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=-elements&page=11558",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=11556",
"results": [
{
"id": "mp-1223768",
"created_at": "2022-09-04T14:46:56.890911Z",
"structure_string": "In1 Ni3\n1.0\n-1.990962 -1.990962 0.000000\n0.000000 1.990962 -1.990962\n3.294028 -5.284989 -5.284989\nIn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.487865 0.243932 0.268203 Ni\n0.000000 0.500000 0.500000 Ni\n0.512135 0.756068 0.731797 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 8.789728317989644,
"density_atomic": 0.07278557404808168,
"volume": 54.95594494257372,
"volume_molar": 8.273810901074729,
"formula_full": "In1 Ni3",
"formula_reduced": "InNi3",
"formula_anonymous": "AB3",
"energy": -18.91036185,
"energy_per_atom": -4.7275904625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91036185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3099343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.102000Z",
"spacegroup": 166
},
{
"id": "mp-21092",
"created_at": "2022-09-04T14:42:19.092260Z",
"structure_string": "In2 Ni4\n1.0\n2.153680 -3.730284 0.000000\n2.153680 3.730284 0.000000\n0.000000 0.000000 5.253157\nIn Ni\n2 4\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.136436439722585,
"density_atomic": 0.07108497279619119,
"volume": 84.4060251271769,
"volume_molar": 8.471749405132604,
"formula_full": "In2 Ni4",
"formula_reduced": "InNi2",
"formula_anonymous": "AB2",
"energy": -28.72027874,
"energy_per_atom": -4.7867131233333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.72027874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010122,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.335000Z",
"spacegroup": 194
},
{
"id": "mp-20812",
"created_at": "2022-09-04T14:40:03.328203Z",
"structure_string": "In1 N1\n1.0\n0.000000 2.354721 2.354721\n2.354721 0.000000 2.354721\n2.354721 2.354721 0.000000\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 8.192187253600032,
"density_atomic": 0.07659168589642538,
"volume": 26.112494803999898,
"volume_molar": 7.8626559652228005,
"formula_full": "In1 N1",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -10.82418329,
"energy_per_atom": -5.412091645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.46318329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001913,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.800000Z",
"spacegroup": 225
},
{
"id": "mp-20411",
"created_at": "2022-09-04T14:46:59.446984Z",
"structure_string": "In1 N1\n1.0\n0.000000 2.527026 2.527026\n2.527026 0.000000 2.527026\n2.527026 2.527026 0.000000\nIn N\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 6.628100893608626,
"density_atomic": 0.061968483631767546,
"volume": 32.27447054997356,
"volume_molar": 9.718070230320768,
"formula_full": "In1 N1",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -11.22628425,
"energy_per_atom": -5.613142125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.86528425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.625000Z",
"spacegroup": 216
},
{
"id": "mp-22205",
"created_at": "2022-09-04T14:39:06.356280Z",
"structure_string": "In2 N2\n1.0\n1.791941 -3.103733 0.000000\n1.791941 3.103733 0.000000\n0.000000 0.000000 5.790932\nIn N\n2 2\ndirect\n0.666667 0.333333 0.500359 In\n0.333333 0.666667 0.000359 In\n0.666667 0.333333 0.879641 N\n0.333333 0.666667 0.379641 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 6.641890506103773,
"density_atomic": 0.062097407646339794,
"volume": 64.4149273151787,
"volume_molar": 9.697893983429376,
"formula_full": "In2 N2",
"formula_reduced": "InN",
"formula_anonymous": "AB",
"energy": -22.49174227,
"energy_per_atom": -5.6229355675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.76974227,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001158,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.116000Z",
"spacegroup": 186
},
{
"id": "mp-975606",
"created_at": "2022-09-04T14:40:02.130337Z",
