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=10246",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10244",
"results": [
{
"id": "mp-1186572",
"created_at": "2022-09-04T14:42:06.234104Z",
"structure_string": "Pm2 Eu6\n1.0\n3.819655 -6.615836 0.000000\n3.819655 6.615836 0.000000\n0.000000 0.000000 6.175876\nPm Eu\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.169554 0.339109 0.250000 Eu\n0.660891 0.830446 0.250000 Eu\n0.169554 0.830446 0.250000 Eu\n0.830446 0.660891 0.750000 Eu\n0.339109 0.169554 0.750000 Eu\n0.830446 0.169554 0.750000 Eu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Eu"
],
"chemical_system": "Eu-Pm",
"density": 6.393491362130671,
"density_atomic": 0.025630233016183057,
"volume": 312.1313799585341,
"volume_molar": 23.496238821541695,
"formula_full": "Pm2 Eu6",
"formula_reduced": "PmEu3",
"formula_anonymous": "AB3",
"energy": -70.52509532,
"energy_per_atom": -8.815636915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.52509532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.760658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.463000Z",
"spacegroup": 194
},
{
"id": "mp-1183520",
"created_at": "2022-09-04T14:42:06.316504Z",
"structure_string": "Ca6 Lu2\n1.0\n3.753367 -6.501023 0.000000\n3.753367 6.501023 0.000000\n0.000000 0.000000 6.214198\nCa Lu\n6 2\ndirect\n0.340770 0.170385 0.750000 Ca\n0.829615 0.659230 0.750000 Ca\n0.170385 0.829615 0.250000 Ca\n0.659230 0.829615 0.250000 Ca\n0.170385 0.340770 0.250000 Ca\n0.829615 0.170385 0.750000 Ca\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Lu"
],
"chemical_system": "Ca-Lu",
"density": 3.2328019626394657,
"density_atomic": 0.02637984082025058,
"volume": 303.2618754036897,
"volume_molar": 22.828571260282516,
"formula_full": "Ca6 Lu2",
"formula_reduced": "Ca3Lu",
"formula_anonymous": "AB3",
"energy": -19.88988416,
"energy_per_atom": -2.48623552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.88988416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2004842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.509000Z",
"spacegroup": 194
},
{
"id": "mp-6345",
"created_at": "2022-09-04T14:42:06.178069Z",
"structure_string": "Ba6 Tb2 Ru4 O18\n1.0\n2.983358 -5.167328 0.000000\n2.983358 5.167328 0.000000\n0.000000 0.000000 14.640014\nBa Tb Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.595372 Ba\n0.000000 0.000000 0.250000 Ba\n0.666667 0.333333 0.404628 Ba\n0.666667 0.333333 0.095372 Ba\n0.333333 0.666667 0.904628 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.333333 0.666667 0.335433 Ru\n0.666667 0.333333 0.835433 Ru\n0.666667 0.333333 0.664567 Ru\n0.333333 0.666667 0.164567 Ru\n0.176450 0.823550 0.088664 O\n0.176450 0.352901 0.088664 O\n0.647099 0.823550 0.088664 O\n0.352901 0.176450 0.588664 O\n0.823550 0.647099 0.911336 O\n0.823550 0.176450 0.588664 O\n0.823550 0.647099 0.588664 O\n0.176450 0.823550 0.411336 O\n0.647099 0.823550 0.411336 O\n0.352901 0.176450 0.911336 O\n0.823550 0.176450 0.911336 O\n0.176450 0.352901 0.411336 O\n0.490240 0.980479 0.250000 O\n0.509760 0.490240 0.750000 O\n0.980479 0.490240 0.750000 O\n0.019521 0.509760 0.250000 O\n0.490240 0.509760 0.250000 O\n0.509760 0.019521 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Tb",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Tb",
"density": 6.747220974932335,
"density_atomic": 0.06646275904676135,
"volume": 451.3805991546759,
"volume_molar": 9.06092501480865,
"formula_full": "Ba6 Tb2 Ru4 O18",
"formula_reduced": "Ba3TbRu2O9",
"formula_anonymous": "AB2C3D9",
"energy": -225.7547423,
"energy_per_atom": -7.525158076666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.3887423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0030668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.991000Z",
"spacegroup": 194
},
{
"id": "mp-978270",
"created_at": "2022-09-04T14:42:06.363948Z",
"structure_string": "Mg2 Zr6\n1.0\n3.181097 -5.509822 0.000000\n3.181097 5.509822 0.000000\n0.000000 0.000000 5.168516\nMg Zr\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.168279 0.336558 0.250000 Zr\n0.168279 0.831721 0.250000 Zr\n0.663442 0.831721 0.250000 Zr\n0.336558 0.168279 0.750000 Zr\n0.831721 0.168279 0.750000 Zr\n0.831721 0.663442 0.750000 Zr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 5.461997474029428,
"density_atomic": 0.04415497522390889,
