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=-volume&page=10261",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10259",
"results": [
{
"id": "mp-1185209",
"created_at": "2022-09-04T14:39:14.975870Z",
"structure_string": "Li4 Zn2 Si2\n1.0\n2.114245 -3.661980 0.000000\n2.114245 3.661980 0.000000\n0.000000 0.000000 8.191960\nLi Zn Si\n4 2 2\ndirect\n0.333333 0.666667 0.082924 Li\n0.333333 0.666667 0.417076 Li\n0.666667 0.333333 0.582924 Li\n0.666667 0.333333 0.917076 Li\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Si"
],
"chemical_system": "Li-Si-Zn",
"density": 2.811248507871198,
"density_atomic": 0.0630668134334454,
"volume": 126.84959909132597,
"volume_molar": 9.548826763469165,
"formula_full": "Li4 Zn2 Si2",
"formula_reduced": "Li2ZnSi",
"formula_anonymous": "ABC2",
"energy": -23.14434637,
"energy_per_atom": -2.89304329625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.28634637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.812000Z",
"spacegroup": 194
},
{
"id": "mp-962",
"created_at": "2022-09-04T14:47:36.667882Z",
"structure_string": "Sm2 Zn4\n1.0\n-2.279272 3.668062 3.793022\n2.279272 -3.668062 3.793022\n2.279272 3.668062 -3.793022\nSm Zn\n2 4\ndirect\n0.216384 0.466384 0.750000 Sm\n0.783616 0.533616 0.250000 Sm\n0.214831 0.165734 0.049096 Zn\n0.785169 0.834266 0.950904 Zn\n0.616638 0.165734 0.450904 Zn\n0.383362 0.834266 0.549096 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.361770162080549,
"density_atomic": 0.04730129971847495,
"volume": 126.84640878179758,
"volume_molar": 12.73144880974142,
"formula_full": "Sm2 Zn4",
"formula_reduced": "SmZn2",
"formula_anonymous": "AB2",
"energy": -16.73839825,
"energy_per_atom": -2.7897330416666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.73839825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.569000Z",
"spacegroup": 74
},
{
"id": "mp-7144",
"created_at": "2022-09-04T14:42:14.346903Z",
"structure_string": "Sm3 Al1 C1\n1.0\n5.024424 0.000000 0.000000\n0.000000 5.024424 0.000000\n0.000000 0.000000 5.024424\nSm Al C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Al",
"C"
],
"chemical_system": "Al-C-Sm",
"density": 6.415793167075604,
"density_atomic": 0.03941950442132995,
"volume": 126.84076254633209,
"volume_molar": 15.277058523194956,
"formula_full": "Sm3 Al1 C1",
"formula_reduced": "Sm3AlC",
"formula_anonymous": "ABC3",
"energy": -28.41271019,
"energy_per_atom": -5.682542037999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41271019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.992000Z",
"spacegroup": 221
},
{
"id": "mp-1087483",
"created_at": "2022-09-04T14:45:27.773774Z",
"structure_string": "Th2 Cu2 P2 O2\n1.0\n3.911472 0.000000 0.000000\n0.000000 3.911472 0.000000\n0.000000 0.000000 8.290324\nTh Cu P O\n2 2 2 2\ndirect\n0.000000 0.500000 0.332519 Th\n0.500000 0.000000 0.667481 Th\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.830152 P\n0.500000 0.000000 0.169848 P\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Th",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Th",
"density": 8.969335430543204,
"density_atomic": 0.0630722075449954,
"volume": 126.83875055891835,
"volume_molar": 9.548010121104186,
"formula_full": "Th2 Cu2 P2 O2",
"formula_reduced": "ThCuPO",
"formula_anonymous": "ABCD",
"energy": -61.12067506,
"energy_per_atom": -7.6400843825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.74667506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.082000Z",
"spacegroup": 129
},
{
"id": "mp-1205976",
"created_at": "2022-09-04T14:46:19.662676Z",