"structure_string": "In1 N3\n1.0\n3.520330 0.000000 0.000000\n0.000000 3.520330 0.000000\n0.000000 0.000000 3.520330\nIn N\n1 3\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"N"
],
"chemical_system": "In-N",
"density": 5.969672964061151,
"density_atomic": 0.0916874430209657,
"volume": 43.626475646019934,
"volume_molar": 6.568119430076099,
"formula_full": "In1 N3",
"formula_reduced": "InN3",
"formula_anonymous": "AB3",
"energy": -18.35442963,
"energy_per_atom": -4.5886074075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.27142963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.86e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.990000Z",
"spacegroup": 221
},
{
"id": "mp-630976",
"created_at": "2022-09-04T14:44:45.327962Z",
"structure_string": "In12 Ir4\n1.0\n7.116895 0.000000 0.000000\n0.000000 7.116895 0.000000\n0.000000 0.000000 7.321737\nIn Ir\n12 4\ndirect\n0.348262 0.348262 0.255683 In\n0.151738 0.848262 0.755683 In\n0.151738 0.848262 0.244317 In\n0.000000 0.500000 0.000000 In\n0.848262 0.151738 0.244317 In\n0.848262 0.151738 0.755683 In\n0.500000 0.000000 0.000000 In\n0.651738 0.651738 0.255683 In\n0.651738 0.651738 0.744317 In\n0.000000 0.500000 0.500000 In\n0.348262 0.348262 0.744317 In\n0.500000 0.000000 0.500000 In\n0.155071 0.155071 0.000000 Ir\n0.655071 0.344929 0.500000 Ir\n0.344929 0.655071 0.500000 Ir\n0.844929 0.844929 0.000000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 9.612181775388636,
"density_atomic": 0.04314443052231345,
"volume": 370.8474026960471,
"volume_molar": 13.958095371974995,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy": -70.88851807,
"energy_per_atom": -4.430532379375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.88851807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.71e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.626000Z",
"spacegroup": 136
},
{
"id": "mp-636498",
"created_at": "2022-09-04T14:40:58.803667Z",
"structure_string": "In12 Ir4\n1.0\n5.471089 0.000000 0.000000\n0.000000 7.570017 0.000000\n0.000000 0.000000 8.377806\nIn Ir\n12 4\ndirect\n0.636684 0.329402 0.555943 In\n0.095227 0.479728 0.750000 In\n0.863316 0.829402 0.944057 In\n0.904773 0.520272 0.250000 In\n0.136684 0.170598 0.055943 In\n0.404773 0.979728 0.750000 In\n0.363316 0.670598 0.444057 In\n0.595227 0.020272 0.250000 In\n0.863316 0.829402 0.555943 In\n0.636684 0.329402 0.944057 In\n0.136684 0.170598 0.444057 In\n0.363316 0.670598 0.055943 In\n0.440387 0.373261 0.250000 Ir\n0.559613 0.626739 0.750000 Ir\n0.940387 0.126739 0.750000 Ir\n0.059613 0.873261 0.250000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 10.27344932205672,
"density_atomic": 0.04611254040522588,
"volume": 346.97719664533463,
"volume_molar": 13.059659491927532,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy": -70.9127883,
"energy_per_atom": -4.43204926875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.9127883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0281559,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.416000Z",
"spacegroup": 62
},
{
"id": "mp-22812",
"created_at": "2022-09-04T14:48:09.182006Z",
"structure_string": "In8 Ir4\n1.0\n0.000000 4.957755 9.070551\n2.739628 0.000000 9.070551\n2.739628 4.957755 0.000000\nIn Ir\n8 4\ndirect\n0.592954 0.907046 0.592954 In\n0.907046 0.592954 0.907046 In\n0.914507 0.914507 0.085493 In\n0.342954 0.657046 0.342954 In\n0.085493 0.085493 0.914507 In\n0.164507 0.164507 0.335493 In\n0.657046 0.342954 0.657046 In\n0.335493 0.335493 0.164507 In\n0.620160 0.620160 0.879840 Ir\n0.370160 0.370160 0.629840 Ir\n0.879840 0.879840 0.620160 Ir\n0.629840 0.629840 0.370160 Ir\n",
"nsites": 12,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 11.371818201688649,
"density_atomic": 0.048701341413737914,
"volume": 246.39978390030507,
"volume_molar": 12.365451515676826,
"formula_full": "In8 Ir4",
"formula_reduced": "In2Ir",
"formula_anonymous": "AB2",
"energy": -59.30889347,
