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=-is_magnetic&page=11454",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=11452",
"results": [
{
"id": "mp-1009820",
"created_at": "2022-09-04T14:42:47.297212Z",
"structure_string": "Sn1 C1\n1.0\n0.000000 2.543310 2.543310\n2.543310 0.000000 2.543310\n2.543310 2.543310 0.000000\nSn C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"C"
],
"chemical_system": "C-Sn",
"density": 6.597289924722662,
"density_atomic": 0.060785795325360784,
"volume": 32.90242381949338,
"volume_molar": 9.907151379308297,
"formula_full": "Sn1 C1",
"formula_reduced": "SnC",
"formula_anonymous": "AB",
"energy": -11.60258602,
"energy_per_atom": -5.80129301,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.60258602,
"band_gap": 0.6257000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.097000Z",
"spacegroup": 216
},
{
"id": "mp-4044",
"created_at": "2022-09-04T14:42:47.299422Z",
"structure_string": "Er4 Ag4 Se8\n1.0\n4.246211 0.000000 0.000000\n0.000000 6.821975 0.000000\n0.000000 0.000000 13.744180\nEr Ag Se\n4 4 8\ndirect\n0.221520 0.292801 0.127686 Er\n0.721520 0.207199 0.872314 Er\n0.778480 0.792801 0.372314 Er\n0.278480 0.707199 0.627686 Er\n0.507056 0.705697 0.873584 Ag\n0.492944 0.205697 0.626416 Ag\n0.007056 0.794303 0.126416 Ag\n0.992944 0.294303 0.373584 Ag\n0.770855 0.512318 0.527084 Se\n0.270855 0.987682 0.472916 Se\n0.229145 0.012318 0.972916 Se\n0.729145 0.487682 0.027084 Se\n0.777179 0.911440 0.726064 Se\n0.722821 0.088560 0.226064 Se\n0.222821 0.411440 0.773936 Se\n0.277179 0.588560 0.273936 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Se"
],
"chemical_system": "Ag-Er-Se",
"density": 7.224599801341463,
"density_atomic": 0.04018735782462662,
"volume": 398.1351565789,
"volume_molar": 14.98516221514235,
"formula_full": "Er4 Ag4 Se8",
"formula_reduced": "ErAgSe2",
"formula_anonymous": "ABC2",
"energy": -80.52919105,
"energy_per_atom": -5.033074440625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.75319105,
"band_gap": 1.2801,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0057109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.619000Z",
"spacegroup": 19
},
{
"id": "mp-1233534",
"created_at": "2022-09-04T14:42:47.373286Z",
"structure_string": "Mg1 P4 Br12 O4\n1.0\n7.085401 -0.522056 -0.031964\n-0.856430 10.217991 0.050712\n-0.008315 0.095758 11.218034\nMg P Br O\n1 4 12 4\ndirect\n0.500306 0.996124 0.759771 Mg\n0.375588 0.312735 0.256726 P\n0.626256 0.685372 0.764813 P\n0.926185 0.212193 0.754072 P\n0.095054 0.809079 0.242171 P\n0.768831 0.658266 0.598362 Br\n0.929439 0.968859 0.204114 Br\n0.231220 0.859802 0.415004 Br\n0.656926 0.155317 0.916618 Br\n0.199594 0.357072 0.407877 Br\n0.799431 0.624806 0.909247 Br\n0.360192 0.547319 0.763390 Br\n0.686563 0.131344 0.591125 Br\n0.159594 0.947939 0.728079 Br\n0.200029 0.344829 0.098677 Br\n0.327590 0.835637 0.110720 Br\n0.615592 0.476342 0.250580 Br\n0.594721 0.824903 0.779921 O\n0.972686 0.357653 0.740149 O\n0.432486 0.180727 0.262835 O\n0.979217 0.676179 0.239647 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Mg",
"P",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-P",
"density": 2.40926742978934,
"density_atomic": 0.02601844770354033,
"volume": 807.1196344716034,
"volume_molar": 23.145657375941635,
"formula_full": "Mg1 P4 Br12 O4",
"formula_reduced": "MgP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -90.63609962,
