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=energy&page=10378",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10376",
"results": [
{
"id": "mp-1072598",
"created_at": "2022-09-04T14:42:56.021712Z",
"structure_string": "Er1 Cd1 Ni4\n1.0\n0.000000 3.502286 3.502286\n3.502286 0.000000 3.502286\n3.502286 3.502286 0.000000\nEr Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Cd\n0.625882 0.625882 0.122354 Ni\n0.625882 0.122354 0.625882 Ni\n0.122354 0.625882 0.625882 Ni\n0.625882 0.625882 0.625882 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cd",
"Ni"
],
"chemical_system": "Cd-Er-Ni",
"density": 9.942647584976184,
"density_atomic": 0.06983392150800498,
"volume": 85.91813076560832,
"volume_molar": 8.623517955109666,
"formula_full": "Er1 Cd1 Ni4",
"formula_reduced": "ErCdNi4",
"formula_anonymous": "ABC4",
"energy": -30.81043629,
"energy_per_atom": -5.135072715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.81043629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0203262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.760000Z",
"spacegroup": 216
},
{
"id": "mp-864998",
"created_at": "2022-09-04T14:40:23.607763Z",
"structure_string": "Ca1 Pu1 Rh2\n1.0\n0.000000 3.383922 3.383922\n3.383922 0.000000 3.383922\n3.383922 3.383922 0.000000\nCa Pu Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Pu",
"Rh"
],
"chemical_system": "Ca-Pu-Rh",
"density": 10.49677185318559,
"density_atomic": 0.05161417190207149,
"volume": 77.4980950501206,
"volume_molar": 11.667610925592138,
"formula_full": "Ca1 Pu1 Rh2",
"formula_reduced": "CaPuRh2",
"formula_anonymous": "ABC2",
"energy": -30.80755736,
"energy_per_atom": -7.70188934,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.80755736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5007515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.167000Z",
"spacegroup": 225
},
{
"id": "mp-1223911",
"created_at": "2022-09-04T14:41:57.815564Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n-3.064417 3.064417 5.831896\n3.064417 -3.064417 5.831896\n3.064417 3.064417 -5.831896\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.104632 0.135380 0.502709 Se\n0.632671 0.601923 0.497291 Se\n0.398077 0.895368 0.030748 Se\n0.864620 0.367329 0.969252 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Ga",
"Ag",
"Se"
],
"chemical_system": "Ag-Ga-In-Se",
"density": 5.428349927993341,
"density_atomic": 0.03651947278165153,
"volume": 219.06121284476586,
"volume_molar": 16.49021823509375,
"formula_full": "In1 Ga1 Ag2 Se4",
"formula_reduced": "InGa(AgSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -30.807158450000003,
"energy_per_atom": -3.8508948062500004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.91915845,
"band_gap": 0.1030999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.622000Z",
"spacegroup": 82
},
{
"id": "mp-1183923",
"created_at": "2022-09-04T14:39:08.813376Z",
"structure_string": "Cs1 Ac1 O3\n1.0\n4.870277 0.000000 0.000000\n0.000000 4.870277 0.000000\n0.000000 0.000000 4.870277\nCs Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.499999 0.499999 0.499999 Ac\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Ac",
"O"
],
"chemical_system": "Ac-Cs-O",
"density": 5.863348429784877,
"density_atomic": 0.043282168983802445,
"volume": 115.52101286493193,
"volume_molar": 13.91367600420782,
"formula_full": "Cs1 Ac1 O3",
"formula_reduced": "CsAcO3",
"formula_anonymous": "ABC3",
"energy": -30.80711666,
"energy_per_atom": -6.161423332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.74611666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.809000Z",
"spacegroup": 221
},
{
"id": "mp-1039435",
"created_at": "2022-09-04T14:45:08.724616Z",
