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_uncorrected&page=1761",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=1759",
"results": [
{
"id": "mp-35659",
"created_at": "2022-09-04T14:41:01.177798Z",
"structure_string": "Hg1 Pb1 F6\n1.0\n5.518420 -2.817942 0.000000\n5.518420 2.817942 0.000000\n4.079458 0.000000 4.663880\nHg Pb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n0.108137 0.756449 0.366800 F\n0.366800 0.108137 0.756449 F\n0.756449 0.366800 0.108137 F\n0.243551 0.633200 0.891863 F\n0.633200 0.891863 0.243551 F\n0.891863 0.243551 0.633200 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hg",
"Pb",
"F"
],
"chemical_system": "F-Hg-Pb",
"density": 5.97327776477945,
"density_atomic": 0.055152578650864245,
"volume": 145.0521479810199,
"volume_molar": 10.919055658525647,
"formula_full": "Hg1 Pb1 F6",
"formula_reduced": "HgPbF6",
"formula_anonymous": "ABC6",
"energy": -31.981535630000003,
"energy_per_atom": -3.9976919537500004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.20953563,
"band_gap": 1.3192,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.322000Z",
"spacegroup": 148
},
{
"id": "mp-1112368",
"created_at": "2022-09-04T14:42:57.377944Z",
"structure_string": "Cs3 Ga1 Br6\n1.0\n0.000000 5.973439 5.973439\n5.973439 0.000000 5.973439\n5.973439 5.973439 0.000000\nCs Ga Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Ga\n0.784488 0.215512 0.215512 Br\n0.215512 0.215512 0.784488 Br\n0.215512 0.784488 0.784488 Br\n0.215512 0.784488 0.215512 Br\n0.784488 0.215512 0.784488 Br\n0.784488 0.784488 0.215512 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Ga",
"Br"
],
"chemical_system": "Br-Cs-Ga",
"density": 3.6922537167296587,
"density_atomic": 0.0234583091304784,
"volume": 426.28818404509036,
"volume_molar": 25.671674486443205,
"formula_full": "Cs3 Ga1 Br6",
"formula_reduced": "Cs3GaBr6",
"formula_anonymous": "AB3C6",
"energy": -32.41417828,
"energy_per_atom": -3.2414178280000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21017828,
"band_gap": 2.3433,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.714000Z",
"spacegroup": 225
},
{
"id": "mp-752474",
"created_at": "2022-09-04T14:44:17.399778Z",
"structure_string": "Nb1 O1 F2\n1.0\n-1.704894 1.944452 4.749030\n1.704894 -1.944452 4.749030\n1.704894 1.944452 -4.749030\nNb O F\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.500000 O\n0.133552 0.633552 0.500000 F\n0.866448 0.366448 0.500000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 3.873637942581713,
"density_atomic": 0.06351853571331102,
"volume": 62.973743885625424,
"volume_molar": 9.480918746585642,
"formula_full": "Nb1 O1 F2",
"formula_reduced": "NbOF2",
"formula_anonymous": "ABC2",
"energy": -30.82154379,
"energy_per_atom": -7.7053859475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21054379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.027000Z",
"spacegroup": 71
},
{
"id": "mp-976939",
"created_at": "2022-09-04T14:44:28.923301Z",
"structure_string": "Ho2 Os1 Pt1\n1.0\n0.000000 3.436376 3.436376\n3.436376 0.000000 3.436376\n3.436376 3.436376 0.000000\nHo Os Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Os",
"Pt"
],
"chemical_system": "Ho-Os-Pt",
"density": 14.63285860789209,
"density_atomic": 0.04928649835142733,
"volume": 81.15812917928994,
"volume_molar": 12.218641943398685,
"formula_full": "Ho2 Os1 Pt1",
"formula_reduced": "Ho2OsPt",
"formula_anonymous": "ABC2",
"energy": -29.21267355,
"energy_per_atom": -7.3031683875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21267355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.975000Z",
"spacegroup": 225
},
{
"id": "mp-1110804",
"created_at": "2022-09-04T14:41:19.069617Z",
