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=spacegroup&page=11532",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=11530",
"results": [
{
"id": "mp-1110681",
"created_at": "2022-09-04T14:42:15.777404Z",
"structure_string": "Rb2 Li1 Pr1 Cl6\n1.0\n0.000000 5.345638 5.345638\n5.345638 0.000000 5.345638\n5.345638 5.345638 0.000000\nRb Li Pr Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pr\n0.743088 0.256912 0.256912 Cl\n0.256912 0.256912 0.743088 Cl\n0.256912 0.743088 0.743088 Cl\n0.256912 0.743088 0.256912 Cl\n0.743088 0.256912 0.743088 Cl\n0.743088 0.743088 0.256912 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Pr",
"Cl"
],
"chemical_system": "Cl-Li-Pr-Rb",
"density": 2.8888538603472482,
"density_atomic": 0.0327319114605678,
"volume": 305.5122525321205,
"volume_molar": 18.39837788653096,
"formula_full": "Rb2 Li1 Pr1 Cl6",
"formula_reduced": "Rb2LiPrCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.06326313999999,
"energy_per_atom": -4.406326313999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.37926314,
"band_gap": 4.8241,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.505000Z",
"spacegroup": 225
},
{
"id": "mp-1114166",
"created_at": "2022-09-04T14:42:15.700516Z",
"structure_string": "Rb2 Tl1 In1 I6\n1.0\n0.000000 6.274868 6.274868\n6.274868 0.000000 6.274868\n6.274868 6.274868 0.000000\nRb Tl In I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 In\n0.735157 0.264843 0.264843 I\n0.264843 0.264843 0.735157 I\n0.264843 0.735157 0.735157 I\n0.264843 0.735157 0.264843 I\n0.735157 0.264843 0.735157 I\n0.735157 0.735157 0.264843 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"In",
"I"
],
"chemical_system": "I-In-Rb-Tl",
"density": 4.2058936248132195,
"density_atomic": 0.020237470161698853,
"volume": 494.13290891100894,
"volume_molar": 29.75737931610354,
"formula_full": "Rb2 Tl1 In1 I6",
"formula_reduced": "Rb2TlInI6",
"formula_anonymous": "ABC2D6",
"energy": -27.45282722,
"energy_per_atom": -2.745282722,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.17882722,
"band_gap": 0.8542000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0178107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.767000Z",
"spacegroup": 225
},
{
"id": "mp-20056",
"created_at": "2022-09-04T14:42:15.734448Z",
"structure_string": "Mg1 Pb2 W1 O6\n1.0\n0.000000 4.042574 4.042574\n4.042574 0.000000 4.042574\n4.042574 4.042574 0.000000\nMg Pb W O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 W\n0.758311 0.241689 0.758311 O\n0.241689 0.241689 0.758311 O\n0.758311 0.758311 0.241689 O\n0.758311 0.241689 0.241689 O\n0.241689 0.758311 0.241689 O\n0.241689 0.758311 0.758311 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mg",
"Pb",
"W",
"O"
],
"chemical_system": "Mg-O-Pb-W",
"density": 9.03019153793083,
"density_atomic": 0.0756826044400132,
"volume": 132.1307594260462,
"volume_molar": 7.957100319893471,
"formula_full": "Mg1 Pb2 W1 O6",
"formula_reduced": "MgPb2WO6",
"formula_anonymous": "ABC2D6",
"energy": -72.97336145,
"energy_per_atom": -7.297336145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.41336145,
"band_gap": 2.7567999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002539,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.826000Z",
"spacegroup": 225
},
{
"id": "mp-865130",
"created_at": "2022-09-04T14:42:55.171147Z",
"structure_string": "Hf2 Mo1 Rh1\n1.0\n0.000000 3.278471 3.278471\n3.278471 0.000000 3.278471\n3.278471 3.278471 0.000000\nHf Mo Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mo",
"Rh"
],
"chemical_system": "Hf-Mo-Rh",
"density": 13.09614665620049,
"density_atomic": 0.056756545789638915,
"volume": 70.47645243996178,
"volume_molar": 10.610477921472382,
"formula_full": "Hf2 Mo1 Rh1",
"formula_reduced": "Hf2MoRh",
"formula_anonymous": "ABC2",
"energy": -40.24469236,
"energy_per_atom": -10.06117309,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.24469236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.219000Z",
"spacegroup": 225
},
{
"id": "mp-864916",
"created_at": "2022-09-04T14:42:22.383998Z",
"structure_string": "Hf2 Tc1 Rh1\n1.0\n0.000000 3.263831 3.263831\n3.263831 0.000000 3.263831\n3.263831 3.263831 0.000000\nHf Tc Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Rh"
],
"chemical_system": "Hf-Rh-Tc",
"density": 13.322360655507753,
"density_atomic": 0.05752372567537893,
"volume": 69.53652519958497,
"volume_molar": 10.468968567829695,
"formula_full": "Hf2 Tc1 Rh1",
"formula_reduced": "Hf2TcRh",
"formula_anonymous": "ABC2",
"energy": -40.75971454,
"energy_per_atom": -10.189928635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.75971454,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.108000Z",
"spacegroup": 225
},
{
"id": "mp-864771",
"created_at": "2022-09-04T14:42:16.033906Z",
"structure_string": "Li1 Yb2 Pd1\n1.0\n0.000000 3.589871 3.589871\n3.589871 0.000000 3.589871\n3.589871 3.589871 0.000000\nLi Yb Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Yb",
"Pd"
],