"structure_string": "Ce5 Mg1\n1.0\n1.600428 -2.772022 0.000000\n1.600428 2.772022 0.000000\n0.000000 0.000000 17.657273\nCe Mg\n5 1\ndirect\n0.000000 0.000000 0.832860 Ce\n0.666667 0.333333 0.664818 Ce\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.335182 Ce\n0.000000 0.000000 0.167140 Ce\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 7.6830165640777075,
"density_atomic": 0.038297004815613635,
"volume": 156.6702155661481,
"volume_molar": 15.724834850648119,
"formula_full": "Ce5 Mg1",
"formula_reduced": "Ce5Mg",
"formula_anonymous": "AB5",
"energy": -30.80686215,
"energy_per_atom": -5.134477025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.80686215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1074955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.226000Z",
"spacegroup": 187
},
{
"id": "mp-613402",
"created_at": "2022-09-04T14:39:21.208426Z",
"structure_string": "Sr1 Zr1 O3\n1.0\n4.405374 0.000000 0.000000\n0.000000 4.405374 0.000000\n0.000000 0.000000 4.405374\nSr Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"O"
],
"chemical_system": "O-Sr-Zr",
"density": 4.405798138641195,
"density_atomic": 0.0584819239105693,
"volume": 85.49650328956366,
"volume_molar": 10.297439545951109,
"formula_full": "Sr1 Zr1 O3",
"formula_reduced": "SrZrO3",
"formula_anonymous": "ABC3",
"energy": -30.80610248,
"energy_per_atom": -6.161220496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.74510248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0278837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.097000Z",
"spacegroup": 221
},
{
"id": "mp-673825",
"created_at": "2022-09-04T14:43:22.978458Z",
"structure_string": "Ag6 S2 I2\n1.0\n7.168551 -0.029140 7.188220\n3.572598 4.970143 3.585031\n0.178889 -0.012870 7.008691\nAg S I\n6 2 2\ndirect\n0.066861 0.499084 0.003070 Ag\n0.051841 0.383993 0.493115 Ag\n0.543759 0.009374 0.497536 Ag\n0.576216 0.489560 0.004985 Ag\n0.435848 0.616121 0.495286 Ag\n0.938750 0.007667 0.492406 Ag\n0.234272 0.503876 0.503489 S\n0.731463 0.511070 0.505291 S\n0.008776 0.999714 0.997784 I\n0.509476 0.000554 0.997417 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"S",
"I"
],
"chemical_system": "Ag-I-S",
"density": 6.567474042525696,
"density_atomic": 0.0409784275555913,
"volume": 244.03083760190674,
"volume_molar": 14.695880538193833,
"formula_full": "Ag6 S2 I2",
"formula_reduced": "Ag3SI",
"formula_anonymous": "ABC3",
"energy": -30.80563733,
"energy_per_atom": -3.080563733,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.04163733,
"band_gap": 0.2569999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.958000Z",
"spacegroup": 1
},
{
"id": "mp-1023314",
"created_at": "2022-09-04T14:41:52.901572Z",
"structure_string": "Ca2 Mg12 Cu2\n1.0\n4.972532 0.000000 0.000000\n0.000000 6.293360 0.000000\n0.000000 0.000000 11.844225\nCa Mg Cu\n2 12 2\ndirect\n0.000000 0.500000 0.310446 Ca\n0.000000 0.000000 0.810446 Ca\n0.000000 0.745979 0.077132 Mg\n0.000000 0.254021 0.077132 Mg\n0.000000 0.000000 0.340853 Mg\n0.500000 0.243502 0.436177 Mg\n0.500000 0.756498 0.436177 Mg\n0.500000 0.000000 0.182846 Mg\n0.000000 0.245979 0.577132 Mg\n0.000000 0.754021 0.577132 Mg\n0.000000 0.500000 0.840853 Mg\n0.500000 0.743502 0.936177 Mg\n0.500000 0.256498 0.936177 Mg\n0.500000 0.500000 0.682846 Mg\n0.500000 0.500000 0.139237 Cu\n0.500000 0.000000 0.639237 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Cu"
],
"chemical_system": "Ca-Cu-Mg",
"density": 2.235129828328734,
"density_atomic": 0.043167129643852116,
"volume": 370.65239528333404,
"volume_molar": 13.950755608921234,
"formula_full": "Ca2 Mg12 Cu2",
"formula_reduced": "CaMg6Cu",
"formula_anonymous": "ABC6",
"energy": -30.80464566,
