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=1717",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=1715",
"results": [
{
"id": "mp-1103472",
"created_at": "2022-09-04T14:40:25.125495Z",
"structure_string": "Na2 U1 F8\n1.0\n-2.771708 2.771708 5.328814\n2.771708 -2.771708 5.328814\n2.771708 2.771708 -5.328814\nNa U F\n2 1 8\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 U\n0.104420 0.104420 0.442843 F\n0.661576 0.661576 0.557157 F\n0.104420 0.661576 0.000000 F\n0.661576 0.104420 0.000000 F\n0.895580 0.895580 0.557157 F\n0.338424 0.338424 0.442843 F\n0.895580 0.338424 0.000000 F\n0.338424 0.895580 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Na",
"U",
"F"
],
"chemical_system": "F-Na-U",
"density": 4.421257139726677,
"density_atomic": 0.06717492365330499,
"volume": 163.7515817177829,
"volume_molar": 8.964864316155738,
"formula_full": "Na2 U1 F8",
"formula_reduced": "Na2UF8",
"formula_anonymous": "AB2C8",
"energy": -67.14298118,
"energy_per_atom": -6.103907380000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.44698118000001,
"band_gap": 2.5956,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009546,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.948000Z",
"spacegroup": 139
},
{
"id": "mp-1103473",
"created_at": "2022-09-04T14:41:50.749667Z",
"structure_string": "Cs1 Cr1 P2 S7\n1.0\n4.889590 4.345464 0.000000\n-4.889590 4.345464 0.000000\n0.000000 0.888058 7.006823\nCs Cr P S\n1 1 2 7\ndirect\n0.103493 0.896507 0.000000 Cs\n0.512797 0.487203 0.500000 Cr\n0.658732 0.940124 0.573229 P\n0.059876 0.341268 0.426771 P\n0.641964 0.678150 0.755525 S\n0.321850 0.358036 0.244475 S\n0.524671 0.835010 0.343760 S\n0.164990 0.475329 0.656240 S\n0.547391 0.173879 0.705132 S\n0.826121 0.452609 0.294868 S\n0.988466 0.011534 0.500000 S\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Cs",
"Cr",
"P",
"S"
],
"chemical_system": "Cr-Cs-P-S",
"density": 2.6283945004216167,
"density_atomic": 0.03694306651719911,
"volume": 297.7554663709054,
"volume_molar": 16.301139368591265,
"formula_full": "Cs1 Cr1 P2 S7",
"formula_reduced": "CsCrP2S7",
"formula_anonymous": "ABC2D7",
"energy": -60.15513660999999,
"energy_per_atom": -5.468648782727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.63413661,
"band_gap": 1.0727000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0007074,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.860000Z",
"spacegroup": 5
},
{
"id": "mp-1103475",
"created_at": "2022-09-04T14:47:59.174933Z",
"structure_string": "Te4 O8\n1.0\n4.008324 0.000000 0.000000\n0.000000 5.474406 0.000000\n0.000000 0.240644 7.807305\nTe O\n4 8\ndirect\n0.250000 0.713410 0.858508 Te\n0.750000 0.286590 0.141492 Te\n0.750000 0.190964 0.612070 Te\n0.250000 0.809036 0.387930 Te\n0.250000 0.370606 0.906861 O\n0.750000 0.629394 0.093139 O\n0.750000 0.894088 0.785205 O\n0.250000 0.105912 0.214795 O\n0.250000 0.610370 0.620076 O\n0.750000 0.389630 0.379924 O\n0.250000 0.084820 0.563299 O\n0.750000 0.915180 0.436701 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 6.187821007164548,
"density_atomic": 0.0700455061987449,
"volume": 171.31720007778344,
"volume_molar": 8.597469112312456,
"formula_full": "Te4 O8",
"formula_reduced": "TeO2",
"formula_anonymous": "AB2",
"energy": -68.12206373,
"energy_per_atom": -5.676838644166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.62606373,
"band_gap": 2.2841,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.904000Z",
"spacegroup": 11
},
{
