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=decomposes_to&page=10238",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10236",
"results": [
{
"id": "mp-554269",
"created_at": "2022-09-04T14:40:05.965947Z",
"structure_string": "K6 P2 W24 O80\n1.0\n11.996187 0.000000 0.000000\n0.000000 11.996187 0.000000\n0.000000 0.000000 11.996187\nK P W O\n6 2 24 80\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.214081 0.214081 0.007681 W\n0.507681 0.714081 0.285919 W\n0.214081 0.785919 0.992319 W\n0.214081 0.992319 0.785919 W\n0.992319 0.214081 0.785919 W\n0.492319 0.714081 0.714081 W\n0.785919 0.992319 0.214081 W\n0.714081 0.285919 0.507681 W\n0.007681 0.214081 0.214081 W\n0.714081 0.492319 0.714081 W\n0.992319 0.785919 0.214081 W\n0.214081 0.007681 0.214081 W\n0.007681 0.785919 0.785919 W\n0.785919 0.214081 0.992319 W\n0.492319 0.285919 0.285919 W\n0.285919 0.507681 0.714081 W\n0.785919 0.007681 0.785919 W\n0.285919 0.285919 0.492319 W\n0.507681 0.285919 0.714081 W\n0.714081 0.507681 0.285919 W\n0.785919 0.785919 0.007681 W\n0.285919 0.714081 0.507681 W\n0.714081 0.714081 0.492319 W\n0.285919 0.492319 0.285919 W\n0.315264 0.015633 0.684736 O\n0.123619 0.716538 0.876381 O\n0.402126 0.245673 0.597874 O\n0.745673 0.902126 0.902126 O\n0.097874 0.745673 0.097874 O\n0.123619 0.283462 0.123619 O\n0.254327 0.902126 0.097874 O\n0.902126 0.902126 0.745673 O\n0.216538 0.376381 0.376381 O\n0.815264 0.484367 0.184736 O\n0.315264 0.315264 0.984367 O\n0.425533 0.574467 0.574467 O\n0.876381 0.716538 0.123619 O\n0.623619 0.216538 0.623619 O\n0.184736 0.184736 0.515633 O\n0.984367 0.684736 0.684736 O\n0.716538 0.123619 0.876381 O\n0.623619 0.376381 0.783462 O\n0.097874 0.254327 0.902126 O\n0.074467 0.925533 0.925533 O\n0.402126 0.597874 0.245673 O\n0.684736 0.984367 0.684736 O\n0.097874 0.097874 0.745673 O\n0.754327 0.597874 0.597874 O\n0.123619 0.123619 0.283462 O\n0.283462 0.876381 0.876381 O\n0.574467 0.425533 0.574467 O\n0.402126 0.402126 0.754327 O\n0.902126 0.097874 0.254327 O\n0.815264 0.815264 0.515633 O\n0.515633 0.184736 0.184736 O\n0.283462 0.123619 0.123619 O\n0.484367 0.184736 0.815264 O\n0.815264 0.515633 0.815264 O\n0.216538 0.623619 0.623619 O\n0.376381 0.623619 0.783462 O\n0.184736 0.515633 0.184736 O\n0.484367 0.815264 0.184736 O\n0.597874 0.402126 0.245673 O\n0.574467 0.574467 0.425533 O\n0.925533 0.074467 0.925533 O\n0.597874 0.597874 0.754327 O\n0.402126 0.754327 0.402126 O\n0.754327 0.402126 0.402126 O\n0.902126 0.745673 0.902126 O\n0.876381 0.283462 0.876381 O\n0.245673 0.402126 0.597874 O\n0.254327 0.097874 0.902126 O\n0.597874 0.754327 0.597874 O\n0.684736 0.315264 0.015633 O\n0.015633 0.315264 0.684736 O\n0.074467 0.074467 0.074467 O\n0.876381 0.123619 0.716538 O\n0.623619 0.623619 0.216538 O\n0.184736 0.815264 0.484367 O\n0.876381 0.876381 0.283462 O\n0.925533 0.925533 0.074467 O\n0.376381 0.376381 0.216538 O\n0.123619 0.876381 0.716538 O\n0.376381 0.216538 0.376381 O\n0.716538 0.876381 0.123619 O\n0.984367 0.315264 0.315264 O\n0.597874 0.245673 0.402126 O\n0.783462 0.623619 0.376381 O\n0.245673 0.597874 0.402126 O\n0.515633 0.815264 0.815264 O\n0.184736 0.484367 0.815264 O\n0.097874 0.902126 0.254327 O\n0.902126 0.254327 0.097874 O\n0.425533 0.425533 0.425533 O\n0.315264 0.684736 0.015633 O\n0.684736 0.015633 0.315264 O\n0.315264 0.984367 0.315264 O\n0.783462 0.376381 0.623619 O\n0.015633 0.684736 0.315264 O\n0.815264 0.184736 0.484367 O\n0.684736 0.684736 0.984367 O\n0.745673 0.097874 0.097874 O\n0.623619 0.783462 0.376381 O\n0.376381 0.783462 0.623619 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"K",
