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=10404",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10402",
"results": [
{
"id": "mp-1105092",
"created_at": "2022-09-04T14:41:20.329382Z",
"structure_string": "Eu6 P8\n1.0\n0.000000 7.028031 8.466805\n2.841995 0.000000 8.466805\n2.841995 7.028031 0.000000\nEu P\n6 8\ndirect\n0.507223 0.992777 0.992777 Eu\n0.257223 0.742777 0.742777 Eu\n0.915268 0.419234 0.087800 Eu\n0.577698 0.087800 0.419234 Eu\n0.162200 0.672302 0.334732 Eu\n0.830766 0.334732 0.672302 Eu\n0.993029 0.665592 0.830950 P\n0.510429 0.830950 0.665592 P\n0.419050 0.739571 0.256971 P\n0.584408 0.256971 0.739571 P\n0.922177 0.578902 0.409265 P\n0.089656 0.409265 0.578902 P\n0.840735 0.160344 0.327823 P\n0.671098 0.327823 0.160344 P\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Eu",
"P"
],
"chemical_system": "Eu-P",
"density": 5.692998523817127,
"density_atomic": 0.04139248541496006,
"volume": 338.22564312458815,
"volume_molar": 14.548874510984257,
"formula_full": "Eu6 P8",
"formula_reduced": "Eu3P4",
"formula_anonymous": "A3B4",
"energy": -119.51853719999998,
"energy_per_atom": -8.53703837142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.51853719999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.9978515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.557000Z",
"spacegroup": 43
},
{
"id": "mp-1105091",
"created_at": "2022-09-04T14:46:12.053119Z",
"structure_string": "Co4 Bi4 As4 O20\n1.0\n5.093668 0.051386 -1.724860\n0.072237 0.063482 -7.737999\n-1.192475 11.328443 0.863035\nCo Bi As O\n4 4 4 20\ndirect\n0.716980 0.951563 0.316043 Co\n0.283011 0.048439 0.683957 Co\n0.217630 0.451480 0.815941 Co\n0.782350 0.548518 0.184064 Co\n0.298982 0.602110 0.363988 Bi\n0.799068 0.101950 0.864047 Bi\n0.701010 0.397892 0.636010 Bi\n0.200941 0.898058 0.135955 Bi\n0.633326 0.711730 0.899069 As\n0.133110 0.211756 0.399060 As\n0.366683 0.288266 0.100930 As\n0.866886 0.788246 0.600936 As\n0.968582 0.663900 0.907315 O\n0.468501 0.163706 0.407461 O\n0.031428 0.336083 0.092685 O\n0.531496 0.836297 0.592529 O\n0.509852 0.574804 0.799024 O\n0.009916 0.074769 0.299001 O\n0.490147 0.425198 0.200977 O\n0.990079 0.925233 0.700999 O\n0.997274 0.272061 0.774445 O\n0.497285 0.772110 0.274389 O\n0.002729 0.727928 0.225553 O\n0.502710 0.227900 0.725618 O\n0.986519 0.438232 0.356399 O\n0.486619 0.938182 0.856334 O\n0.013459 0.561771 0.643604 O\n0.513398 0.061814 0.143670 O\n0.541770 0.689692 0.036368 O\n0.041410 0.189646 0.536304 O\n0.458252 0.310319 0.963635 O\n0.958597 0.810347 0.463692 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Co",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Co-O",
"density": 6.301133593382898,
"density_atomic": 0.07179455851989672,
"volume": 445.7162305849643,
"volume_molar": 8.388018373747727,
"formula_full": "Co4 Bi4 As4 O20",
"formula_reduced": "CoBiAsO5",
"formula_anonymous": "ABCD5",
"energy": -214.64358054,
"energy_per_atom": -6.707611891875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.35158054,
"band_gap": 2.0761000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:29.115000Z",
"spacegroup": 2
},
{
"id": "mp-1105084",
"created_at": "2022-09-04T14:43:57.247241Z",
"structure_string": "Rb2 U1 H4 Cl4 O4\n1.0\n7.120178 0.040034 -1.336140\n-3.704697 6.126447 -0.218934\n0.107338 0.042315 7.542560\nRb U H Cl O\n2 1 4 4 4\ndirect\n0.072360 0.245970 0.252657 Rb\n0.927640 0.754030 0.747343 Rb\n0.500000 0.000000 0.500000 U\n0.631992 0.771882 0.066155 H\n0.368008 0.228118 0.933845 H\n0.773784 0.682375 0.156576 H\n0.226216 0.317625 0.843424 H\n0.691213 0.228255 0.831495 Cl\n0.308787 0.771745 0.168505 Cl\n0.334956 0.623366 0.638513 Cl\n0.665044 0.376634 0.361487 Cl\n0.775152 0.785543 0.074701 O\n0.224848 0.214457 0.925299 O\n0.256612 0.008979 0.514369 O\n0.743388 0.991021 0.485631 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Rb",