"energy_per_atom": -4.9424077891666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.30889347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001782,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:39.811000Z",
"spacegroup": 70
},
{
"id": "mp-675332",
"created_at": "2022-09-04T14:42:57.012470Z",
"structure_string": "In6 I24\n1.0\n0.000000 10.215804 10.215804\n10.215804 0.000000 10.215804\n10.215804 10.215804 0.000000\nIn I\n6 24\ndirect\n0.750000 0.250000 0.250000 In\n0.250000 0.250000 0.750000 In\n0.250000 0.750000 0.250000 In\n0.750000 0.250000 0.750000 In\n0.250000 0.750000 0.750000 In\n0.750000 0.750000 0.250000 In\n0.783072 0.561981 0.216928 I\n0.438019 0.561981 0.783072 I\n0.216928 0.783072 0.561981 I\n0.561981 0.783072 0.438019 I\n0.561981 0.216928 0.783072 I\n0.216928 0.561981 0.438019 I\n0.783072 0.438019 0.561981 I\n0.438019 0.783072 0.216928 I\n0.438019 0.216928 0.561981 I\n0.783072 0.216928 0.438019 I\n0.561981 0.438019 0.216928 I\n0.216928 0.438019 0.783072 I\n0.716928 0.061981 0.283072 I\n0.061981 0.283072 0.716928 I\n0.283072 0.061981 0.938019 I\n0.938019 0.283072 0.061981 I\n0.283072 0.716928 0.061981 I\n0.938019 0.061981 0.716928 I\n0.061981 0.938019 0.283072 I\n0.716928 0.283072 0.938019 I\n0.061981 0.716928 0.938019 I\n0.938019 0.716928 0.283072 I\n0.716928 0.938019 0.061981 I\n0.283072 0.938019 0.716928 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 2.908354325666624,
"density_atomic": 0.014069336053676674,
"volume": 2132.2967825592764,
"volume_molar": 42.80330455555692,
"formula_full": "In6 I24",
"formula_reduced": "InI4",
"formula_anonymous": "AB4",
"energy": -69.12551628,
"energy_per_atom": -2.304183876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.02951628000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.0454783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.888000Z",
"spacegroup": 226
},
{
"id": "mp-23202",
"created_at": "2022-09-04T14:45:20.901653Z",
"structure_string": "In2 I2\n1.0\n2.429400 -6.499543 0.000000\n2.429400 6.499543 0.000000\n0.000000 0.000000 4.952369\nIn I\n2 2\ndirect\n0.395410 0.604590 0.750000 In\n0.604590 0.395410 0.250000 In\n0.142791 0.857209 0.750000 I\n0.857209 0.142791 0.250000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 5.133000138027742,
"density_atomic": 0.02557614884787906,
"volume": 156.39571163708277,
"volume_molar": 23.54592474347206,
"formula_full": "In2 I2",
"formula_reduced": "InI",
"formula_anonymous": "AB",
"energy": -11.17605535,
"energy_per_atom": -2.7940138375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.41805535,
"band_gap": 1.3412000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.888000Z",
"spacegroup": 63
},
{
"id": "mp-567789",
"created_at": "2022-09-04T14:40:44.193461Z",
"structure_string": "In4 I12\n1.0\n6.650673 0.000000 0.000000\n0.000000 10.322697 0.000000\n0.000000 3.900882 12.306968\nIn I\n4 12\ndirect\n0.000487 0.201212 0.950959 In\n0.999513 0.798788 0.049041 In\n0.499513 0.201212 0.450959 In\n0.500487 0.798788 0.549041 In\n0.752681 0.670790 0.710493 I\n0.277148 0.000329 0.616172 I\n0.751821 0.331588 0.548617 I\n0.252681 0.329210 0.789507 I\n0.747319 0.670790 0.210493 I\n0.722852 0.999671 0.383828 I\n0.251821 0.668412 0.951383 I\n0.777148 0.999671 0.883828 I\n0.748179 0.331588 0.048617 I\n0.247319 0.329210 0.289507 I\n0.248179 0.668412 0.451383 I\n0.222852 0.000329 0.116172 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 3.8955647805972493,
"density_atomic": 0.018936954536595208,
"volume": 844.9088246518406,
"volume_molar": 31.80099919637214,
"formula_full": "In4 I12",
"formula_reduced": "InI3",
"formula_anonymous": "AB3",
"energy": -41.821058650000005,
"energy_per_atom": -2.6138161656250003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.27305865,
"band_gap": 2.2833,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016106,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.210000Z",
"spacegroup": 14
}
]
}