"P",
"W",
"O"
],
"chemical_system": "K-O-P-W",
"density": 5.760342402882346,
"density_atomic": 0.06487663882203157,
"volume": 1726.3533073474473,
"volume_molar": 9.282448766373099,
"formula_full": "K6 P2 W24 O80",
"formula_reduced": "K3P(W3O10)4",
"formula_anonymous": "AB3C12D40",
"energy": -973.90525607,
"energy_per_atom": -8.695582643482142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -812.43325607,
"band_gap": 3.0675,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0604984,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.619000Z",
"spacegroup": 224
},
{
"id": "mp-1187493",
"created_at": "2022-09-04T14:40:05.973214Z",
"structure_string": "Yb1 Sc1 O3\n1.0\n4.048694 0.000000 0.000000\n0.000000 4.048694 0.000000\n0.000000 0.000000 4.048694\nYb Sc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sc\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": [
"Yb",
"Sc",
"O"
],
"chemical_system": "O-Sc-Yb",
"density": 6.655432123073923,
"density_atomic": 0.07533991782048842,
"volume": 66.36588072624986,
"volume_molar": 7.993293507896954,
"formula_full": "Yb1 Sc1 O3",
"formula_reduced": "YbScO3",
"formula_anonymous": "ABC3",
"energy": -38.52825703,
"energy_per_atom": -7.705651405999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.46725703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0004409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.100000Z",
"spacegroup": 221
},
{
"id": "mp-1096514",
"created_at": "2022-09-04T14:40:05.978184Z",
"structure_string": "Ti1 Re2 Mo1\n1.0\n-4.694319 6.298739 8.650875\n4.694319 -6.298739 8.650875\n4.694319 6.298739 -8.650875\nTi Re Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.254692 0.254692 Re\n0.000000 0.745308 0.745308 Re\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Mo"
],
"chemical_system": "Mo-Re-Ti",
"density": 0.8377964691277149,
"density_atomic": 0.003909432794916635,
"volume": 1023.1663286810117,
"volume_molar": 154.04129130523694,
"formula_full": "Ti1 Re2 Mo1",
"formula_reduced": "TiRe2Mo",
"formula_anonymous": "ABC2",
"energy": -26.03427302,
"energy_per_atom": -6.508568255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.03427302,
"band_gap": 0.1015999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.892000Z",
"spacegroup": 71
},
{
"id": "mp-23521",
"created_at": "2022-09-04T14:40:05.985426Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n-2.508413 2.508413 7.458513\n2.508413 -2.508413 7.458513\n2.508413 2.508413 -7.458513\nRb Cr Cl\n2 1 4\ndirect\n0.731770 0.731770 0.000000 Rb\n0.268230 0.268230 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.395383 0.895383 0.500000 Cl\n0.895383 0.395383 0.500000 Cl\n0.604617 0.104617 0.500000 Cl\n0.104617 0.604617 0.500000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Rb",
"density": 3.226462105289747,
"density_atomic": 0.03728959889671247,
"volume": 187.71990600888805,
"volume_molar": 16.149652820564192,
"formula_full": "Rb2 Cr1 Cl4",
"formula_reduced": "Rb2CrCl4",
"formula_anonymous": "AB2C4",