"U",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Rb-U",
"density": 3.1016787154938372,
"density_atomic": 0.04527771970744602,
"volume": 331.28876844770116,
"volume_molar": 13.300450638660687,
"formula_full": "Rb2 U1 H4 Cl4 O4",
"formula_reduced": "Rb2UH4(ClO)4",
"formula_anonymous": "AB2C4D4E4",
"energy": -85.57285107999999,
"energy_per_atom": -5.704856738666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.36885108,
"band_gap": 2.2627,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.852000Z",
"spacegroup": 2
},
{
"id": "mp-1105083",
"created_at": "2022-09-04T14:42:19.134532Z",
"structure_string": "Th6 Pd8\n1.0\n4.444532 -6.920008 0.000000\n4.444532 6.920008 0.000000\n-6.329721 0.000000 5.251190\nTh Pd\n6 8\ndirect\n0.408454 0.029987 0.278597 Th\n0.029987 0.278597 0.408454 Th\n0.278597 0.408454 0.029987 Th\n0.591546 0.970013 0.721403 Th\n0.970013 0.721403 0.591546 Th\n0.721403 0.591546 0.970013 Th\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.225575 0.060339 0.560394 Pd\n0.060339 0.560394 0.225575 Pd\n0.560394 0.225575 0.060339 Pd\n0.774425 0.939661 0.439606 Pd\n0.939661 0.439606 0.774425 Pd\n0.439606 0.774425 0.939661 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Th",
"Pd"
],
"chemical_system": "Pd-Th",
"density": 11.533786651550937,
"density_atomic": 0.04334187285123589,
"volume": 323.0132682095391,
"volume_molar": 13.894509775039124,
"formula_full": "Th6 Pd8",
"formula_reduced": "Th3Pd4",
"formula_anonymous": "A3B4",
"energy": -97.45048242,
"energy_per_atom": -6.9607487442857146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.45048242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.095000Z",
"spacegroup": 148
},
{
"id": "mp-1105082",
"created_at": "2022-09-04T14:39:12.960298Z",
"structure_string": "Tb1 Cr6 Ge6\n1.0\n-2.557959 -4.430515 0.000000\n-2.558626 4.430900 0.000000\n0.000000 0.000000 -8.327228\nTb Cr Ge\n1 6 6\ndirect\n0.999980 0.000000 0.000000 Tb\n0.499988 0.000000 0.250503 Cr\n0.499989 0.500001 0.250450 Cr\n0.999988 0.499999 0.250450 Cr\n0.499988 0.000000 0.749497 Cr\n0.499989 0.500001 0.749550 Cr\n0.999988 0.499999 0.749550 Cr\n0.333244 0.666522 0.000000 Ge\n0.666722 0.333478 0.000000 Ge\n0.333257 0.666556 0.500000 Ge\n0.666701 0.333444 0.500000 Ge\n0.999984 0.000000 0.346126 Ge\n0.999984 0.000000 0.653874 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Cr",
"Ge"
],
"chemical_system": "Cr-Ge-Tb",
"density": 7.9758885917680535,
"density_atomic": 0.06886358455456425,
"volume": 188.77901991435567,
"volume_molar": 8.745029465069946,
"formula_full": "Tb1 Cr6 Ge6",
"formula_reduced": "Tb(CrGe)6",
"formula_anonymous": "AB6C6",
"energy": -92.77352634,
"energy_per_atom": -7.136425103076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.77352634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0287002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.680000Z",
"spacegroup": 191
},
{
"id": "mp-1105081",
"created_at": "2022-09-04T14:47:33.640063Z",
"structure_string": "Tm10 Ir4\n1.0\n0.000000 6.444629 0.000000\n0.000176 0.000000 7.165519\n7.646712 -3.222314 -0.934374\nTm Ir\n10 4\ndirect\n0.969763 0.919154 0.181458 Tm\n0.788304 0.580846 0.818542 Tm\n0.030237 0.080846 0.818542 Tm\n0.211696 0.419154 0.181458 Tm\n0.654048 0.818712 0.443104 Tm\n0.210944 0.681288 0.556896 Tm\n0.345952 0.181288 0.556896 Tm\n0.789056 0.318712 0.443104 Tm\n0.426681 0.750000 0.000000 Tm\n0.573319 0.250000 0.000000 Tm\n0.828110 0.573149 0.218259 Ir\n0.609851 0.926851 0.781741 Ir\n0.171891 0.426851 0.781741 Ir\n0.390149 0.073149 0.218259 Ir\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tm",
"Ir"
],
"chemical_system": "Ir-Tm",
"density": 11.559697942579769,
"density_atomic": 0.039646643485964396,
