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=formation_energy&page=10178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10176",
"results": [
{
"id": "mp-1206898",
"created_at": "2022-09-04T14:45:02.208820Z",
"structure_string": "Y4 In2 Ge4\n1.0\n0.000000 0.000000 4.164073\n7.434116 0.000000 0.000000\n0.000000 7.434116 0.000000\nY In Ge\n4 2 4\ndirect\n0.500000 0.179140 0.679140 Y\n0.500000 0.820860 0.320860 Y\n0.500000 0.320860 0.179140 Y\n0.500000 0.679140 0.820860 Y\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.621130 0.121130 Ge\n0.000000 0.378870 0.878870 Ge\n0.000000 0.878870 0.621130 Ge\n0.000000 0.121130 0.378870 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"In",
"Ge"
],
"chemical_system": "Ge-In-Y",
"density": 6.3195573147866275,
"density_atomic": 0.04345332348619416,
"volume": 230.131994464754,
"volume_molar": 13.858872640462895,
"formula_full": "Y4 In2 Ge4",
"formula_reduced": "Y2InGe2",
"formula_anonymous": "AB2C2",
"energy": -57.04697576,
"energy_per_atom": -5.704697576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.04697576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.588000Z",
"spacegroup": 127
},
{
"id": "mp-777395",
"created_at": "2022-09-04T14:45:02.271404Z",
"structure_string": "Li4 Mn1 V3 P8 O28\n1.0\n4.854795 -8.286774 0.044592\n4.897866 8.312494 -0.041018\n-2.272992 -0.040697 6.682003\nLi Mn V P O\n4 1 3 8 28\ndirect\n0.158930 0.019605 0.675045 Li\n0.730634 0.090238 0.326800 Li\n0.232850 0.592752 0.328026 Li\n0.655680 0.516610 0.671417 Li\n0.393193 0.391757 0.267114 Mn\n0.856641 0.356119 0.726989 V\n0.357944 0.857165 0.727701 V\n0.893455 0.893052 0.272471 V\n0.111388 0.290581 0.522309 P\n0.751255 0.035396 0.914439 P\n0.249284 0.537687 0.912216 P\n0.460178 0.141392 0.482147 P\n0.610811 0.788998 0.522272 P\n0.714798 0.499048 0.087381 P\n0.216776 0.000176 0.088689 P\n0.959644 0.640628 0.477539 P\n0.075114 0.113085 0.483551 O\n0.358312 0.033657 0.604462 O\n0.583100 0.015918 0.916280 O\n0.080225 0.517637 0.909664 O\n0.220958 0.375634 0.753104 O\n0.376862 0.032370 0.249226 O\n0.234457 0.167205 0.085643 O\n0.212466 0.388325 0.391529 O\n0.455367 0.298204 0.504777 O\n0.136852 0.676005 0.515105 O\n0.636808 0.174111 0.517824 O\n0.861745 0.187349 0.852470 O\n0.359544 0.685830 0.843733 O\n0.219606 0.914591 0.888031 O\n0.721412 0.417684 0.887265 O\n0.331963 0.538663 0.113835 O\n0.833753 0.030748 0.113538 O\n0.063994 0.888967 0.150273 O\n0.559145 0.383219 0.142871 O\n0.575443 0.611466 0.479686 O\n0.453670 0.795123 0.507242 O\n0.952738 0.294659 0.506317 O\n0.859034 0.536887 0.603734 O\n0.722524 0.874448 0.752129 O\n0.874516 0.528277 0.247096 O\n0.732502 0.666120 0.088519 O\n0.714294 0.890152 0.396044 O\n0.954560 0.798051 0.493496 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.858975018041306,
"density_atomic": 0.08134379137431841,
"volume": 540.9140544915826,
"volume_molar": 7.403319489115047,
"formula_full": "Li4 Mn1 V3 P8 O28",
"formula_reduced": "Li4MnV3(P2O7)4",
"formula_anonymous": "AB3C4D8E28",
"energy": -344.36967955,
"energy_per_atom": -7.8265836261363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.36567955,
"band_gap": 0.4958,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.199000Z",
"spacegroup": 1
},
{
"id": "mp-1094270",
"created_at": "2022-09-04T14:45:02.891531Z",
"structure_string": "Sr3 Mg1\n1.0\n0.000000 4.445928 4.445928\n4.445928 0.000000 4.445928\n4.445928 4.445928 0.000000\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.7130845778641652,
"density_atomic": 0.022758452077836017,
"volume": 175.75887790257568,
"volume_molar": 26.461117563724105,
"formula_full": "Sr3 Mg1",
"formula_reduced": "Sr3Mg",
