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=-volume&page=10416",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10414",
"results": [
{
"id": "mp-1225581",
"created_at": "2022-09-04T14:47:28.857096Z",
"structure_string": "Dy2 Ge2 Pd2\n1.0\n2.197360 5.216729 0.000000\n-2.197360 5.216729 0.000000\n0.000000 4.710468 5.217388\nDy Ge Pd\n2 2 2\ndirect\n0.542319 0.542319 0.698329 Dy\n0.457681 0.457681 0.301671 Dy\n0.839582 0.839582 0.108169 Ge\n0.160418 0.160418 0.891831 Ge\n0.178022 0.178022 0.273120 Pd\n0.821978 0.821978 0.726880 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"Pd"
],
"chemical_system": "Dy-Ge-Pd",
"density": 9.48338705910519,
"density_atomic": 0.05016128215062946,
"volume": 119.61416739673005,
"volume_molar": 12.005555882555184,
"formula_full": "Dy2 Ge2 Pd2",
"formula_reduced": "DyGePd",
"formula_anonymous": "ABC",
"energy": -34.26568513,
"energy_per_atom": -5.710947521666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.26568513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.374000Z",
"spacegroup": 12
},
{
"id": "mp-430",
"created_at": "2022-09-04T14:41:30.797748Z",
"structure_string": "Ti4 O8\n1.0\n4.914440 0.000000 0.000000\n0.000000 4.854602 0.000000\n0.000000 0.894628 5.013620\nTi O\n4 8\ndirect\n0.556362 0.723144 0.715719 Ti\n0.056362 0.276856 0.784281 Ti\n0.443638 0.276856 0.284281 Ti\n0.943638 0.723144 0.215719 Ti\n0.258487 0.552347 0.961829 O\n0.758487 0.447653 0.538171 O\n0.741513 0.447653 0.038171 O\n0.241513 0.552347 0.461829 O\n0.677434 0.937072 0.352503 O\n0.177434 0.062928 0.147497 O\n0.322566 0.062928 0.647497 O\n0.822566 0.937072 0.852503 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.434971703599532,
"density_atomic": 0.1003233820042738,
"volume": 119.61319246084423,
"volume_molar": 6.002729014601457,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy": -112.40031107,
"energy_per_atom": -9.366692589166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.90431107,
"band_gap": 2.2317,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000131,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.597000Z",
"spacegroup": 14
},
{
"id": "mp-1078535",
"created_at": "2022-09-04T14:42:24.442501Z",
"structure_string": "Na2 Tc1 F6\n1.0\n2.810080 -4.867202 0.000000\n2.810080 4.867202 0.000000\n0.000000 0.000000 4.372676\nNa Tc F\n2 1 6\ndirect\n0.333333 0.666667 0.686861 Na\n0.666667 0.333333 0.313139 Na\n0.000000 0.000000 0.000000 Tc\n0.341200 0.170600 0.758637 F\n0.829400 0.658800 0.758637 F\n0.829400 0.170600 0.758637 F\n0.658800 0.829400 0.241363 F\n0.170600 0.341200 0.241363 F\n0.170600 0.829400 0.241363 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Tc",
"F"
],
"chemical_system": "F-Na-Tc",
"density": 3.581317960296799,
"density_atomic": 0.07524318316812413,
"volume": 119.61216446532185,
"volume_molar": 8.003569900204871,
"formula_full": "Na2 Tc1 F6",
"formula_reduced": "Na2TcF6",
"formula_anonymous": "AB2C6",
"energy": -48.76675143,
"energy_per_atom": -5.418527936666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.99475143000001,
"band_gap": 1.5541,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.187000Z",
"spacegroup": 164
},
{
"id": "mp-2041",
"created_at": "2022-09-04T14:42:01.755119Z",
"structure_string": "Ho2 Zn4\n1.0\n-2.228996 3.534283 3.795748\n2.228996 -3.534283 3.795748\n2.228996 3.534283 -3.795748\nHo Zn\n2 4\ndirect\n0.722082 0.472082 0.250000 Ho\n0.277918 0.527918 0.750000 Ho\n0.706619 0.165921 0.540698 Zn\n0.293381 0.834079 0.459302 Zn\n0.125223 0.165921 0.959302 Zn\n0.874777 0.834079 0.040698 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Zn"
],
"chemical_system": "Ho-Zn",
"density": 8.211706250091583,
"density_atomic": 0.05016297397893538,
"volume": 119.61013321338449,
"volume_molar": 12.005150975555875,
"formula_full": "Ho2 Zn4",
"formula_reduced": "HoZn2",
"formula_anonymous": "AB2",