"volume": 353.11942623733694,
"volume_molar": 15.189534927797714,
"formula_full": "Tm10 Ir4",
"formula_reduced": "Tm5Ir2",
"formula_anonymous": "A2B5",
"energy": -90.1398172,
"energy_per_atom": -6.438558371428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.1398172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0365154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.550000Z",
"spacegroup": 15
},
{
"id": "mp-1105080",
"created_at": "2022-09-04T14:45:09.682764Z",
"structure_string": "B2 Pd12\n1.0\n-2.901972 -4.084124 0.000000\n-2.901972 4.084124 0.000000\n2.901972 0.000000 -8.600792\nB Pd\n2 12\ndirect\n0.375000 0.125000 0.250000 B\n0.625000 0.875000 0.750000 B\n0.034816 0.783886 0.080560 Pd\n0.203326 0.954257 0.419440 Pd\n0.716114 0.465184 0.419440 Pd\n0.545743 0.296674 0.080560 Pd\n0.965184 0.216114 0.919440 Pd\n0.796674 0.045743 0.580560 Pd\n0.283886 0.534816 0.580560 Pd\n0.454257 0.703326 0.919440 Pd\n0.120498 0.379502 0.250000 Pd\n0.629502 0.870498 0.250000 Pd\n0.879502 0.620498 0.750000 Pd\n0.370498 0.129502 0.750000 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"B",
"Pd"
],
"chemical_system": "B-Pd",
"density": 10.577539421184838,
"density_atomic": 0.06867006490924664,
"volume": 203.8734056608538,
"volume_molar": 8.769673900787446,
"formula_full": "B2 Pd12",
"formula_reduced": "BPd6",
"formula_anonymous": "AB6",
"energy": -78.22815631,
"energy_per_atom": -5.587725450714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.22815631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.671000Z",
"spacegroup": 70
},
{
"id": "mp-1105078",
"created_at": "2022-09-04T14:48:06.662436Z",
"structure_string": "Hf6 In8\n1.0\n10.348948 0.000000 0.000000\n0.000000 10.348948 0.000000\n0.000000 0.000000 3.116452\nHf In\n6 8\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.682515 0.182515 0.500000 Hf\n0.317485 0.817485 0.500000 Hf\n0.182515 0.317485 0.500000 Hf\n0.817485 0.682515 0.500000 Hf\n0.555915 0.708266 0.000000 In\n0.444085 0.291734 0.000000 In\n0.055915 0.791734 0.000000 In\n0.944085 0.208266 0.000000 In\n0.291734 0.555915 0.000000 In\n0.708266 0.444085 0.000000 In\n0.208266 0.055915 0.000000 In\n0.791734 0.944085 0.000000 In\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Hf",
"In"
],
"chemical_system": "Hf-In",
"density": 9.897754931814532,
"density_atomic": 0.04194451566293454,
"volume": 333.77426771365714,
"volume_molar": 14.357397301696905,
"formula_full": "Hf6 In8",
"formula_reduced": "Hf3In4",
"formula_anonymous": "A3B4",
"energy": -82.18271496,
"energy_per_atom": -5.870193925714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.18271496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.608000Z",
"spacegroup": 127
},
{
"id": "mp-1105077",
"created_at": "2022-09-04T14:40:31.888460Z",
"structure_string": "Zr1 Al8 Fe4\n1.0\n0.000000 0.000000 4.986739\n-4.278327 4.278327 2.493369\n-4.278327 -4.278327 2.493369\nZr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.336736 0.663264 Al\n0.000000 0.663264 0.336736 Al\n0.663264 0.336736 0.336736 Al\n0.336736 0.663264 0.663264 Al\n0.500000 0.781935 0.218065 Al\n0.500000 0.218065 0.781935 Al\n0.718065 0.781935 0.781935 Al\n0.281935 0.218065 0.218065 Al\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Zr",
"density": 4.825075702796622,
"density_atomic": 0.0712112759604536,
"volume": 182.55535832863615,
"volume_molar": 8.456723571902195,
"formula_full": "Zr1 Al8 Fe4",
"formula_reduced": "Zr(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy": -77.98585548,
"energy_per_atom": -5.99891196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.98585548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4376471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.676000Z",
"spacegroup": 139
},
{
"id": "mp-1105076",