"structure_string": "Nd1 Ta2 O6\n1.0\n3.988661 0.000000 0.000000\n0.000000 3.988661 0.000000\n0.000000 0.000000 7.971854\nNd Ta O\n1 2 6\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.258089 Ta\n0.000000 0.000000 0.741911 Ta\n0.500000 0.000000 0.221383 O\n0.500000 0.000000 0.778617 O\n0.000000 0.500000 0.221383 O\n0.000000 0.500000 0.778617 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Ta",
"O"
],
"chemical_system": "Nd-O-Ta",
"density": 7.883676113035664,
"density_atomic": 0.07096250202416951,
"volume": 126.82754614450657,
"volume_molar": 8.486370390306822,
"formula_full": "Nd1 Ta2 O6",
"formula_reduced": "NdTa2O6",
"formula_anonymous": "AB2C6",
"energy": -89.1078486,
"energy_per_atom": -9.900872066666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.9858486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.718000Z",
"spacegroup": 123
},
{
"id": "mp-1178187",
"created_at": "2022-09-04T14:42:21.369916Z",
"structure_string": "Hf4 N4 O2\n1.0\n5.441027 -0.049141 0.044809\n-2.693417 1.635474 4.881460\n2.763071 -4.785780 0.000000\nHf N O\n4 4 2\ndirect\n0.122635 0.428661 0.134412 Hf\n0.349369 0.069757 0.371468 Hf\n0.622635 0.928661 0.671613 Hf\n0.849369 0.569757 0.848920 Hf\n0.245958 0.735250 0.947941 N\n0.745958 0.235250 0.041352 N\n0.461915 0.253209 0.745347 N\n0.961915 0.753209 0.545948 N\n0.070124 0.263122 0.441751 O\n0.570124 0.763122 0.251247 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.50065551022843,
"density_atomic": 0.07884982670102604,
"volume": 126.82336053720044,
"volume_molar": 7.637481288112502,
"formula_full": "Hf4 N4 O2",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy": -107.68272222,
"energy_per_atom": -10.768272222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.86472222,
"band_gap": 2.4934000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.774000Z",
"spacegroup": 9
},
{
"id": "mp-31498",
"created_at": "2022-09-04T14:45:58.784584Z",
"structure_string": "Ba2 Pt2\n1.0\n2.587536 -4.481743 0.000000\n2.587536 4.481743 0.000000\n0.000000 0.000000 5.467569\nBa Pt\n2 2\ndirect\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.250000 Ba\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 8.705562989047634,
"density_atomic": 0.03154295479584522,
"volume": 126.81120161028392,
"volume_molar": 19.09187265104671,
"formula_full": "Ba2 Pt2",
"formula_reduced": "BaPt",
"formula_anonymous": "AB",
"energy": -18.97606449,
"energy_per_atom": -4.7440161225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.97606449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.098000Z",
"spacegroup": 194
},
{
"id": "mp-1239122",
"created_at": "2022-09-04T14:41:27.251170Z",
"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n1.793693 6.540429 0.000000\n-1.793693 6.540429 0.000000\n0.000000 2.782777 5.404699\nZr Cr Cu S\n1 1 1 4\ndirect\n0.759113 0.759113 0.218861 Zr\n0.241585 0.241585 0.774388 Cr\n0.501275 0.501275 0.490470 Cu\n0.385179 0.385179 0.933772 S\n0.619045 0.619045 0.041730 S\n0.861026 0.861026 0.501737 S\n0.132777 0.132777 0.539042 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Zr",
"density": 4.3870429139867255,
"density_atomic": 0.05520039474573183,
"volume": 126.81068735547855,
"volume_molar": 10.909597273243486,
"formula_full": "Zr1 Cr1 Cu1 S4",
"formula_reduced": "ZrCrCuS4",
"formula_anonymous": "ABCD4",
"energy": -47.11424664,
"energy_per_atom": -6.730606662857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.10224664,
"band_gap": 0.1493999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.889000Z",
"spacegroup": 8
},
{
"id": "mp-1183067",
"created_at": "2022-09-04T14:42:58.865340Z",