"energy": -16.54451565,
"energy_per_atom": -2.757419275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.54451565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026129,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.165000Z",
"spacegroup": 74
},
{
"id": "mp-753176",
"created_at": "2022-09-04T14:42:08.304767Z",
"structure_string": "Ag2 C2 O6\n1.0\n5.511215 -2.549760 0.000000\n5.511215 2.549760 0.000000\n4.331571 0.000000 4.255850\nAg C O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 C\n0.750000 0.750000 0.750000 C\n0.996557 0.250000 0.503443 O\n0.496557 0.003443 0.750000 O\n0.750000 0.496557 0.003443 O\n0.250000 0.503443 0.996557 O\n0.503443 0.996557 0.250000 O\n0.003443 0.750000 0.496557 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"C",
"O"
],
"chemical_system": "Ag-C-O",
"density": 4.661305697398869,
"density_atomic": 0.08360592077426494,
"volume": 119.60875387043328,
"volume_molar": 7.203007519359439,
"formula_full": "Ag2 C2 O6",
"formula_reduced": "AgCO3",
"formula_anonymous": "ABC3",
"energy": -66.17188799,
"energy_per_atom": -6.617188799,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.04988799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.305000Z",
"spacegroup": 167
},
{
"id": "mp-862549",
"created_at": "2022-09-04T14:42:06.532378Z",
"structure_string": "Li1 Ac1 Tl2\n1.0\n0.000000 3.910509 3.910509\n3.910509 0.000000 3.910509\n3.910509 3.910509 0.000000\nLi Ac Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"Tl"
],
"chemical_system": "Ac-Li-Tl",
"density": 8.923447400187516,
"density_atomic": 0.03344491730109062,
"volume": 119.59963793570398,
"volume_molar": 18.00614636234613,
"formula_full": "Li1 Ac1 Tl2",
"formula_reduced": "LiAcTl2",
"formula_anonymous": "ABC2",
"energy": -12.00319623,
"energy_per_atom": -3.0007990575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.00319623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.759000Z",
"spacegroup": 225
},
{
"id": "mp-1185603",
"created_at": "2022-09-04T14:47:25.182948Z",
"structure_string": "La1 Sm1 Mg2\n1.0\n0.000000 3.910500 3.910501\n3.910500 0.000000 3.910501\n3.910501 3.910500 0.000000\nLa Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sm",
"Mg"
],
"chemical_system": "La-Mg-Sm",
"density": 4.691143600946124,
"density_atomic": 0.03344513539267431,
"volume": 119.59885804128464,
"volume_molar": 18.00602894649685,
"formula_full": "La1 Sm1 Mg2",
"formula_reduced": "LaSmMg2",
"formula_anonymous": "ABC2",
"energy": -13.2403925,
"energy_per_atom": -3.310098125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.2403925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.321000Z",
"spacegroup": 225
},
{
"id": "mp-20612",
"created_at": "2022-09-04T14:45:00.751155Z",
"structure_string": "Na2 Mn2 As2\n1.0\n4.132778 0.000000 0.000000\n0.000000 4.132778 0.000000\n0.000000 0.000000 7.002112\nNa Mn As\n2 2 2\ndirect\n0.500000 0.000000 0.643108 Na\n0.000000 0.500000 0.356892 Na\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.204015 As\n0.000000 0.500000 0.795985 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Mn",
"As"
],
"chemical_system": "As-Mn-Na",
"density": 4.244530561695633,
"density_atomic": 0.05016930021987851,
"volume": 119.59505063263028,
"volume_molar": 12.00363715181711,
"formula_full": "Na2 Mn2 As2",
"formula_reduced": "NaMnAs",
"formula_anonymous": "ABC",
"energy": -31.9523552,
"energy_per_atom": -5.325392533333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.9523552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9532058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.598000Z",
"spacegroup": 129
},
{
"id": "mp-1040852",
"created_at": "2022-09-04T14:43:14.411211Z",