"energy": -29.06477214,
"energy_per_atom": -4.152110305714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.60877214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000206,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.155000Z",
"spacegroup": 139
},
{
"id": "mp-1094428",
"created_at": "2022-09-04T14:40:05.986438Z",
"structure_string": "Mg1 Zn5\n1.0\n1.398633 -2.422503 0.000000\n1.398633 2.422503 0.000000\n0.000000 0.000000 14.372677\nMg Zn\n1 5\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.824952 Zn\n0.666667 0.333333 0.663621 Zn\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.336379 Zn\n0.000000 0.000000 0.175048 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.990365195609467,
"density_atomic": 0.06160493369727934,
"volume": 97.39479681097325,
"volume_molar": 9.775419594788001,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -7.692087000000001,
"energy_per_atom": -1.2820145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.692087000000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.949000Z",
"spacegroup": 187
},
{
"id": "mp-29850",
"created_at": "2022-09-04T14:40:06.012176Z",
"structure_string": "Na6 Ti2 Cl12\n1.0\n7.122827 0.000000 0.000000\n0.000000 6.761363 0.000000\n0.000000 6.737593 9.925582\nNa Ti Cl\n6 2 12\ndirect\n0.080950 0.280421 0.243858 Na\n0.580950 0.719579 0.256142 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.919050 0.719579 0.756142 Na\n0.419050 0.280421 0.743858 Na\n0.500000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.450600 0.100588 0.270055 Cl\n0.676720 0.640504 0.563118 Cl\n0.176720 0.359496 0.936882 Cl\n0.323280 0.359496 0.436882 Cl\n0.287913 0.771908 0.069753 Cl\n0.787913 0.228092 0.430247 Cl\n0.712087 0.228092 0.930247 Cl\n0.212087 0.771908 0.569753 Cl\n0.549400 0.899412 0.729945 Cl\n0.049400 0.100588 0.770055 Cl\n0.823280 0.640504 0.063118 Cl\n0.950600 0.899412 0.229945 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Ti",
"Cl"
],
"chemical_system": "Cl-Na-Ti",
"density": 2.2896202397475185,
"density_atomic": 0.04183958469802137,
"volume": 478.0162170430391,
"volume_molar": 14.393404722979463,
"formula_full": "Na6 Ti2 Cl12",
"formula_reduced": "Na3TiCl6",
"formula_anonymous": "AB3C6",
"energy": -87.21853068,
"energy_per_atom": -4.360926534,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.85053068,
"band_gap": 0.0665999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.441000Z",
"spacegroup": 14
},
{
"id": "mp-1213544",
"created_at": "2022-09-04T14:40:05.940740Z",
"structure_string": "Er4 P8 O40\n1.0\n6.737131 0.000000 0.000000\n0.000000 10.358534 0.000000\n0.000000 0.000000 12.639080\nEr P O\n4 8 40\ndirect\n0.250000 0.238811 0.250000 Er\n0.750000 0.761189 0.750000 Er\n0.250000 0.261189 0.750000 Er\n0.750000 0.738811 0.250000 Er\n0.028412 0.498153 0.092753 P\n0.971588 0.501847 0.907247 P\n0.028412 0.001847 0.907247 P\n0.471588 0.001847 0.592753 P\n0.971588 0.998153 0.092753 P\n0.528412 0.998153 0.407247 P\n0.471588 0.498153 0.407247 P\n0.528412 0.501847 0.592753 P\n0.135930 0.564562 0.989408 O\n0.864070 0.435438 0.010592 O\n0.135930 0.935438 0.010592 O\n0.364070 0.935438 0.489408 O\n0.864070 0.064562 0.989408 O\n0.635930 0.064562 0.510592 O\n0.364070 0.564562 0.510592 O\n0.635930 0.435438 0.489408 O\n0.062630 0.095792 0.165245 