.668336 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Si"
],
"chemical_system": "Cr-Mg-Si",
"density": 2.34707340654465,
"density_atomic": 0.05005287531281842,
"volume": 319.66195548215467,
"volume_molar": 12.031558072064932,
"formula_full": "Mg12 Cr2 Si2",
"formula_reduced": "Mg6CrSi",
"formula_anonymous": "ABC6",
"energy": -46.75930362,
"energy_per_atom": -2.92245647625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.90130362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.706216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.860000Z",
"spacegroup": 38
},
{
"id": "mp-1017356",
"created_at": "2022-09-04T14:39:11.344663Z",
"structure_string": "Mg12 Si2 C2\n1.0\n3.728526 0.000000 0.000000\n0.000000 8.226952 0.000000\n0.000000 0.000000 9.581687\nMg Si C\n12 2 2\ndirect\n0.500000 0.257582 0.352159 Mg\n0.500000 0.742418 0.352159 Mg\n0.000000 0.174636 0.615442 Mg\n0.000000 0.825364 0.615442 Mg\n0.000000 0.000000 0.318185 Mg\n0.000000 0.000000 0.896937 Mg\n0.500000 0.757582 0.852159 Mg\n0.500000 0.242418 0.852159 Mg\n0.000000 0.674636 0.115442 Mg\n0.000000 0.325364 0.115442 Mg\n0.000000 0.500000 0.818185 Mg\n0.000000 0.500000 0.396937 Mg\n0.500000 0.000000 0.116005 Si\n0.500000 0.500000 0.616005 Si\n0.500000 0.000000 0.733666 C\n0.500000 0.500000 0.233666 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"C"
],
"chemical_system": "C-Mg-Si",
"density": 2.100881550056877,
"density_atomic": 0.05443796267078742,
"volume": 293.91254218604223,
"volume_molar": 11.062391876086155,
"formula_full": "Mg12 Si2 C2",
"formula_reduced": "Mg6SiC",
"formula_anonymous": "ABC6",
"energy": -43.29031547,
"energy_per_atom": -2.705644716875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.29031547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.249000Z",
"spacegroup": 38
},
{
"id": "mp-1017357",
"created_at": "2022-09-04T14:39:23.620948Z",
"structure_string": "Na2 Sr2 Mg12\n1.0\n5.420682 0.000000 0.000000\n0.000000 6.646855 0.000000\n0.000000 0.000000 12.348652\nNa Sr Mg\n2 2 12\ndirect\n0.500000 0.000000 0.168801 Na\n0.500000 0.500000 0.668801 Na\n0.500000 0.500000 0.172666 Sr\n0.500000 0.000000 0.672666 Sr\n0.500000 0.254240 0.422066 Mg\n0.500000 0.745760 0.422066 Mg\n0.000000 0.756368 0.068985 Mg\n0.000000 0.243632 0.068985 Mg\n0.000000 0.000000 0.333914 Mg\n0.000000 0.500000 0.342513 Mg\n0.500000 0.754240 0.922066 Mg\n0.500000 0.245760 0.922066 Mg\n0.000000 0.256368 0.568985 Mg\n0.000000 0.743632 0.568985 Mg\n0.000000 0.500000 0.833914 Mg\n0.000000 0.000000 0.842513 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 1.9141447803012293,
"density_atomic": 0.03596087873060139,
"volume": 444.9279485037886,
"volume_molar": 16.74636708717404,
"formula_full": "Na2 Sr2 Mg12",
"formula_reduced": "NaSrMg6",
"formula_anonymous": "ABC6",
"energy": -23.743795,
"energy_per_atom": -1.4839871875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.743795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.560000Z",
"spacegroup": 38
},
{
"id": "mp-1017359",
"created_at": "2022-09-04T14:45:58.036956Z",
"structure_string": "Mg12 Si2 Mo2\n1.0\n4.779366 0.000000 0.000000\n0.000000 6.121338 0.000000\n0.000000 0.000000 10.486904\nMg Si Mo\n12 2 2\ndirect\n0.000000 0.260090 0.087630 Mg\n0.000000 0.739910 0.087630 Mg\n0.000000 0.500000 0.833630 Mg\n0.500000 0.245832 0.917438 Mg\n0.500000 0.754168 0.917438 Mg\n0.500000 0.500000 0.666686 Mg\n0.000000 0.760090 0.587630 Mg\n0.000000 0.239910 0.587630 Mg\n0.000000 0.000000 0.333630 Mg\n0.500000 0.745832 0.417438 Mg\n0.500000 0.254168 0.417438 Mg\n0.500000 0.000000 0.166686 Mg\n0.000000 0.500000 0.310727 Si\n0.000000 0.000000 0.810727 Si\n0.500000 0.500000 0.178820 Mo\n0.500000 0.000000 0.678820 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Mo"
],
"chemical_system": "Mg-Mo-Si",
"density": 2.9210999987884323,
"density_atomic": 0.052150207419360176,
"volume": 306.8060663946694,
"volume_molar": 11.54768323656628,
"formula_full": "Mg12 Si2 Mo2",
"formula_reduced": "Mg6SiMo",
"formula_anonymous": "ABC6",
"energy": -49.09580062,
"energy_per_atom": -3.06848753875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.09580062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.560000Z",
"spacegroup": 38
}
]
}