"volume": 181.18003598534887,
"volume_molar": 13.638645995070453,
"formula_full": "Mg2 Zr6",
"formula_reduced": "MgZr3",
"formula_anonymous": "AB3",
"energy": -54.2158196,
"energy_per_atom": -6.77697745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.2158196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2046328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.824000Z",
"spacegroup": 194
},
{
"id": "mp-1205546",
"created_at": "2022-09-04T14:42:06.434840Z",
"structure_string": "Ho4 Co4 I2\n1.0\n1.968911 -3.410253 0.000000\n1.968911 3.410253 0.000000\n0.000000 0.000000 16.947213\nHo Co I\n4 4 2\ndirect\n0.000000 0.000000 0.102409 Ho\n0.000000 0.000000 0.897591 Ho\n0.000000 0.000000 0.602409 Ho\n0.000000 0.000000 0.397591 Ho\n0.333333 0.666667 0.501458 Co\n0.666667 0.333333 0.498542 Co\n0.666667 0.333333 0.001458 Co\n0.333333 0.666667 0.998542 Co\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Co",
"I"
],
"chemical_system": "Co-Ho-I",
"density": 8.385472788423456,
"density_atomic": 0.04393989668899718,
"volume": 227.58360291056536,
"volume_molar": 13.705404913953704,
"formula_full": "Ho4 Co4 I2",
"formula_reduced": "Ho2Co2I",
"formula_anonymous": "AB2C2",
"energy": -56.53697312,
"energy_per_atom": -5.653697312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.77897312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3995876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.795000Z",
"spacegroup": 194
},
{
"id": "mp-1077167",
"created_at": "2022-09-04T14:42:06.662095Z",
"structure_string": "Tm2 Cu2 Sn2\n1.0\n2.248621 -3.894726 0.000000\n2.248621 3.894726 0.000000\n0.000000 0.000000 7.230021\nTm Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Tm\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Tm",
"density": 9.209981703466509,
"density_atomic": 0.047379287339302835,
"volume": 126.6376160753854,
"volume_molar": 12.710492491946827,
"formula_full": "Tm2 Cu2 Sn2",
"formula_reduced": "TmCuSn",
"formula_anonymous": "ABC",
"energy": -28.33047982,
"energy_per_atom": -4.7217466366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.33047982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.025000Z",
"spacegroup": 194
},
{
"id": "mp-1205726",
"created_at": "2022-09-04T14:42:06.690061Z",
"structure_string": "Y4 Co4 I2\n1.0\n1.977580 -3.425270 0.000000\n1.977580 3.425270 0.000000\n0.000000 0.000000 16.995219\nY Co I\n4 4 2\ndirect\n0.000000 0.000000 0.103513 Y\n0.000000 0.000000 0.896487 Y\n0.000000 0.000000 0.603513 Y\n0.000000 0.000000 0.396487 Y\n0.333333 0.666667 0.501784 Co\n0.666667 0.333333 0.498216 Co\n0.666667 0.333333 0.001784 Co\n0.333333 0.666667 0.998216 Co\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Co",
"I"
],
"chemical_system": "Co-I-Y",
"density": 6.095439567335929,
"density_atomic": 0.04343245386328274,
"volume": 230.24257463043958,
"volume_molar": 13.865531933693122,
"formula_full": "Y4 Co4 I2",
"formula_reduced": "Y2Co2I",
"formula_anonymous": "AB2C2",
"energy": -63.97785925,
"energy_per_atom": -6.397785925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.21985925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1333964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.709000Z",
"spacegroup": 194
},
{
"id": "mp-1218034",
"created_at": "2022-09-04T14:42:06.708349Z",
"structure_string": "Ta4 V6 Cu2\n1.0\n2.473983 -4.285064 0.000000\n2.473983 4.285064 0.000000\n0.000000 0.000000 8.388912\nTa V Cu\n4 6 2\ndirect\n0.333333 0.666667 0.441011 Ta\n0.666667 0.333333 0.558989 Ta\n0.666667 0.333333 0.941011 Ta\n0.333333 0.666667 0.058989 Ta\n0.826125 0.173875 0.250000 V\n0.826125 0.652251 0.250000 V\n0.347749 0.173875 0.250000 V\n0.173875 0.826125 0.750000 V\n0.173875 0.347749 0.750000 V\n0.652251 0.826125 0.750000 V\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"V",
"Cu"
],
"chemical_system": "Cu-Ta-V",
"density": 10.797352708319842,
"density_atomic": 0.06746702932383424,
"volume": 177.8646565628573,
"volume_molar": 8.92604998375487,
"formula_full": "Ta4 V6 Cu2",
"formula_reduced": "Ta2V3Cu",
"formula_anonymous": "AB2C3",
"energy": -110.46197137,
"energy_per_atom": -9.205164280833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.46197137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.962000Z",
"spacegroup": 194
},
{
"id": "mp-1192463",
"created_at": "2022-09-04T14:42:06.754003Z",