O\n0.937370 0.904208 0.834755 O\n0.062630 0.404208 0.834755 O\n0.437370 0.404208 0.665245 O\n0.937370 0.595792 0.165245 O\n0.562630 0.595792 0.334755 O\n0.437370 0.095792 0.334755 O\n0.562630 0.904208 0.665245 O\n0.567751 0.268458 0.164455 O\n0.432249 0.731542 0.835545 O\n0.567751 0.231542 0.835545 O\n0.932249 0.231542 0.664455 O\n0.432249 0.768458 0.164455 O\n0.067751 0.768458 0.335545 O\n0.932249 0.268458 0.335545 O\n0.067751 0.731542 0.664455 O\n0.460971 0.204356 0.097651 O\n0.539029 0.795644 0.902349 O\n0.460971 0.295644 0.902349 O\n0.039029 0.295644 0.597651 O\n0.539029 0.704356 0.097651 O\n0.960971 0.704356 0.402349 O\n0.039029 0.204356 0.402349 O\n0.960971 0.795644 0.597651 O\n0.155979 0.396816 0.142403 O\n0.844021 0.603184 0.857597 O\n0.155979 0.103184 0.857597 O\n0.344021 0.103184 0.642403 O\n0.844021 0.896816 0.142403 O\n0.655979 0.896816 0.357597 O\n0.344021 0.396816 0.357597 O\n0.655979 0.603184 0.642403 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Er",
"P",
"O"
],
"chemical_system": "Er-O-P",
"density": 2.930851096345777,
"density_atomic": 0.0589541786212042,
"volume": 882.0409547915748,
"volume_molar": 10.214951511230115,
"formula_full": "Er4 P8 O40",
"formula_reduced": "Er(PO5)2",
"formula_anonymous": "AB2C10",
"energy": -358.66816722,
"energy_per_atom": -6.897464754230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -352.22816722,
"band_gap": 0.0033,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0037319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.479000Z",
"spacegroup": 52
},
{
"id": "mp-1234332",
"created_at": "2022-09-04T14:40:05.942056Z",
"structure_string": "Mg1 Mn6 O5 F7\n1.0\n-4.140323 4.140326 3.091486\n-0.105614 4.739583 -4.093489\n-4.741174 0.104622 -4.094485\nMg Mn O F\n1 6 5 7\ndirect\n0.833353 0.414085 0.919185 Mg\n0.833395 0.892570 0.440738 Mn\n0.718790 0.407710 0.442168 Mn\n0.333267 0.679671 0.653956 Mn\n0.193392 0.285977 0.348330 Mn\n0.473017 0.985187 0.047362 Mn\n0.947680 0.891139 0.925640 Mn\n0.649100 0.626779 0.617559 O\n0.936154 0.212007 0.289217 O\n0.730781 0.044227 0.121397 O\n0.017492 0.715664 0.706615 O\n0.333273 0.968852 0.364885 O\n0.654874 0.055945 0.705654 F\n0.333291 0.374044 0.959353 F\n0.282447 0.877282 0.900781 F\n0.384174 0.432267 0.455843 F\n0.674940 0.623560 0.072734 F\n0.991778 0.260557 0.709614 F\n0.012135 0.627478 0.277300 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"O",
"F"
],
"chemical_system": "F-Mg-Mn-O",
"density": 4.154885301640077,
"density_atomic": 0.08385760595682314,
"volume": 226.5745579450811,
"volume_molar": 7.181388845158183,
"formula_full": "Mg1 Mn6 O5 F7",
"formula_reduced": "MgMn6O5F7",
"formula_anonymous": "AB5C6D7",
"energy": -143.21155432,
"energy_per_atom": -7.537450227368422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.53455431999998,
"band_gap": 0.1131999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0000704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.678000Z",
"spacegroup": 5
},
{
"id": "mp-1521653",
"created_at": "2022-09-04T14:40:05.944599Z",
"structure_string": "Eu2 Hf1 Ti1 O6\n1.0\n0.000000 -4.041209 -4.041209\n4.041209 0.000000 -4.041209\n4.041209 -4.041209 0.000000\nEu Hf Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.745075 0.254925 0.254925 O\n0.254925 0.745075 0.745075 O\n0.745075 0.254925 0.745075 O\n0.254925 0.745075 0.254925 O\n0.745075 0.745075 0.254925 O\n0.254925 0.254925 0.745075 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Hf",