"formula_anonymous": "AB3",
"energy": -6.37802363,
"energy_per_atom": -1.5945059075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.37802363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.696000Z",
"spacegroup": 225
},
{
"id": "mp-21102",
"created_at": "2022-09-04T14:45:02.901746Z",
"structure_string": "Yb8 Al4 B24\n1.0\n3.579514 0.000000 0.000000\n0.000000 9.346434 0.000000\n0.000000 0.000000 11.525102\nYb Al B\n8 4 24\ndirect\n0.000000 0.048684 0.614454 Yb\n0.000000 0.951316 0.385546 Yb\n0.000000 0.548684 0.885546 Yb\n0.000000 0.451316 0.114454 Yb\n0.000000 0.665427 0.591454 Yb\n0.000000 0.334573 0.408546 Yb\n0.000000 0.165427 0.908546 Yb\n0.000000 0.834573 0.091454 Yb\n0.000000 0.356936 0.679202 Al\n0.000000 0.643064 0.320798 Al\n0.000000 0.856936 0.820798 Al\n0.000000 0.143064 0.179202 Al\n0.500000 0.362799 0.962164 B\n0.500000 0.637201 0.037836 B\n0.500000 0.862799 0.537836 B\n0.500000 0.137201 0.462164 B\n0.500000 0.014746 0.782638 B\n0.500000 0.985254 0.217362 B\n0.500000 0.514746 0.717362 B\n0.500000 0.485254 0.282638 B\n0.500000 0.359090 0.814697 B\n0.500000 0.640910 0.185303 B\n0.500000 0.859090 0.685303 B\n0.500000 0.140910 0.314697 B\n0.500000 0.051342 0.066355 B\n0.500000 0.948658 0.933645 B\n0.500000 0.551342 0.433645 B\n0.500000 0.448658 0.566355 B\n0.500000 0.247235 0.076455 B\n0.500000 0.752765 0.923545 B\n0.500000 0.747235 0.423545 B\n0.500000 0.252765 0.576455 B\n0.500000 0.301161 0.230701 B\n0.500000 0.698839 0.769299 B\n0.500000 0.801161 0.269299 B\n0.500000 0.198839 0.730701 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Yb",
"Al",
"B"
],
"chemical_system": "Al-B-Yb",
"density": 7.543911039457835,
"density_atomic": 0.09336577665182147,
"volume": 385.5802553247189,
"volume_molar": 6.450051588450547,
"formula_full": "Yb8 Al4 B24",
"formula_reduced": "Yb2AlB6",
"formula_anonymous": "AB2C6",
"energy": -198.75640072,
"energy_per_atom": -5.521011131111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.75640072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.756000Z",
"spacegroup": 55
},
{
"id": "mp-1112572",
"created_at": "2022-09-04T14:45:03.002691Z",
"structure_string": "Cs2 Li1 Pd1 F6\n1.0\n0.000000 4.370866 4.370866\n4.370866 0.000000 4.370866\n4.370866 4.370866 0.000000\nCs Li Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pd\n0.760581 0.239419 0.239419 F\n0.239419 0.239419 0.760581 F\n0.239419 0.760581 0.760581 F\n0.239419 0.760581 0.239419 F\n0.760581 0.239419 0.760581 F\n0.760581 0.760581 0.239419 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Pd",
"F"
],
"chemical_system": "Cs-F-Li-Pd",
"density": 4.903503781349802,
"density_atomic": 0.0598780332995665,
"volume": 167.0061531575453,
"volume_molar": 10.057345621008562,
"formula_full": "Cs2 Li1 Pd1 F6",
"formula_reduced": "Cs2LiPdF6",
"formula_anonymous": "ABC2D6",
"energy": -45.0403536,
"energy_per_atom": -4.5040353600000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.2683536,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.000588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.647000Z",
"spacegroup": 225
},
{
"id": "mp-1183886",
"created_at": "2022-09-04T14:45:03.150037Z",
"structure_string": "Eu2 Mg1 Cd1\n1.0\n0.000000 3.963230 3.963230\n3.963230 0.000000 3.963230\n3.963230 3.963230 0.000000\nEu Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"Cd"
],
"chemical_system": "Cd-Eu-Mg",
"density": 5.877046578269455,
"density_atomic": 0.03212788714667249,
"volume": 124.50242936110051,
"volume_molar": 18.744278864362606,
"formula_full": "Eu2 Mg1 Cd1",
"formula_reduced": "Eu2MgCd",
"formula_anonymous": "ABC2",
"energy": -23.89095126,