"structure_string": "La1 Cr1 Sn1 O6\n1.0\n5.500231 0.000000 0.000000\n-2.728238 4.802404 0.000000\n-2.740392 -1.617759 4.527238\nLa Cr Sn O\n1 1 1 6\ndirect\n0.985719 0.242443 0.248175 La\n0.495346 0.004764 0.501370 Cr\n0.491028 0.500495 0.997838 Sn\n0.408248 0.675539 0.253082 O\n0.497643 0.800353 0.770190 O\n0.516432 0.209659 0.216883 O\n0.012719 0.809528 0.269201 O\n0.962700 0.203631 0.689625 O\n0.528516 0.293353 0.711809 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"La",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-La-O-Sn",
"density": 5.632259156522234,
"density_atomic": 0.07526092671252854,
"volume": 119.58396465641431,
"volume_molar": 8.001682975553244,
"formula_full": "La1 Cr1 Sn1 O6",
"formula_reduced": "LaCrSnO6",
"formula_anonymous": "ABCD6",
"energy": -68.87445095,
"energy_per_atom": -7.652716772222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.75345095,
"band_gap": 0.3121999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.219000Z",
"spacegroup": 1
},
{
"id": "mp-1246834",
"created_at": "2022-09-04T14:44:07.522132Z",
"structure_string": "Li4 Co4 N4\n1.0\n9.963677 0.000000 0.000000\n0.000000 2.841391 0.000000\n0.000000 0.000000 4.223820\nLi Co N\n4 4 4\ndirect\n0.552858 0.250000 0.210233 Li\n0.052858 0.250000 0.289767 Li\n0.447142 0.750000 0.789767 Li\n0.947142 0.750000 0.710233 Li\n0.716151 0.250000 0.725401 Co\n0.216151 0.250000 0.774599 Co\n0.283849 0.750000 0.274599 Co\n0.783849 0.750000 0.225401 Co\n0.855819 0.250000 0.433356 N\n0.355819 0.250000 0.066644 N\n0.144181 0.750000 0.566644 N\n0.644181 0.750000 0.933356 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Co",
"N"
],
"chemical_system": "Co-Li-N",
"density": 4.43706680863435,
"density_atomic": 0.10035180837303134,
"volume": 119.57930997509452,
"volume_molar": 6.0010286387807605,
"formula_full": "Li4 Co4 N4",
"formula_reduced": "LiCoN",
"formula_anonymous": "ABC",
"energy": -73.98894744,
"energy_per_atom": -6.16574562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.54494744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.015676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.585000Z",
"spacegroup": 62
},
{
"id": "mp-1206165",
"created_at": "2022-09-04T14:43:47.225511Z",
"structure_string": "Dy2 Ti1 Si2\n1.0\n2.917979 0.000000 0.000000\n0.000000 2.917979 0.000000\n0.000000 0.000000 14.042490\nDy Ti Si\n2 1 2\ndirect\n0.500000 0.500000 0.623061 Dy\n0.500000 0.500000 0.376939 Dy\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.175507 Si\n0.500000 0.500000 0.824493 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Ti",
"Si"
],
"chemical_system": "Dy-Si-Ti",
"density": 5.958492671546312,
"density_atomic": 0.04181783617987299,
"volume": 119.56620563754828,
"volume_molar": 14.400890409768428,
"formula_full": "Dy2 Ti1 Si2",
"formula_reduced": "Dy2TiSi2",
"formula_anonymous": "AB2C2",
"energy": -23.99886814,
"energy_per_atom": -4.799773628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.14086814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4904844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.738000Z",
"spacegroup": 123
},
{
"id": "mp-1225449",
"created_at": "2022-09-04T14:40:32.893045Z",
"structure_string": "Dy2 Cu2 Ge2\n1.0\n2.155801 -3.733958 0.000000\n2.155801 3.733958 0.000000\n0.000000 0.000000 7.426282\nDy Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.238034 Dy\n0.000000 0.000000 0.761966 Dy\n0.666667 0.333333 0.006536 Cu\n0.333333 0.666667 0.993464 Cu\n0.333333 0.666667 0.529843 Ge\n0.666667 0.333333 0.470157 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Ge"
],
"chemical_system": "Cu-Dy-Ge",
"density": 8.296872760074384,
"density_atomic": 0.050184744828593704,
"volume": 119.55824465169717,
"volume_molar": 11.999942971850626,
"formula_full": "Dy2 Cu2 Ge2",
"formula_reduced": "DyCuGe",
"formula_anonymous": "ABC",
"energy": -28.86600706,
"energy_per_atom": -4.811001176666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.86600706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.508000Z",
"spacegroup": 164
}
]
}