"Ti",
"O"
],
"chemical_system": "Eu-Hf-O-Ti",
"density": 7.8787021220430615,
"density_atomic": 0.07575932033340056,
"volume": 131.99696032108181,
"volume_molar": 7.949042749456896,
"formula_full": "Eu2 Hf1 Ti1 O6",
"formula_reduced": "Eu2HfTiO6",
"formula_anonymous": "ABC2D6",
"energy": -104.33767048,
"energy_per_atom": -10.433767048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.21567048,
"band_gap": 0.0034999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9542585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.428000Z",
"spacegroup": 225
},
{
"id": "mp-1110809",
"created_at": "2022-09-04T14:40:05.947355Z",
"structure_string": "Rb2 Ce1 Ag1 Cl6\n1.0\n0.000000 5.487359 5.487359\n5.487359 0.000000 5.487359\n5.487359 5.487359 0.000000\nRb Ce Ag Cl\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 Ce\n0.000000 0.000000 0.000000 Ag\n0.749812 0.250188 0.250188 Cl\n0.250188 0.250188 0.749812 Cl\n0.250188 0.749812 0.749812 Cl\n0.250188 0.749812 0.250188 Cl\n0.749812 0.250188 0.749812 Cl\n0.749812 0.749812 0.250188 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"Ag",
"Cl"
],
"chemical_system": "Ag-Ce-Cl-Rb",
"density": 3.173928155953071,
"density_atomic": 0.030260763563995006,
"volume": 330.46092769113875,
"volume_molar": 19.900822222362198,
"formula_full": "Rb2 Ce1 Ag1 Cl6",
"formula_reduced": "Rb2CeAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.24713617,
"energy_per_atom": -4.324713617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.56313617,
"band_gap": 0.2738,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0018365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.870000Z",
"spacegroup": 225
},
{
"id": "mp-1187322",
"created_at": "2022-09-04T14:40:05.949228Z",
"structure_string": "Tb3 Y1\n1.0\n-2.523029 2.523029 5.040289\n2.523029 -2.523029 5.040289\n2.523029 2.523029 -5.040289\nTb Y\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Y"
],
"chemical_system": "Tb-Y",
"density": 7.319163782813485,
"density_atomic": 0.031167364245402902,
"volume": 128.33937347108164,
"volume_molar": 19.32194430232659,
"formula_full": "Tb3 Y1",
"formula_reduced": "Tb3Y",
"formula_anonymous": "AB3",
"energy": -20.28170519,
"energy_per_atom": -5.0704262975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28170519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.287000Z",
"spacegroup": 139
},
{
"id": "mp-1185456",
"created_at": "2022-09-04T14:40:05.959843Z",
"structure_string": "Lu2 Pd1 Au1\n1.0\n0.000000 3.478895 3.478895\n3.478895 0.000000 3.478895\n3.478895 3.478895 0.000000\nLu Pd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Lu\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Pd",
"Au"
],
"chemical_system": "Au-Lu-Pd",
"density": 12.883132404884899,
"density_atomic": 0.047501358738788184,
"volume": 84.20811754030353,
"volume_molar": 12.677828424058323,
"formula_full": "Lu2 Pd1 Au1",
"formula_reduced": "Lu2PdAu",
"formula_anonymous": "ABC2",
"energy": -21.22958018,
"energy_per_atom": -5.307395045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22958018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.392000Z",
"spacegroup": 225
}
]
}