"energy_per_atom": -4.316004743809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.48009962,
"band_gap": 2.0645,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.254000Z",
"spacegroup": 1
},
{
"id": "mp-27918",
"created_at": "2022-09-04T14:42:47.305713Z",
"structure_string": "Sc6 Si8 Ni22\n1.0\n3.965987 -6.869290 0.000000\n3.965987 6.869290 0.000000\n0.000000 0.000000 8.323083\nSc Si Ni\n6 8 22\ndirect\n0.802341 0.604683 0.750000 Sc\n0.197659 0.802341 0.250000 Sc\n0.604683 0.802341 0.250000 Sc\n0.395317 0.197659 0.750000 Sc\n0.802341 0.197659 0.750000 Sc\n0.197659 0.395317 0.250000 Sc\n0.000000 0.000000 0.750000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.250000 Si\n0.847597 0.695195 0.092882 Ni\n0.695195 0.847597 0.907118 Ni\n0.152403 0.304805 0.907118 Ni\n0.152403 0.847597 0.907118 Ni\n0.304805 0.152403 0.407118 Ni\n0.438801 0.561199 0.750000 Ni\n0.122398 0.561199 0.750000 Ni\n0.877602 0.438801 0.250000 Ni\n0.561199 0.438801 0.250000 Ni\n0.438801 0.877602 0.750000 Ni\n0.333333 0.666667 0.003309 Ni\n0.666667 0.333333 0.503309 Ni\n0.666667 0.333333 0.996691 Ni\n0.333333 0.666667 0.496691 Ni\n0.847597 0.152403 0.407118 Ni\n0.847597 0.695195 0.407118 Ni\n0.152403 0.847597 0.592882 Ni\n0.695195 0.847597 0.592882 Ni\n0.304805 0.152403 0.092882 Ni\n0.847597 0.152403 0.092882 Ni\n0.152403 0.304805 0.592882 Ni\n0.561199 0.122398 0.250000 Ni\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ni"
],
"chemical_system": "Ni-Sc-Si",
"density": 6.538437548685156,
"density_atomic": 0.07938256760420592,
"volume": 453.50007043728596,
"volume_molar": 7.58622571900903,
"formula_full": "Sc6 Si8 Ni22",
"formula_reduced": "Sc3Si4Ni11",
"formula_anonymous": "A3B4C11",
"energy": -230.48114832,
"energy_per_atom": -6.402254119999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.48114832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.243000Z",
"spacegroup": 194
},
{
"id": "mp-1096001",
"created_at": "2022-09-04T14:42:47.317468Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-5.395811 5.635955 7.893240\n5.395811 -5.635955 7.893240\n5.395811 5.635955 -7.893240\nLi Cd Ga\n2 1 1\ndirect\n0.239963 0.000000 0.239963 Li\n0.760037 0.000000 0.760037 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Li",
"density": 0.3390010743749378,
"density_atomic": 0.004166011322305541,
"volume": 960.1510150928569,
"volume_molar": 144.55411409365172,
"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.88062278,
"energy_per_atom": -0.970155695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.88062278,
"band_gap": 0.0028999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0021279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.016000Z",
"spacegroup": 71
},
{
"id": "mp-674366",
"created_at": "2022-09-04T14:42:47.349572Z",
"structure_string": "Tl6 Si2 F14\n1.0\n6.932213 0.000000 0.000000\n-0.105112 8.163049 0.000000\n-0.027607 -3.990150 7.194943\nTl Si F\n6 2 14\ndirect\n0.233987 0.833044 0.693027 Tl\n0.248834 0.354874 0.188360 Tl\n0.737675 0.166254 0.829555 Tl\n0.246779 0.858284 0.168757 Tl\n0.740147 0.689260 0.849574 Tl\n0.749273 0.156595 0.315378 Tl\n0.756989 0.645804 0.353733 Si\n0.253482 0.286134 0.660349 Si\n0.499264 0.971862 0.972967 F\n0.853693 0.843045 0.537826 F\n0.660011 0.440467 0.177269 F\n0.001575 0.021247 0.043763 F\n0.607798 0.774207 0.295782 F\n0.928033 0.652930 0.206882 F\n0.149822 0.256067 0.835182 F\n0.389985 0.088374 0.603977 F\n0.121598 0.479975 0.720309 F\n0.435645 0.422253 0.808526 F\n0.074427 0.143982 0.511084 F\n0.357584 0.298628 0.477944 F\n0.910136 0.512947 0.408221 F\n0.586264 0.635767 0.501532 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tl",