"structure_string": "Zr18 B2 Mo8\n1.0\n4.320835 -7.483906 0.000000\n4.320835 7.483906 0.000000\n0.000000 0.000000 8.612809\nZr B Mo\n18 2 8\ndirect\n0.203078 0.796922 0.443926 Zr\n0.203078 0.406156 0.443926 Zr\n0.593844 0.796922 0.443926 Zr\n0.796922 0.203078 0.556074 Zr\n0.796922 0.593844 0.556074 Zr\n0.406156 0.203078 0.556074 Zr\n0.796922 0.203078 0.943926 Zr\n0.796922 0.593844 0.943926 Zr\n0.406156 0.203078 0.943926 Zr\n0.203078 0.796922 0.056074 Zr\n0.203078 0.406156 0.056074 Zr\n0.593844 0.796922 0.056074 Zr\n0.538454 0.461546 0.250000 Zr\n0.538454 0.076908 0.250000 Zr\n0.923092 0.461546 0.250000 Zr\n0.461546 0.538454 0.750000 Zr\n0.461546 0.923092 0.750000 Zr\n0.076908 0.538454 0.750000 Zr\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.889887 0.110113 0.250000 Mo\n0.889887 0.779773 0.250000 Mo\n0.220227 0.110113 0.250000 Mo\n0.110113 0.889887 0.750000 Mo\n0.110113 0.220227 0.750000 Mo\n0.779773 0.889887 0.750000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Zr",
"B",
"Mo"
],
"chemical_system": "B-Mo-Zr",
"density": 7.247601761642294,
"density_atomic": 0.050267491503745786,
"volume": 557.0200374513123,
"volume_molar": 11.980189541686695,
"formula_full": "Zr18 B2 Mo8",
"formula_reduced": "Zr9BMo4",
"formula_anonymous": "AB4C9",
"energy": -257.56700174,
"energy_per_atom": -9.198821490714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -257.56700174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4283621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.370000Z",
"spacegroup": 194
},
{
"id": "mp-867345",
"created_at": "2022-09-04T14:42:06.912766Z",
"structure_string": "Tc2 Ir6\n1.0\n2.764082 -4.787531 0.000000\n2.764082 4.787531 0.000000\n0.000000 0.000000 4.383432\nTc Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167099 0.334197 0.250000 Ir\n0.665803 0.832901 0.250000 Ir\n0.167099 0.832901 0.250000 Ir\n0.832901 0.665803 0.750000 Ir\n0.334197 0.167099 0.750000 Ir\n0.832901 0.167099 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc",
"density": 19.313076921882722,
"density_atomic": 0.06895776795556705,
"volume": 116.01303576349515,
"volume_molar": 8.733085392033523,
"formula_full": "Tc2 Ir6",
"formula_reduced": "TcIr3",
"formula_anonymous": "AB3",
"energy": -75.14594649,
"energy_per_atom": -9.39324331125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.14594649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.746000Z",
"spacegroup": 194
},
{
"id": "mp-1187478",
"created_at": "2022-09-04T14:42:07.216027Z",
"structure_string": "Ti2 Cd6\n1.0\n3.101575 -5.372086 0.000000\n3.101575 5.372086 0.000000\n0.000000 0.000000 4.831737\nTi Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n0.169984 0.339968 0.250000 Cd\n0.660032 0.830016 0.250000 Cd\n0.169984 0.830016 0.250000 Cd\n0.830016 0.660032 0.750000 Cd\n0.339968 0.169984 0.750000 Cd\n0.830016 0.169984 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Cd"
],
"chemical_system": "Cd-Ti",
"density": 7.943174167595693,
"density_atomic": 0.04968570546350331,
"volume": 161.0121044950526,
"volume_molar": 12.120469466662945,
"formula_full": "Ti2 Cd6",
"formula_reduced": "TiCd3",
"formula_anonymous": "AB3",
"energy": -20.95469012,
"energy_per_atom": -2.619336265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.95469012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0557051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.784000Z",
"spacegroup": 194
},
{
"id": "mp-1187218",
"created_at": "2022-09-04T14:42:07.187793Z",
"structure_string": "Ta6 C2\n1.0\n2.724089 -4.718260 0.000000\n2.724089 4.718260 0.000000\n0.000000 0.000000 4.703156\nTa C\n6 2\ndirect\n0.167384 0.334767 0.250000 Ta\n0.665233 0.832616 0.250000 Ta\n0.167384 0.832616 0.250000 Ta\n0.832616 0.665233 0.750000 Ta\n0.334767 0.167384 0.750000 Ta\n0.832616 0.167384 0.750000 Ta\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"C"
],
"chemical_system": "C-Ta",
"density": 15.241774749085847,
"density_atomic": 0.06617096155573272,
"volume": 120.89895343687837,
"volume_molar": 9.100881441669591,
"formula_full": "Ta6 C2",
"formula_reduced": "Ta3C",
"formula_anonymous": "AB3",
"energy": -81.76929036,
"energy_per_atom": -10.221161295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.76929036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.073000Z",
"spacegroup": 194
}
]
}