"energy_per_atom": -5.972737815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.89095126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.3210786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.083000Z",
"spacegroup": 225
},
{
"id": "mp-1187469",
"created_at": "2022-09-04T14:45:03.205797Z",
"structure_string": "Ti1 Cu1 O3\n1.0\n3.850773 0.000000 0.000000\n0.000000 3.850773 0.000000\n0.000000 0.000000 3.850773\nTi Cu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti",
"density": 4.635794483096115,
"density_atomic": 0.08756413263711679,
"volume": 57.101005279421834,
"volume_molar": 6.877405826603628,
"formula_full": "Ti1 Cu1 O3",
"formula_reduced": "TiCuO3",
"formula_anonymous": "ABC3",
"energy": -36.51925424,
"energy_per_atom": -7.303850848000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.45825424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9993563,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.646000Z",
"spacegroup": 221
},
{
"id": "mp-1233548",
"created_at": "2022-09-04T14:45:03.210347Z",
"structure_string": "Ca1 Nb2 Te4 Cl10 O1\n1.0\n7.108674 0.472433 -0.113647\n2.918925 8.420328 0.923865\n-0.969496 -0.510023 9.969769\nCa Nb Te Cl O\n1 2 4 10 1\ndirect\n0.885722 0.878807 0.348920 Ca\n0.533416 0.629677 0.647804 Nb\n0.485864 0.355341 0.372639 Nb\n0.235298 0.889712 0.143886 Te\n0.072970 0.180954 0.989199 Te\n0.939823 0.795290 0.001107 Te\n0.786884 0.085773 0.848280 Te\n0.517435 0.121550 0.210788 Cl\n0.427136 0.494775 0.804415 Cl\n0.833979 0.173589 0.457764 Cl\n0.117451 0.558053 0.277108 Cl\n0.586457 0.472445 0.195756 Cl\n0.322049 0.234773 0.500149 Cl\n0.887213 0.476351 0.720459 Cl\n0.623138 0.788104 0.471773 Cl\n0.169176 0.812521 0.576682 Cl\n0.538702 0.840725 0.800333 Cl\n0.509510 0.497276 0.504367 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ca",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Nb-O-Te",
"density": 3.140754227643523,
"density_atomic": 0.030759572814744552,
"volume": 585.1836795136417,
"volume_molar": 19.578102713810438,
"formula_full": "Ca1 Nb2 Te4 Cl10 O1",
"formula_reduced": "CaNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -85.98520452,
"energy_per_atom": -4.776955806666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.15820452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.153254,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.677000Z",
"spacegroup": 1
},
{
"id": "mp-1035680",
"created_at": "2022-09-04T14:45:02.192936Z",
"structure_string": "K1 Mg14 B1 O15\n1.0\n4.472818 0.000000 0.000000\n0.000000 8.204112 0.000000\n0.000000 0.000000 8.839333\nK Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.007718 K\n0.000000 0.000000 0.505137 Mg\n0.000000 0.500000 0.498107 Mg\n0.500000 0.739992 0.997740 Mg\n0.500000 0.260008 0.997740 Mg\n0.500000 0.748871 0.505820 Mg\n0.500000 0.251129 0.505820 Mg\n0.500000 0.000000 0.751466 Mg\n0.500000 0.500000 0.756657 Mg\n0.500000 0.000000 0.256034 Mg\n0.500000 0.500000 0.236893 Mg\n0.000000 0.750286 0.745941 Mg\n0.000000 0.249714 0.745941 Mg\n0.000000 0.742535 0.265286 Mg\n0.000000 0.257465 0.265286 Mg\n0.000000 0.500000 0.932935 B\n0.000000 0.000000 0.732664 O\n0.000000 0.000000 0.278634 O\n0.000000 0.500000 0.274588 O\n0.500000 0.749641 0.752660 O\n0.500000 0.250359 0.752660 O\n0.500000 0.749307 0.246714 O\n0.500000 0.250693 0.246714 O\n0.500000 0.000000 0.996681 O\n0.500000 0.500000 0.990836 O\n0.500000 0.000000 0.502755 O\n0.500000 0.500000 0.513827 O\n0.000000 0.668525 0.984084 O\n0.000000 0.331475 0.984084 O\n0.000000 0.745336 0.509289 O\n0.000000 0.254664 0.509289 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"K",
"Mg",
"B",
"O"
],
"chemical_system": "B-K-Mg-O",
