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=-id&page=138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=136",
"results": [
{
"id": "mp-978997",
"created_at": "2022-09-04T14:48:27.077345Z",
"structure_string": "Sm2 Ni4 Bi4\n1.0\n4.640141 0.000000 0.000000\n0.000000 4.640141 0.000000\n0.000000 0.000000 10.158114\nSm Ni Bi\n2 4 4\ndirect\n0.000000 0.500000 0.769860 Sm\n0.500000 0.000000 0.230140 Sm\n0.000000 0.500000 0.374909 Ni\n0.500000 0.000000 0.625091 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.125489 Bi\n0.500000 0.000000 0.874511 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Bi\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Sm",
"density": 10.412202800412981,
"density_atomic": 0.0457219308254876,
"volume": 218.71342306536013,
"volume_molar": 13.171230198010294,
"formula_full": "Sm2 Ni4 Bi4",
"formula_reduced": "Sm(NiBi)2",
"formula_anonymous": "AB2C2",
"energy": -51.10152352,
"energy_per_atom": -5.110152352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.10152352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1653743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.545000Z",
"spacegroup": 129
},
{
"id": "mp-978995",
"created_at": "2022-09-04T14:41:58.817083Z",
"structure_string": "Tm1 Mn1 Rh2\n1.0\n0.000000 3.224672 3.224672\n3.224672 0.000000 3.224672\n3.224672 3.224672 0.000000\nTm Mn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Rh"
],
"chemical_system": "Mn-Rh-Tm",
"density": 10.639246992571934,
"density_atomic": 0.059644905633398665,
"volume": 67.06356490167983,
"volume_molar": 10.096655692632787,
"formula_full": "Tm1 Mn1 Rh2",
"formula_reduced": "TmMnRh2",
"formula_anonymous": "ABC2",
"energy": -30.62686208,
"energy_per_atom": -7.65671552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.62686208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5962463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.479000Z",
"spacegroup": 225
},
{
"id": "mp-978994",
"created_at": "2022-09-04T14:41:29.756288Z",
"structure_string": "Tm1 Pa3\n1.0\n4.706554 0.000000 0.000000\n0.000000 4.706554 0.000000\n0.000000 0.000000 4.706554\nTm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Pa"
],
"chemical_system": "Pa-Tm",
"density": 13.729929590775452,
"density_atomic": 0.0383663826293875,
"volume": 104.25793952584209,
"volume_molar": 15.69639967930472,
"formula_full": "Tm1 Pa3",
"formula_reduced": "TmPa3",
"formula_anonymous": "AB3",
"energy": -32.36653838,
"energy_per_atom": -8.091634595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.36653838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030202,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.985000Z",
"spacegroup": 221
},
{
"id": "mp-978993",
"created_at": "2022-09-04T14:41:06.460401Z",
"structure_string": "Th3 S1\n1.0\n-2.333949 2.333949 4.972929\n2.333949 -2.333949 4.972929\n2.333949 2.333949 -4.972929\nTh S\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"S"
],
"chemical_system": "S-Th",
"density": 11.15918252417213,
"density_atomic": 0.03691518230461919,
"volume": 108.35650131678968,
"volume_molar": 16.31345257977082,
"formula_full": "Th3 S1",
"formula_reduced": "Th3S",
"formula_anonymous": "AB3",
"energy": -27.57258822,
"energy_per_atom": -6.893147055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.06958822,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.455000Z",
"spacegroup": 139
},
{
"id": "mp-978992",
"created_at": "2022-09-04T14:42:09.784897Z",
"structure_string": "Sn2 H8\n1.0\n4.050112 0.000000 0.000000\n0.000000 4.644180 0.000000\n0.000000 0.274646 6.206968\nSn H\n2 8\ndirect\n0.250000 0.239571 0.572248 Sn\n0.750000 0.760429 0.427752 Sn\n0.250000 0.370482 0.009666 H\n0.250000 0.363292 0.130924 H\n0.750000 0.134715 0.932547 H\n0.750000 0.124158 0.054620 H\n0.250000 0.875842 0.945380 H\n0.250000 0.865285 0.067453 H\n0.750000 0.636708 0.869076 H\n0.750000 0.629518 0.990334 H\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sn",