"Si",
"F"
],
"chemical_system": "F-Si-Tl",
"density": 6.315302939427183,
"density_atomic": 0.05403448558141712,
"volume": 407.14739417387864,
"volume_molar": 11.14499508082864,
"formula_full": "Tl6 Si2 F14",
"formula_reduced": "Tl3SiF7",
"formula_anonymous": "AB3C7",
"energy": -112.14720143000002,
"energy_per_atom": -5.097600065000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.67920143,
"band_gap": 3.6852,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.543000Z",
"spacegroup": 1
},
{
"id": "mp-1111478",
"created_at": "2022-09-04T14:42:47.363154Z",
"structure_string": "Na2 Ta1 Hg1 F6\n1.0\n0.000000 5.032091 5.032091\n5.032091 0.000000 5.032091\n5.032091 5.032091 0.000000\nNa Ta Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Hg\n0.807119 0.192881 0.192881 F\n0.192881 0.192881 0.807119 F\n0.192881 0.807119 0.807119 F\n0.192881 0.807119 0.192881 F\n0.807119 0.192881 0.807119 F\n0.807119 0.807119 0.192881 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ta",
"Hg",
"F"
],
"chemical_system": "F-Hg-Na-Ta",
"density": 3.5284046843775925,
"density_atomic": 0.03923959764424644,
"volume": 254.84461106512552,
"volume_molar": 15.347101197616396,
"formula_full": "Na2 Ta1 Hg1 F6",
"formula_reduced": "Na2TaHgF6",
"formula_anonymous": "ABC2D6",
"energy": -52.32325039,
"energy_per_atom": -5.232325039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.55125039000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8563971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.085000Z",
"spacegroup": 225
},
{
"id": "mp-1185445",
"created_at": "2022-09-04T14:42:47.376410Z",
"structure_string": "Li1 Tb1 In2\n1.0\n0.000000 3.648161 3.648161\n3.648161 0.000000 3.648161\n3.648161 3.648161 0.000000\nLi Tb In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tb",
"In"
],
"chemical_system": "In-Li-Tb",
"density": 6.763105797280167,
"density_atomic": 0.041191537901171055,
"volume": 97.10732358663118,
"volume_molar": 14.619849286639026,
"formula_full": "Li1 Tb1 In2",
"formula_reduced": "LiTbIn2",
"formula_anonymous": "ABC2",
"energy": -13.56816659,
"energy_per_atom": -3.3920416475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.56816659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.932000Z",
"spacegroup": 225
},
{
"id": "mp-1516677",
"created_at": "2022-09-04T14:42:47.343341Z",
"structure_string": "Ba4 Sr4 Dy4 Bi4 O24\n1.0\n8.606268 0.000000 0.000000\n0.000000 8.613596 0.000000\n0.000000 0.000000 8.614362\nBa Sr Dy Bi O\n4 4 4 4 24\ndirect\n-0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.250024 0.252564 0.250530 Dy\n0.749976 0.747436 0.250530 Dy\n0.749976 0.252564 0.749470 Dy\n0.250024 0.747436 0.749470 Dy\n0.749985 0.746891 0.749399 Bi\n0.250015 0.253109 0.749399 Bi\n0.250015 0.746891 0.250601 Bi\n0.749985 0.253109 0.250601 Bi\n0.994528 0.224243 0.276717 O\n0.005472 0.775757 0.276717 O\n0.005472 0.224243 0.723283 O\n0.994528 0.775757 0.723283 O\n0.274186 0.993319 0.222222 O\n0.274186 0.006681 0.777778 O\n0.725814 0.006681 0.222222 O\n0.725814 0.993319 0.777778 O\n0.214632 0.285896 0.993733 O\n0.785368 0.285896 0.006267 O\n0.214632 0.714104 0.006267 O\n0.785368 0.714104 0.993733 O\n0.506527 0.290501 0.213714 O\n0.493473 0.709499 0.213714 O\n0.493473 0.290501 0.786286 O\n0.506527 0.709499 0.786286 O\n0.214963 0.505397 0.291757 O\n0.214963 0.494603 0.708243 O\n0.785037 0.494603 0.291757 O\n0.785037 0.505397 0.708243 O\n0.290933 0.217248 0.506442 O\n0.709067 0.217248 0.493558 O\n0.290933 0.782752 0.493558 O\n0.709067 0.782752 0.506442 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Dy-O-Sr",