"structure_string": "Rb2 Ag1 Sb1 Br6\n1.0\n0.000000 5.655269 5.655269\n5.655269 0.000000 5.655269\n5.655269 5.655269 0.000000\nRb Ag Sb Br\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 Ag\n0.000000 0.000000 0.000000 Sb\n0.750924 0.249076 0.249076 Br\n0.249076 0.249076 0.750924 Br\n0.249076 0.750924 0.750924 Br\n0.249076 0.750924 0.249076 Br\n0.750924 0.249076 0.750924 Br\n0.750924 0.750924 0.249076 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Sb",
"Br"
],
"chemical_system": "Ag-Br-Rb-Sb",
"density": 4.039577554820427,
"density_atomic": 0.02764459308921339,
"volume": 361.7343893515976,
"volume_molar": 21.784154104079658,
"formula_full": "Rb2 Ag1 Sb1 Br6",
"formula_reduced": "Rb2AgSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.41743564,
"energy_per_atom": -3.241743564,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21343564,
"band_gap": 1.1538,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.758000Z",
"spacegroup": 225
},
{
"id": "mp-1223244",
"created_at": "2022-09-04T14:45:10.006776Z",
"structure_string": "La2 Al3 Ge1\n1.0\n2.198789 -3.808415 0.000000\n2.198789 3.808415 0.000000\n0.000000 0.000000 8.876100\nLa Al Ge\n2 3 1\ndirect\n0.666667 0.333333 0.249410 La\n0.666667 0.333333 0.750590 La\n0.000000 0.000000 0.500000 Al\n0.333333 0.666667 0.000000 Al\n0.333333 0.666667 0.500000 Al\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-La",
"density": 4.818864996420218,
"density_atomic": 0.040361866873791424,
"volume": 148.655165499692,
"volume_molar": 14.920372189004015,
"formula_full": "La2 Al3 Ge1",
"formula_reduced": "La2Al3Ge",
"formula_anonymous": "AB2C3",
"energy": -29.21476819,
"energy_per_atom": -4.8691280316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21476819,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0491297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.795000Z",
"spacegroup": 187
},
{
"id": "mp-676682",
"created_at": "2022-09-04T14:45:03.236348Z",
"structure_string": "In4 As2 Se2\n1.0\n-3.186213 3.198315 6.432959\n3.186213 -3.198315 6.432959\n3.186213 3.198315 -6.432959\nIn As Se\n4 2 2\ndirect\n0.750000 0.492920 0.742920 In\n0.250000 0.007080 0.757080 In\n0.487337 0.750000 0.237337 In\n0.012663 0.250000 0.262663 In\n0.121970 0.371970 0.750000 As\n0.378030 0.128030 0.250000 As\n0.626996 0.876996 0.750000 Se\n0.873004 0.623004 0.250000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"As",
"Se"
],
"chemical_system": "As-In-Se",
"density": 4.8573296344067725,
"density_atomic": 0.03050866274322287,
"volume": 262.22060492563224,
"volume_molar": 19.739117412931332,
"formula_full": "In4 As2 Se2",
"formula_reduced": "In2AsSe",
"formula_anonymous": "ABC2",
"energy": -30.15976974,
"energy_per_atom": -3.7699712175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21576974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081963,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.416000Z",
"spacegroup": 24
},
{
"id": "mp-1246084",
"created_at": "2022-09-04T14:40:30.930450Z",
"structure_string": "Rb2 Zr1 N2\n1.0\n3.443007 -0.000001 -0.000020\n-1.721504 2.981733 0.000000\n0.000068 0.000039 10.963118\nRb Zr N\n2 1 2\ndirect\n0.666668 0.333334 0.282346 Rb\n0.333332 0.666666 0.717654 Rb\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.896220 N\n0.333333 0.666667 0.103780 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Zr",
"N"
],
"chemical_system": "N-Rb-Zr",
"density": 4.281199084811723,
"density_atomic": 0.04442519379685408,
"volume": 112.54874931697135,
"volume_molar": 13.555688214975106,
"formula_full": "Rb2 Zr1 N2",
"formula_reduced": "Rb2ZrN2",
"formula_anonymous": "AB2C2",
"energy": -29.938372810000004,
"energy_per_atom": -5.9876745620000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21637281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.724000Z",
"spacegroup": 164
},
{
"id": "mp-1217096",
"created_at": "2022-09-04T14:44:13.044246Z",