"H"
],
"chemical_system": "H-Sn",
"density": 3.4915306281156218,
"density_atomic": 0.08565336246453446,
"volume": 116.7496489602564,
"volume_molar": 7.030828197192516,
"formula_full": "Sn2 H8",
"formula_reduced": "SnH4",
"formula_anonymous": "AB4",
"energy": -34.59892233,
"energy_per_atom": -3.459892233,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.16692233,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.793000Z",
"spacegroup": 11
},
{
"id": "mp-978991",
"created_at": "2022-09-04T14:48:08.755330Z",
"structure_string": "Tm1 Mg5\n1.0\n1.696521 6.099730 0.000000\n-1.696521 6.099730 0.000000\n0.000000 2.076682 7.097724\nTm Mg\n1 5\ndirect\n0.621022 0.621022 0.257666 Tm\n0.986097 0.986097 0.009727 Mg\n0.288656 0.288656 0.924443 Mg\n0.658056 0.658056 0.685770 Mg\n0.947278 0.947278 0.604566 Mg\n0.332225 0.332225 0.351161 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 3.283335743538572,
"density_atomic": 0.04084437883741728,
"volume": 146.89903900566696,
"volume_molar": 14.744111506680948,
"formula_full": "Tm1 Mg5",
"formula_reduced": "TmMg5",
"formula_anonymous": "AB5",
"energy": -12.46280702,
"energy_per_atom": -2.0771345033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.46280702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.248000Z",
"spacegroup": 8
},
{
"id": "mp-978990",
"created_at": "2022-09-04T14:47:00.653405Z",
"structure_string": "Tl4 I6 O18\n1.0\n7.218815 0.000000 0.000000\n-2.211729 -6.903970 0.000000\n-3.136449 0.378694 -10.223285\nTl I O\n4 6 18\ndirect\n0.000000 0.500000 0.000000 Tl\n0.159310 0.468855 0.398607 Tl\n0.840690 0.531145 0.601393 Tl\n0.500000 0.000000 0.000000 Tl\n0.412156 0.053135 0.629980 I\n0.587844 0.946865 0.370020 I\n0.446193 0.537965 0.808429 I\n0.553807 0.462035 0.191571 I\n0.034081 0.975118 0.190996 I\n0.965919 0.024882 0.809004 I\n0.337244 0.935831 0.391780 O\n0.662756 0.064169 0.608220 O\n0.589718 0.700563 0.416728 O\n0.410282 0.299437 0.583272 O\n0.922619 0.711892 0.186804 O\n0.077381 0.288108 0.813196 O\n0.960044 0.048965 0.325315 O\n0.039956 0.951035 0.674685 O\n0.287494 0.353354 0.190991 O\n0.712506 0.646646 0.809009 O\n0.680020 0.334012 0.324671 O\n0.319980 0.665988 0.675329 O\n0.564377 0.327241 0.050533 O\n0.435623 0.672759 0.949467 O\n0.843115 0.047588 0.049991 O\n0.156885 0.952412 0.950009 O\n0.466769 0.876551 0.191374 O\n0.533231 0.123449 0.808626 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"I",
"O"
],
"chemical_system": "I-O-Tl",
"density": 6.084520060966665,
"density_atomic": 0.05495443608004159,
"volume": 509.51300745253343,
"volume_molar": 10.958425178321733,
"formula_full": "Tl4 I6 O18",
"formula_reduced": "Tl2(IO3)3",
"formula_anonymous": "A2B3C9",
"energy": -133.9588042,
"energy_per_atom": -4.784243007142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.5928042,
"band_gap": 1.9192000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008248,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.126000Z",
"spacegroup": 2
},
{
"id": "mp-978989",
"created_at": "2022-09-04T14:41:07.368963Z",
"structure_string": "Tc14 B6\n1.0\n3.758515 -6.509939 0.000000\n3.758515 6.509939 0.000000\n0.000000 0.000000 4.866513\nTc B\n14 6\ndirect\n0.545647 0.454353 0.048915 Tc\n0.454353 0.545647 0.548915 Tc\n0.545647 0.091293 0.048915 Tc\n0.908707 0.454353 0.048915 Tc\n0.091293 0.545647 0.548915 Tc\n0.454353 0.908707 0.548915 Tc\n0.123641 0.876359 0.254315 Tc\n0.876359 0.123641 0.754315 Tc\n0.123641 0.247282 0.254315 Tc\n0.752718 0.876359 0.254315 Tc\n0.247282 0.123641 0.754315 Tc\n0.876359 0.752718 0.754315 Tc\n0.333333 0.666667 0.082829 Tc\n0.666667 0.333333 0.582829 Tc\n0.810558 0.621116 0.339820 B\n0.189442 0.810558 0.839820 B\n0.810558 0.189442 0.339820 B\n0.378884 0.189442 0.339820 B\n0.621116 0.810558 0.839820 B\n0.189442 0.378884 0.839820 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tc",