"id": "mp-1103476",
"created_at": "2022-09-04T14:45:32.993668Z",
"structure_string": "Dy1 B12\n1.0\n0.000000 3.749020 3.749020\n3.749020 0.000000 3.749020\n3.749020 3.749020 0.000000\nDy B\n1 12\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.837717 B\n0.162283 0.500000 0.837717 B\n0.500000 0.162283 0.837717 B\n0.162283 0.837717 0.500000 B\n0.500000 0.837717 0.500000 B\n0.500000 0.837717 0.162283 B\n0.837717 0.162283 0.500000 B\n0.837717 0.500000 0.162283 B\n0.837717 0.500000 0.500000 B\n0.500000 0.500000 0.162283 B\n0.500000 0.162283 0.500000 B\n0.162283 0.500000 0.500000 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Dy",
"B"
],
"chemical_system": "B-Dy",
"density": 4.6046179305553805,
"density_atomic": 0.12335594504855506,
"volume": 105.3860841071176,
"volume_molar": 4.881921789525086,
"formula_full": "Dy1 B12",
"formula_reduced": "DyB12",
"formula_anonymous": "AB12",
"energy": -88.01053757,
"energy_per_atom": -6.770041351538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.01053757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.859000Z",
"spacegroup": 225
},
{
"id": "mp-1103481",
"created_at": "2022-09-04T14:43:18.597216Z",
"structure_string": "Er3 Fe4 Ge4\n1.0\n-2.089794 3.356418 6.748242\n2.089794 -3.356418 6.748242\n2.089794 3.356418 -6.748242\nEr Fe Ge\n3 4 4\ndirect\n0.500000 0.000000 0.500000 Er\n0.871153 0.871153 0.000000 Er\n0.128847 0.128847 0.000000 Er\n0.855374 0.674525 0.180849 Fe\n0.493676 0.674525 0.819151 Fe\n0.506324 0.325475 0.180849 Fe\n0.144626 0.325475 0.819151 Fe\n0.279232 0.779232 0.500000 Ge\n0.720768 0.220768 0.500000 Ge\n0.195729 0.500000 0.695729 Ge\n0.804271 0.500000 0.304271 Ge\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Ge"
],
"chemical_system": "Er-Fe-Ge",
"density": 8.908234881682269,
"density_atomic": 0.05809817974798973,
"volume": 189.33467533258843,
"volume_molar": 10.365455141834067,
"formula_full": "Er3 Fe4 Ge4",
"formula_reduced": "Er3(FeGe)4",
"formula_anonymous": "A3B4C4",
"energy": -71.46823668,
"energy_per_atom": -6.497112425454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.46823668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9096578,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.831000Z",
"spacegroup": 71
},
{
"id": "mp-1103484",
"created_at": "2022-09-04T14:43:55.087858Z",
"structure_string": "Cu3 Br4 N4\n1.0\n-4.919348 4.919348 2.722948\n4.919348 -4.919348 2.722948\n4.919348 4.919348 -2.722948\nCu Br N\n3 4 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.200999 0.700999 Br\n0.500000 0.799001 0.299001 Br\n0.799001 0.500000 0.299001 Br\n0.200999 0.500000 0.700999 Br\n0.132064 0.132064 0.264128 N\n0.867936 0.867936 0.735872 N\n0.867936 0.132064 0.000000 N\n0.132064 0.867936 0.000000 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Cu",
"Br",
"N"
],
"chemical_system": "Br-Cu-N",
"density": 3.567520711586689,
"density_atomic": 0.04173287013526918,
"volume": 263.58120024684587,
"volume_molar": 14.43020990523866,
"formula_full": "Cu3 Br4 N4",
"formula_reduced": "Cu3(BrN)4",
"formula_anonymous": "A3B4C4",
"energy": -38.93879846,
"energy_per_atom": -3.5398907690909094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.35879846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0131508,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.112000Z",
"spacegroup": 139
},
{
"id": "mp-1103487",
"created_at": "2022-09-04T14:43:13.832172Z",