"density": 3.226076975943898,
"density_atomic": 0.09557171758360204,
"volume": 324.3637425777404,
"volume_molar": 6.3011745653018,
"formula_full": "K1 Mg14 B1 O15",
"formula_reduced": "KMg14BO15",
"formula_anonymous": "ABC14D15",
"energy": -187.04069567,
"energy_per_atom": -6.033570828064516,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.73569567,
"band_gap": 2.4975000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.377000Z",
"spacegroup": 25
},
{
"id": "mp-12743",
"created_at": "2022-09-04T14:45:02.270754Z",
"structure_string": "Cr1 Te4 Au1\n1.0\n4.076315 0.000000 0.000000\n0.000000 5.563269 0.000000\n0.000000 0.043928 7.571840\nCr Te Au\n1 4 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.500000 0.217585 0.176487 Te\n0.000000 0.294240 0.617466 Te\n0.500000 0.782415 0.823513 Te\n0.000000 0.705760 0.382534 Te\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Te",
"Au"
],
"chemical_system": "Au-Cr-Te",
"density": 7.34343263548229,
"density_atomic": 0.03494234321471606,
"volume": 171.71143798602162,
"volume_molar": 17.234507494230552,
"formula_full": "Cr1 Te4 Au1",
"formula_reduced": "CrTe4Au",
"formula_anonymous": "ABC4",
"energy": -28.061159659999998,
"energy_per_atom": -4.676859943333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.37315966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9371262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.570000Z",
"spacegroup": 10
},
{
"id": "mp-28136",
"created_at": "2022-09-04T14:45:02.362830Z",
"structure_string": "Hg8 I4 O4\n1.0\n3.589263 8.968347 0.000000\n-3.589263 8.968347 0.000000\n0.000000 1.297147 6.917602\nHg I O\n8 4 4\ndirect\n0.851482 0.658252 0.712643 Hg\n0.341748 0.148518 0.787357 Hg\n0.148518 0.341748 0.287357 Hg\n0.658252 0.851482 0.212643 Hg\n0.906474 0.241889 0.722348 Hg\n0.758111 0.093526 0.777652 Hg\n0.093526 0.758111 0.277652 Hg\n0.241889 0.906474 0.222348 Hg\n0.217592 0.550192 0.824410 I\n0.449808 0.782408 0.675590 I\n0.782408 0.449808 0.175590 I\n0.550192 0.217592 0.324410 I\n0.053410 0.340642 0.658477 O\n0.659358 0.946590 0.841523 O\n0.946590 0.659358 0.341523 O\n0.340642 0.053410 0.158477 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"I",
"O"
],
"chemical_system": "Hg-I-O",
"density": 8.114685396053906,
"density_atomic": 0.03592665056954593,
"volume": 445.35184177627673,
"volume_molar": 16.76232174313742,
"formula_full": "Hg8 I4 O4",
"formula_reduced": "Hg2IO",
"formula_anonymous": "ABC2",
"energy": -37.02470112,
"energy_per_atom": -2.31404382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.76070112,
"band_gap": 0.9192,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.499000Z",
"spacegroup": 15
},
{
"id": "mp-1205825",
"created_at": "2022-09-04T14:45:02.564812Z",
"structure_string": "Ba2 Mg1 Mo1 O6\n1.0\n0.000000 4.106138 4.106138\n4.106138 0.000000 4.106138\n4.106138 4.106138 0.000000\nBa Mg Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mo\n0.761270 0.238730 0.238730 O\n0.238730 0.761270 0.761270 O\n0.238730 0.761270 0.238730 O\n0.761270 0.238730 0.761270 O\n0.238730 0.238730 0.761270 O\n0.761270 0.761270 0.238730 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Mo",
"O"
],
"chemical_system": "Ba-Mg-Mo-O",
"density": 5.887181712627688,
"density_atomic": 0.07222197837949543,
"volume": 138.4620059485812,
"volume_molar": 8.338376897343133,
"formula_full": "Ba2 Mg1 Mo1 O6",
"formula_reduced": "Ba2MgMoO6",
"formula_anonymous": "ABC2D6",
"energy": -74.32841029,
"energy_per_atom": -7.4328410289999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.00441029,
"band_gap": 2.2648,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.770000Z",
"spacegroup": 225
}
]
}