"B"
],
"chemical_system": "B-Tc",
"density": 10.01899766429473,
"density_atomic": 0.0839825206099175,
"volume": 238.1447931635217,
"volume_molar": 7.170707328459067,
"formula_full": "Tc14 B6",
"formula_reduced": "Tc7B3",
"formula_anonymous": "A3B7",
"energy": -191.49584039,
"energy_per_atom": -9.5747920195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.49584039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022965,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.367000Z",
"spacegroup": 186
},
{
"id": "mp-978988",
"created_at": "2022-09-04T14:44:11.811692Z",
"structure_string": "Tb1 Tm1 Hg2\n1.0\n0.000000 3.710871 3.710871\n3.710871 0.000000 3.710871\n3.710871 3.710871 0.000000\nTb Tm Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Tm",
"Hg"
],
"chemical_system": "Hg-Tb-Tm",
"density": 11.845206189937034,
"density_atomic": 0.03913834197511886,
"volume": 102.20157007527023,
"volume_molar": 15.386806022157028,
"formula_full": "Tb1 Tm1 Hg2",
"formula_reduced": "TbTmHg2",
"formula_anonymous": "ABC2",
"energy": -11.62621376,
"energy_per_atom": -2.90655344,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.62621376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.732000Z",
"spacegroup": 225
},
{
"id": "mp-978987",
"created_at": "2022-09-04T14:41:51.968362Z",
"structure_string": "Sr1 Ge3 Pd1\n1.0\n-2.255226 2.255226 5.213573\n2.255226 -2.255226 5.213573\n2.255226 2.255226 -5.213573\nSr Ge Pd\n1 3 1\ndirect\n0.999942 0.999942 0.000000 Sr\n0.399825 0.399825 0.000000 Ge\n0.753516 0.253516 0.500000 Ge\n0.253516 0.753516 0.500000 Ge\n0.640898 0.640898 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sr",
"density": 6.449537276273672,
"density_atomic": 0.047140524963600036,
"volume": 106.06585318811773,
"volume_molar": 12.774869954566794,
"formula_full": "Sr1 Ge3 Pd1",
"formula_reduced": "SrGe3Pd",
"formula_anonymous": "ABC3",
"energy": -23.5031058,
"energy_per_atom": -4.70062116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.5031058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.271000Z",
"spacegroup": 107
},
{
"id": "mp-978986",
"created_at": "2022-09-04T14:41:32.657295Z",
"structure_string": "Sr1 Ge2 Pd2\n1.0\n-2.219336 2.219336 5.149428\n2.219336 -2.219336 5.149428\n2.219336 2.219336 -5.149428\nSr Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.629430 0.629430 0.000000 Ge\n0.370570 0.370570 0.000000 Ge\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sr",
"density": 7.295677176868866,
"density_atomic": 0.04928388176269454,
"volume": 101.45304755163893,
"volume_molar": 12.219290657738862,
"formula_full": "Sr1 Ge2 Pd2",
"formula_reduced": "Sr(GePd)2",
"formula_anonymous": "AB2C2",
"energy": -24.8627221,
"energy_per_atom": -4.97254442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.8627221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.948000Z",
"spacegroup": 139
},
{
"id": "mp-978985",
"created_at": "2022-09-04T14:40:31.310175Z",
"structure_string": "Sn2 Br4\n1.0\n7.094332 0.000000 0.000000\n0.000000 7.094332 0.000000\n0.000000 0.000000 4.491516\nSn Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.299179 0.299179 0.000000 Br\n0.700821 0.700821 0.000000 Br\n0.200821 0.799179 0.500000 Br\n0.799179 0.200821 0.500000 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sn",
"Br"
],
"chemical_system": "Br-Sn",
"density": 4.091818792128051,
"density_atomic": 0.02654210005004045,
"volume": 226.05596349527949,
"volume_molar": 22.689013863433242,
"formula_full": "Sn2 Br4",
"formula_reduced": "SnBr2",
"formula_anonymous": "AB2",
"energy": -21.3380306,
"energy_per_atom": -3.5563384333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2020306,
"band_gap": 1.656,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.543000Z",
"spacegroup": 136
}
]
}