"structure_string": "Ce4 Ga4 Pt4\n1.0\n4.429201 0.000000 0.000000\n0.000000 7.086500 0.000000\n0.000000 0.000000 7.881680\nCe Ga Pt\n4 4 4\ndirect\n0.250000 0.983958 0.299811 Ce\n0.250000 0.483958 0.200189 Ce\n0.750000 0.016042 0.700189 Ce\n0.750000 0.516042 0.799811 Ce\n0.250000 0.328507 0.576761 Ga\n0.250000 0.828507 0.923239 Ga\n0.750000 0.671493 0.423239 Ga\n0.750000 0.171493 0.076761 Ga\n0.250000 0.223424 0.904042 Pt\n0.250000 0.723424 0.595958 Pt\n0.750000 0.776576 0.095958 Pt\n0.750000 0.276576 0.404042 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Pt"
],
"chemical_system": "Ce-Ga-Pt",
"density": 10.87190266402848,
"density_atomic": 0.048507095073204734,
"volume": 247.38649020086933,
"volume_molar": 12.414968884266631,
"formula_full": "Ce4 Ga4 Pt4",
"formula_reduced": "CeGaPt",
"formula_anonymous": "ABC",
"energy": -72.26114446,
"energy_per_atom": -6.021762038333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.26114446,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0590813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.852000Z",
"spacegroup": 62
},
{
"id": "mp-1103493",
"created_at": "2022-09-04T14:39:32.760874Z",
"structure_string": "Tm1 Mo6 S8\n1.0\n4.600371 -4.571436 0.000000\n4.600371 4.571436 0.000000\n0.057689 0.000000 6.485223\nTm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.559355 0.419811 0.222346 Mo\n0.419811 0.222346 0.559355 Mo\n0.222346 0.559355 0.419811 Mo\n0.440645 0.580189 0.777654 Mo\n0.580189 0.777654 0.440645 Mo\n0.777654 0.440645 0.580189 Mo\n0.236003 0.236003 0.236003 S\n0.763997 0.763997 0.763997 S\n0.128144 0.366252 0.753090 S\n0.366252 0.753090 0.128144 S\n0.753090 0.128144 0.366252 S\n0.871856 0.633748 0.246910 S\n0.633748 0.246910 0.871856 S\n0.246910 0.871856 0.633748 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Tm",
"Mo",
"S"
],
"chemical_system": "Mo-S-Tm",
"density": 6.09429728982359,
"density_atomic": 0.054990902592405105,
"volume": 272.7723913022602,
"volume_molar": 10.951158239093404,
"formula_full": "Tm1 Mo6 S8",
"formula_reduced": "Tm(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy": -119.91911757,
"energy_per_atom": -7.994607837999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.89511757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166272,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.850000Z",
"spacegroup": 148
},
{
"id": "mp-1103498",
"created_at": "2022-09-04T14:45:34.942049Z",
"structure_string": "Pr4 Ga4 Co4\n1.0\n4.368779 0.000000 0.000000\n0.000000 7.110316 0.000000\n0.000000 0.000000 7.516850\nPr Ga Co\n4 4 4\ndirect\n0.250000 0.020935 0.811197 Pr\n0.250000 0.520935 0.688803 Pr\n0.750000 0.979065 0.188803 Pr\n0.750000 0.479065 0.311197 Pr\n0.250000 0.165631 0.422211 Ga\n0.250000 0.665631 0.077789 Ga\n0.750000 0.834369 0.577789 Ga\n0.750000 0.334369 0.922211 Ga\n0.250000 0.803612 0.396566 Co\n0.250000 0.303612 0.103434 Co\n0.750000 0.196388 0.603434 Co\n0.750000 0.696388 0.896566 Co\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Pr",
"density": 7.6680664736821065,
"density_atomic": 0.05139210231718056,
"volume": 233.49891245815718,
"volume_molar": 11.718027651082833,
"formula_full": "Pr4 Ga4 Co4",
"formula_reduced": "PrGaCo",
"formula_anonymous": "ABC",
"energy": -63.97761702,
"energy_per_atom": -5.331468085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.97761702,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.476000Z",
"spacegroup": 62
},
{
"id": "mp-1103502",