"created_at": "2022-09-04T14:45:28.111967Z",
"structure_string": "Ce3 Al12\n1.0\n-2.147228 5.682141 6.348967\n2.147228 -5.682141 6.348967\n2.147228 5.682141 -6.348967\nCe Al\n3 12\ndirect\n0.994837 0.000000 0.994837 Ce\n0.334551 0.333110 0.001441 Ce\n0.668331 0.666890 0.001441 Ce\n0.393401 0.000000 0.393401 Al\n0.614409 0.000000 0.614409 Al\n0.749934 0.500000 0.249934 Al\n0.255744 0.500000 0.755744 Al\n0.082357 0.837249 0.245108 Al\n0.407858 0.162751 0.245108 Al\n0.056057 0.670037 0.386020 Al\n0.715983 0.329963 0.386020 Al\n0.270371 0.662900 0.607471 Al\n0.944571 0.337100 0.607471 Al\n0.578933 0.829136 0.749797 Al\n0.920662 0.170864 0.749797 Al\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ce",
"Al"
],
"chemical_system": "Al-Ce",
"density": 3.9878849254147575,
"density_atomic": 0.04841032852242685,
"volume": 309.85123335924095,
"volume_molar": 12.439784946326377,
"formula_full": "Ce3 Al12",
"formula_reduced": "CeAl4",
"formula_anonymous": "AB4",
"energy": -67.13464142,
"energy_per_atom": -4.475642761333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.13464142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2803899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.661000Z",
"spacegroup": 44
},
{
"id": "mp-1105074",
"created_at": "2022-09-04T14:44:01.040887Z",
"structure_string": "V1 Mo6 Se8\n1.0\n4.693538 -4.759681 0.000000\n4.693538 4.759681 0.000000\n-0.133217 0.000000 6.683271\nV Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 V\n0.226864 0.549988 0.423516 Mo\n0.773136 0.450012 0.576484 Mo\n0.423516 0.226864 0.549988 Mo\n0.576484 0.773136 0.450012 Mo\n0.549988 0.423516 0.226864 Mo\n0.450012 0.576484 0.773136 Mo\n0.122109 0.359902 0.758614 Se\n0.877891 0.640098 0.241386 Se\n0.224494 0.224494 0.224494 Se\n0.775506 0.775506 0.775506 Se\n0.359902 0.758614 0.122109 Se\n0.640098 0.241386 0.877891 Se\n0.758614 0.122109 0.359902 Se\n0.241386 0.877891 0.640098 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"V",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-V",
"density": 6.997175283502832,
"density_atomic": 0.050233565710556524,
"volume": 298.605121651712,
"volume_molar": 11.98828049495689,
"formula_full": "V1 Mo6 Se8",
"formula_reduced": "V(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -112.44141306,
"energy_per_atom": -7.496094204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.66541306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.759504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.584000Z",
"spacegroup": 148
},
{
"id": "mp-1105072",
"created_at": "2022-09-04T14:40:58.734104Z",
"structure_string": "Eu2 Ga4 S8\n1.0\n3.037611 -5.191459 0.000000\n3.037611 5.191459 0.000000\n0.000000 0.000000 10.481029\nEu Ga S\n2 4 8\ndirect\n0.500000 0.500000 0.750000 Eu\n0.500000 0.500000 0.250000 Eu\n0.760221 0.238353 0.500000 Ga\n0.239779 0.761647 0.500000 Ga\n0.761647 0.239779 0.000000 Ga\n0.238353 0.760221 0.000000 Ga\n0.350164 0.184845 0.500000 S\n0.649836 0.815155 0.500000 S\n0.815155 0.649836 0.000000 S\n0.184845 0.350164 0.000000 S\n0.500000 0.000000 0.834650 S\n0.000000 0.500000 0.665350 S\n0.500000 0.000000 0.165350 S\n0.000000 0.500000 0.334650 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Eu",
"Ga",
"S"
],
"chemical_system": "Eu-Ga-S",
"density": 4.216300097023566,
"density_atomic": 0.04235186426386577,
"volume": 330.56396083949187,
"volume_molar": 14.219305016846768,
"formula_full": "Eu2 Ga4 S8",
"formula_reduced": "Eu(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -85.58462526,
"energy_per_atom": -6.113187518571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.56062526,
"band_gap": 0.399,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0005221,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.176000Z",
"spacegroup": 66
}
]
}