"structure_string": "Ac2 Zn1 Hg1\n1.0\n0.000000 3.987525 3.987525\n3.987525 0.000000 3.987525\n3.987525 3.987525 0.000000\nAc Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Zn",
"Hg"
],
"chemical_system": "Ac-Hg-Zn",
"density": 9.428459465946883,
"density_atomic": 0.0315442160744714,
"volume": 126.80613113214068,
"volume_molar": 19.091109272719233,
"formula_full": "Ac2 Zn1 Hg1",
"formula_reduced": "Ac2ZnHg",
"formula_anonymous": "ABC2",
"energy": -11.17438134,
"energy_per_atom": -2.793595335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.17438134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1478432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.222000Z",
"spacegroup": 225
},
{
"id": "mp-22367",
"created_at": "2022-09-04T14:47:14.179548Z",
"structure_string": "Pd2 Pb2 O4\n1.0\n-2.390664 2.764377 4.796839\n2.390664 -2.764377 4.796839\n2.390664 2.764377 -4.796839\nPd Pb O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.750000 0.771836 0.021836 Pb\n0.250000 0.228164 0.978164 Pb\n0.650209 0.650209 0.500000 O\n0.849791 0.349791 0.000000 O\n0.150209 0.650209 0.000000 O\n0.349791 0.349791 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"O"
],
"chemical_system": "O-Pb-Pd",
"density": 9.052020002819765,
"density_atomic": 0.0630897840489633,
"volume": 126.80341390598653,
"volume_molar": 9.545350092379904,
"formula_full": "Pd2 Pb2 O4",
"formula_reduced": "PdPbO2",
"formula_anonymous": "ABC2",
"energy": -46.77372552,
"energy_per_atom": -5.84671569,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.02572552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.807000Z",
"spacegroup": 74
},
{
"id": "mp-6123",
"created_at": "2022-09-04T14:40:04.633452Z",
"structure_string": "Ba2 Pd1 O2 F2\n1.0\n-2.112058 2.112058 7.106441\n2.112058 -2.112058 7.106441\n2.112058 2.112058 -7.106441\nBa Pd O F\n2 1 2 2\ndirect\n0.635008 0.635008 0.000000 Ba\n0.364992 0.364992 0.000000 Ba\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.250000 0.750000 0.500000 F\n0.750000 0.250000 0.500000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Pd",
"O",
"F"
],
"chemical_system": "Ba-F-O-Pd",
"density": 5.907025362066918,
"density_atomic": 0.055204466001647086,
"volume": 126.80133523601418,
"volume_molar": 10.90879270496036,
"formula_full": "Ba2 Pd1 O2 F2",
"formula_reduced": "Ba2Pd(OF)2",
"formula_anonymous": "AB2C2D2",
"energy": -42.50169674,
"energy_per_atom": -6.071670962857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.20369674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2039041,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.860000Z",
"spacegroup": 139
},
{
"id": "mp-1384639",
"created_at": "2022-09-04T14:39:23.058718Z",
"structure_string": "Ca2 Ti1 W1 O6\n1.0\n2.776114 4.865390 0.000000\n-2.776114 4.865390 0.000000\n0.000000 3.319304 4.693452\nCa Ti W O\n2 1 1 6\ndirect\n0.747176 0.747176 0.783936 Ca\n0.246530 0.246530 0.279992 Ca\n0.498006 0.498006 0.484865 Ti\n0.998067 0.998067 0.982412 W\n0.742550 0.742550 0.231441 O\n0.252498 0.252498 0.699612 O\n0.742705 0.260059 0.226310 O\n0.260059 0.742705 0.226310 O\n0.746952 0.241071 0.716633 O\n0.241071 0.746952 0.716633 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"W",
"O"
],
"chemical_system": "Ca-O-Ti-W",
"density": 5.341733813215153,
"density_atomic": 0.07887196650794367,
"volume": 126.78776050287576,
"volume_molar": 7.635337403934862,
"formula_full": "Ca2 Ti1 W1 O6",
"formula_reduced": "Ca2TiWO6",
"formula_anonymous": "ABC2D6",
"energy": -84.36688231000002,
"energy_per_atom": -8.436688231000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.80688231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.946000Z",
"spacegroup": 8
}
]
}