"created_at": "2022-09-04T14:42:56.989699Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n2.236262 4.529960 0.000000\n-2.236262 4.529960 0.000000\n0.000000 0.380088 6.342298\nCa B H N\n1 2 10 2\ndirect\n0.435882 0.564118 0.000000 Ca\n0.801425 0.864408 0.210127 B\n0.135592 0.198575 0.789873 B\n0.575499 0.700875 0.417728 H\n0.299125 0.424501 0.582272 H\n0.609593 0.080092 0.687968 H\n0.919908 0.390407 0.312032 H\n0.048805 0.805806 0.295152 H\n0.194194 0.951195 0.704848 H\n0.849056 0.433588 0.744194 H\n0.566412 0.150944 0.255806 H\n0.849691 0.861147 0.015205 H\n0.138853 0.150309 0.984795 H\n0.713479 0.627645 0.279554 N\n0.372355 0.286521 0.720446 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"N"
],
"chemical_system": "B-Ca-H-N",
"density": 1.2895987838218737,
"density_atomic": 0.11673405400165063,
"volume": 128.49720784808775,
"volume_molar": 5.158855152854408,
"formula_full": "Ca1 B2 H10 N2",
"formula_reduced": "CaB2(H5N)2",
"formula_anonymous": "AB2C2D10",
"energy": -73.11156154,
"energy_per_atom": -4.874104102666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.38956154,
"band_gap": 3.7871,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.997000Z",
"spacegroup": 5
},
{
"id": "mp-1103503",
"created_at": "2022-09-04T14:47:32.365584Z",
"structure_string": "Gd4 Sn4 Pd4\n1.0\n4.635204 0.000000 0.000000\n0.000000 7.299712 0.000000\n0.000000 0.000000 8.066042\nGd Sn Pd\n4 4 4\ndirect\n0.250000 0.010187 0.299400 Gd\n0.250000 0.510187 0.200600 Gd\n0.750000 0.989813 0.700600 Gd\n0.750000 0.489813 0.799400 Gd\n0.250000 0.183995 0.917531 Sn\n0.250000 0.683995 0.582469 Sn\n0.750000 0.816005 0.082469 Sn\n0.750000 0.316005 0.417531 Sn\n0.250000 0.287025 0.591589 Pd\n0.250000 0.787025 0.908411 Pd\n0.750000 0.712975 0.408411 Pd\n0.750000 0.212975 0.091589 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Sn",
"Pd"
],
"chemical_system": "Gd-Pd-Sn",
"density": 9.306131820651183,
"density_atomic": 0.04396895949666068,
"volume": 272.91980836870533,
"volume_molar": 13.696345851571413,
"formula_full": "Gd4 Sn4 Pd4",
"formula_reduced": "GdSnPd",
"formula_anonymous": "ABC",
"energy": -104.09495595,
"energy_per_atom": -8.6745796625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.09495595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.4355377,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.101000Z",
"spacegroup": 62
},
{
"id": "mp-1103507",
"created_at": "2022-09-04T14:45:13.991140Z",
"structure_string": "Ho2 Ni8 As4\n1.0\n7.226600 0.000000 0.000000\n0.000000 7.226600 0.000000\n0.000000 0.000000 3.779298\nHo Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.500000 Ho\n0.589167 0.153788 0.500000 Ni\n0.410833 0.846212 0.500000 Ni\n0.089167 0.346212 0.000000 Ni\n0.910833 0.653788 0.000000 Ni\n0.153788 0.589167 0.500000 Ni\n0.846212 0.410833 0.500000 Ni\n0.346212 0.089167 0.000000 Ni\n0.653788 0.910833 0.000000 Ni\n0.717130 0.717130 0.500000 As\n0.282870 0.282870 0.500000 As\n0.217130 0.782870 0.000000 As\n0.782870 0.217130 0.000000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"As"
],
"chemical_system": "As-Ho-Ni",
"density": 9.24708518140952,
"density_atomic": 0.07093308763219762,
"volume": 197.3691047060129,
"volume_molar": 8.4898895015342,
"formula_full": "Ho2 Ni8 As4",
"formula_reduced": "Ho(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy": -82.84825748,
"energy_per_atom": -5.917732677142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.84825748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006199,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.635000Z",
"spacegroup": 136
}
]
}