"chemical_system": "Li-Pd-Yb",
"density": 8.245411262545218,
"density_atomic": 0.04323081942125003,
"volume": 92.52658296904285,
"volume_molar": 13.93020266703487,
"formula_full": "Li1 Yb2 Pd1",
"formula_reduced": "LiYb2Pd",
"formula_anonymous": "ABC2",
"energy": -11.84527991,
"energy_per_atom": -2.9613199775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.84527991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.584000Z",
"spacegroup": 225
},
{
"id": "mp-867904",
"created_at": "2022-09-04T14:42:16.119563Z",
"structure_string": "Al1 Ge1 Ru2\n1.0\n0.000000 3.012986 3.012986\n3.012986 0.000000 3.012986\n3.012986 3.012986 0.000000\nAl Ge Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ge\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ge",
"Ru"
],
"chemical_system": "Al-Ge-Ru",
"density": 9.159919270444506,
"density_atomic": 0.07312041616945314,
"volume": 54.70428383134729,
"volume_molar": 8.235922435184136,
"formula_full": "Al1 Ge1 Ru2",
"formula_reduced": "AlGeRu2",
"formula_anonymous": "ABC2",
"energy": -28.89900761,
"energy_per_atom": -7.2247519025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.89900761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.774000Z",
"spacegroup": 225
},
{
"id": "mp-973572",
"created_at": "2022-09-04T14:42:16.064906Z",
"structure_string": "La2 Tl1 Hg1\n1.0\n0.000000 3.964642 3.964642\n3.964642 0.000000 3.964642\n3.964642 3.964642 0.000000\nLa Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Tl",
"Hg"
],
"chemical_system": "Hg-La-Tl",
"density": 9.096842127253286,
"density_atomic": 0.03209357250586145,
"volume": 124.6355481076298,
"volume_molar": 18.764320360097457,
"formula_full": "La2 Tl1 Hg1",
"formula_reduced": "La2TlHg",
"formula_anonymous": "ABC2",
"energy": -14.37699119,
"energy_per_atom": -3.5942477975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.37699119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.961171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.412000Z",
"spacegroup": 225
},
{
"id": "mp-1187846",
"created_at": "2022-09-04T14:42:16.088162Z",
"structure_string": "Y1 Ho1 In2\n1.0\n0.000000 3.750353 3.750353\n3.750353 0.000000 3.750353\n3.750353 3.750353 0.000000\nY Ho In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ho",
"In"
],
"chemical_system": "Ho-In-Y",
"density": 7.6098157127839015,
"density_atomic": 0.03791521766051713,
"volume": 105.49853717879049,
"volume_molar": 15.88317602161924,
"formula_full": "Y1 Ho1 In2",
"formula_reduced": "YHoIn2",
"formula_anonymous": "ABC2",
"energy": -18.42142809,
"energy_per_atom": -4.6053570225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.42142809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.760000Z",
"spacegroup": 225
},
{
"id": "mp-838",
"created_at": "2022-09-04T14:42:16.134856Z",
"structure_string": "Cu3 Sn1\n1.0\n0.000000 3.083025 3.083025\n3.083025 0.000000 3.083025\n3.083025 3.083025 0.000000\nCu Sn\n3 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 8.764664069004965,
"density_atomic": 0.06824940294542406,
"volume": 58.60857131891129,
"volume_molar": 8.823726655624565,
"formula_full": "Cu3 Sn1",
"formula_reduced": "Cu3Sn",
"formula_anonymous": "AB3",
"energy": -16.0593391,
"energy_per_atom": -4.014834775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0593391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003903,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.881000Z",
"spacegroup": 225
},
{
"id": "mp-865488",
"created_at": "2022-09-04T14:42:16.202862Z",
"structure_string": "Lu1 U1 Tc2\n1.0\n0.000000 3.365266 3.365266\n3.365266 0.000000 3.365266\n3.365266 3.365266 0.000000\nLu U Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 U\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"U",
"Tc"
],
"chemical_system": "Lu-Tc-U",
"density": 13.267078060773347,
"density_atomic": 0.052477338695752725,
"volume": 76.2233775457013,
"volume_molar": 11.475697719570913,
"formula_full": "Lu1 U1 Tc2",
"formula_reduced": "LuUTc2",
"formula_anonymous": "ABC2",
"energy": -36.79719036,
"energy_per_atom": -9.19929759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.79719036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1035487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.563000Z",
"spacegroup": 225
},
{
"id": "mp-865994",
"created_at": "2022-09-04T14:42:16.242595Z",
"structure_string": "Yb1 Sc1 Rh2\n1.0\n0.000000 3.272019 3.272019\n3.272019 0.000000 3.272019\n3.272019 3.272019 0.000000\nYb Sc Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Sc",
"Rh"
],
"chemical_system": "Rh-Sc-Yb",
"density": 10.044762823407899,
"density_atomic": 0.057092958072643966,
"volume": 70.06117978526315,
"volume_molar": 10.547957161963032,
"formula_full": "Yb1 Sc1 Rh2",
"formula_reduced": "YbScRh2",
"formula_anonymous": "ABC2",
"energy": -25.91219814,
"energy_per_atom": -6.478049535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.91219814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.806000Z",
"spacegroup": 225
}
]
}