"energy_per_atom": -1.92529035375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.80464566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0133688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.691000Z",
"spacegroup": 38
},
{
"id": "mp-1246464",
"created_at": "2022-09-04T14:41:23.565937Z",
"structure_string": "Zn6 Sb2 N2\n1.0\n0.000000 -5.881941 0.000000\n-3.071019 2.940970 -4.471850\n6.142037 0.000000 0.000000\nZn Sb N\n6 2 2\ndirect\n0.207242 0.914482 0.707242 Zn\n0.292758 0.085518 0.292758 Zn\n0.792758 0.085518 0.292758 Zn\n0.707242 0.914482 0.707242 Zn\n0.750000 0.500000 0.186364 Zn\n0.250000 0.500000 0.813636 Zn\n0.250000 0.500000 0.249941 Sb\n0.750000 0.500000 0.750059 Sb\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"N"
],
"chemical_system": "N-Sb-Zn",
"density": 6.824779365390657,
"density_atomic": 0.06189843663980552,
"volume": 161.55496879818156,
"volume_molar": 9.729067625800573,
"formula_full": "Zn6 Sb2 N2",
"formula_reduced": "Zn3SbN",
"formula_anonymous": "ABC3",
"energy": -30.80292236,
"energy_per_atom": -3.080292236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.69692236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.856000Z",
"spacegroup": 74
},
{
"id": "mp-1185505",
"created_at": "2022-09-04T14:43:37.235628Z",
"structure_string": "Lu1 Mn1 Rh2\n1.0\n0.000000 3.202731 3.202731\n3.202731 0.000000 3.202731\n3.202731 3.202731 0.000000\nLu Mn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"Rh"
],
"chemical_system": "Lu-Mn-Rh",
"density": 11.011874782880543,
"density_atomic": 0.06087915352937543,
"volume": 65.70393588126876,
"volume_molar": 9.89195875907538,
"formula_full": "Lu1 Mn1 Rh2",
"formula_reduced": "LuMnRh2",
"formula_anonymous": "ABC2",
"energy": -30.80258896,
"energy_per_atom": -7.70064724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.80258896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3563292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.383000Z",
"spacegroup": 225
},
{
"id": "mp-977435",
"created_at": "2022-09-04T14:44:49.503674Z",
"structure_string": "Zr1 Al1 Rh2\n1.0\n0.000000 3.174681 3.174681\n3.174681 0.000000 3.174681\n3.174681 3.174681 0.000000\nZr Al Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Zr",
"density": 8.407870260654942,
"density_atomic": 0.06250715279874887,
"volume": 63.99267637223213,
"volume_molar": 9.634322618067701,
"formula_full": "Zr1 Al1 Rh2",
"formula_reduced": "ZrAlRh2",
"formula_anonymous": "ABC2",
"energy": -30.80162861,
"energy_per_atom": -7.7004071525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.80162861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0539169,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.349000Z",
"spacegroup": 225
},
{
"id": "mp-1112177",
"created_at": "2022-09-04T14:43:41.225417Z",
"structure_string": "Cs2 Tl2 Br6\n1.0\n0.000000 5.934647 5.934647\n5.934647 0.000000 5.934647\n5.934647 5.934647 0.000000\nCs Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.762963 0.237037 0.237037 Br\n0.237037 0.237037 0.762963 Br\n0.237037 0.762963 0.762963 Br\n0.237037 0.762963 0.237037 Br\n0.762963 0.237037 0.762963 Br\n0.762963 0.762963 0.237037 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Tl",
"Br"
],
"chemical_system": "Br-Cs-Tl",
"density": 4.583959811919858,
"density_atomic": 0.02392133038319555,
"volume": 418.03695027868855,
"volume_molar": 25.174773574593836,
"formula_full": "Cs2 Tl2 Br6",
"formula_reduced": "CsTlBr3",
"formula_anonymous": "ABC3",
"energy": -30.8005807,
"energy_per_atom": -3.08005807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.5965807,
"band_gap": 0.9985,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.781000Z",
"spacegroup": 225
}
]
}