"density": 7.202090816883528,
"density_atomic": 0.06263794612571726,
"volume": 638.5905425397913,
"volume_molar": 9.614205337948476,
"formula_full": "Ba4 Sr4 Dy4 Bi4 O24",
"formula_reduced": "BaSrDyBiO6",
"formula_anonymous": "ABCDE6",
"energy": -280.27088313,
"energy_per_atom": -7.00677207825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.78288313,
"band_gap": 1.8030000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.268000Z",
"spacegroup": 16
},
{
"id": "mp-20764",
"created_at": "2022-09-04T14:42:47.535432Z",
"structure_string": "Yb2 Ce2 Se6\n1.0\n2.017853 -6.937151 0.000000\n2.017853 6.937151 0.000000\n0.000000 0.000000 9.661280\nYb Ce Se\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.248660 0.751340 0.750000 Ce\n0.751340 0.248660 0.250000 Ce\n0.105939 0.894061 0.250000 Se\n0.894061 0.105939 0.750000 Se\n0.649691 0.350309 0.570141 Se\n0.350309 0.649691 0.429859 Se\n0.649691 0.350309 0.929859 Se\n0.350309 0.649691 0.070141 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Yb",
"Ce",
"Se"
],
"chemical_system": "Ce-Se-Yb",
"density": 6.753592788176876,
"density_atomic": 0.03697129498812538,
"volume": 270.4801117518834,
"volume_molar": 16.28869305750372,
"formula_full": "Yb2 Ce2 Se6",
"formula_reduced": "YbCeSe3",
"formula_anonymous": "ABC3",
"energy": -56.16220937,
"energy_per_atom": -5.616220937,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.33020937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.221000Z",
"spacegroup": 63
},
{
"id": "mp-1112893",
"created_at": "2022-09-04T14:42:47.951919Z",
"structure_string": "Cs2 In1 As1 Br6\n1.0\n0.000000 5.756031 5.756031\n5.756031 0.000000 5.756031\n5.756031 5.756031 0.000000\nCs In As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.765695 0.234305 0.234305 Br\n0.234305 0.234305 0.765695 Br\n0.234305 0.765695 0.765695 Br\n0.234305 0.765695 0.234305 Br\n0.765695 0.234305 0.765695 Br\n0.765695 0.765695 0.234305 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"In",
"As",
"Br"
],
"chemical_system": "As-Br-Cs-In",
"density": 4.070516290761492,
"density_atomic": 0.02621806474687961,
"volume": 381.4164049308852,
"volume_molar": 22.969432786669486,
"formula_full": "Cs2 In1 As1 Br6",
"formula_reduced": "Cs2InAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.089324229999995,
"energy_per_atom": -3.3089324229999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.885324229999995,
"band_gap": 0.7186999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.727000Z",
"spacegroup": 225
},
{
"id": "mp-1017510",
"created_at": "2022-09-04T14:42:48.368226Z",
"structure_string": "Mg2 Te2\n1.0\n2.122228 -3.675806 0.000000\n2.122228 3.675806 0.000000\n0.000000 0.000000 6.863667\nMg Te\n2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 4.7110784798275915,
"density_atomic": 0.0373533165422243,
"volume": 107.0855380533182,
"volume_molar": 16.122104587935468,
"formula_full": "Mg2 Te2",
"formula_reduced": "MgTe",
"formula_anonymous": "AB",
"energy": -13.64246631,
"energy_per_atom": -3.4106165775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79846631,
"band_gap": 0.8200000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.449000Z",
"spacegroup": 194
}
]
}