"structure_string": "Ti2 Fe1 Cu1\n1.0\n2.955706 0.000000 0.000000\n0.000000 2.955706 0.000000\n0.000000 0.000000 6.278231\nTi Fe Cu\n2 1 1\ndirect\n0.500000 0.500000 0.263706 Ti\n0.500000 0.500000 0.736294 Ti\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"Cu"
],
"chemical_system": "Cu-Fe-Ti",
"density": 6.5129871812013,
"density_atomic": 0.07292899586161383,
"volume": 54.847868844789616,
"volume_molar": 8.257539664233542,
"formula_full": "Ti2 Fe1 Cu1",
"formula_reduced": "Ti2FeCu",
"formula_anonymous": "ABC2",
"energy": -29.21729651,
"energy_per_atom": -7.3043241275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21729651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0298256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.799000Z",
"spacegroup": 123
},
{
"id": "mp-975649",
"created_at": "2022-09-04T14:39:25.424806Z",
"structure_string": "Li2 Tm6\n1.0\n3.450859 -5.977064 0.000000\n3.450859 5.977064 0.000000\n0.000000 0.000000 5.455756\nLi Tm\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831862 0.168138 0.750000 Tm\n0.336276 0.168138 0.750000 Tm\n0.831862 0.663724 0.750000 Tm\n0.168138 0.831862 0.250000 Tm\n0.663724 0.831862 0.250000 Tm\n0.168138 0.336276 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Tm"
],
"chemical_system": "Li-Tm",
"density": 7.580982389437272,
"density_atomic": 0.03554593411818992,
"volume": 225.06090213862632,
"volume_molar": 16.941855403142412,
"formula_full": "Li2 Tm6",
"formula_reduced": "LiTm3",
"formula_anonymous": "AB3",
"energy": -29.21961642,
"energy_per_atom": -3.6524520525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21961642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1115272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.389000Z",
"spacegroup": 194
},
{
"id": "mp-33683",
"created_at": "2022-09-04T14:40:31.237638Z",
"structure_string": "Ag2 Sb2 Se4\n1.0\n-2.869752 2.869752 5.884839\n2.869752 -2.869752 5.884839\n2.869752 2.869752 -5.884839\nAg Sb Se\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.753415 0.753415 0.000000 Se\n0.996585 0.496585 0.500000 Se\n0.503415 0.003415 0.500000 Se\n0.246585 0.246585 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"Se"
],
"chemical_system": "Ag-Sb-Se",
"density": 6.639287966234777,
"density_atomic": 0.04126735894286918,
"volume": 193.85781414011146,
"volume_molar": 14.59298805222087,
"formula_full": "Ag2 Sb2 Se4",
"formula_reduced": "AgSbSe2",
"formula_anonymous": "ABC2",
"energy": -31.10782339,
"energy_per_atom": -3.88847792375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.21982339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.806000Z",
"spacegroup": 141
},
{
"id": "mp-27851",
"created_at": "2022-09-04T14:42:40.285226Z",
"structure_string": "Hg6 Se4 Cl4\n1.0\n-4.686698 4.686698 4.686698\n4.686698 -4.686698 4.686698\n4.686698 4.686698 -4.686698\nHg Se Cl\n6 4 4\ndirect\n0.939946 0.250000 0.189946 Hg\n0.750000 0.310054 0.560054 Hg\n0.189946 0.939946 0.250000 Hg\n0.250000 0.189946 0.939946 Hg\n0.310054 0.560054 0.750000 Hg\n0.560054 0.750000 0.310054 Hg\n0.540573 0.500000 0.000000 Se\n0.959427 0.959427 0.959427 Se\n0.500000 0.000000 0.540573 Se\n0.000000 0.540573 0.500000 Se\n0.014027 0.500000 0.000000 Cl\n0.485973 0.485973 0.485973 Cl\n0.000000 0.014027 0.500000 Cl\n0.500000 0.000000 0.014027 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Se",
"Cl"
],
"chemical_system": "Cl-Hg-Se",
"density": 6.698969934257641,
"density_atomic": 0.033999077690639236,
"volume": 411.77587602191153,
"volume_molar": 17.71265919268757,
"formula_full": "Hg6 Se4 Cl4",
"formula_reduced": "Hg3(SeCl)2",
"formula_anonymous": "A2B2C3",
"energy": -33.56420951,
"energy_per_atom": -2.3974435364285713,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.220209510000004,
"band_gap": 1.7701,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011384,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.443000Z",
"spacegroup": 199
}
]
}