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=is_stable&page=12171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12169",
"results": [
{
"id": "mp-1025781",
"created_at": "2022-09-04T14:42:18.944728Z",
"structure_string": "Te4 Mo2 W1 Se2\n1.0\n1.739321 -3.012592 0.000000\n1.739321 3.012592 0.000000\n0.000000 0.000000 31.993328\nTe Mo W Se\n4 2 1 2\ndirect\n0.333333 0.666667 0.404797 Te\n0.666667 0.333333 0.520836 Te\n0.666667 0.333333 0.635823 Te\n0.333333 0.666667 0.289090 Te\n0.333333 0.666667 0.115664 Mo\n0.333333 0.666667 0.578366 Mo\n0.666667 0.333333 0.346968 W\n0.666667 0.333333 0.064921 Se\n0.666667 0.333333 0.166378 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.1707883577143825,
"density_atomic": 0.02684312268397539,
"volume": 335.2814091697593,
"volume_molar": 22.434576002571614,
"formula_full": "Te4 Mo2 W1 Se2",
"formula_reduced": "Te4Mo2WSe2",
"formula_anonymous": "AB2C2D4",
"energy": -59.70049578,
"energy_per_atom": -6.633388419999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.06849578,
"band_gap": 0.4761999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0049443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.720000Z",
"spacegroup": 156
},
{
"id": "mp-1222421",
"created_at": "2022-09-04T14:42:18.946681Z",
"structure_string": "Li3 N2\n1.0\n3.522590 0.000000 0.000000\n0.000000 3.522590 0.000000\n0.000000 0.000000 4.679690\nLi N\n3 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.781083 N\n0.000000 0.500000 0.218917 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.396533825312444,
"density_atomic": 0.08610506993798833,
"volume": 58.06858996341249,
"volume_molar": 6.9939444498878665,
"formula_full": "Li3 N2",
"formula_reduced": "Li3N2",
"formula_anonymous": "A2B3",
"energy": -20.80516679,
"energy_per_atom": -4.161033358,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.08316679,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9997123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.236000Z",
"spacegroup": 115
},
{
"id": "mp-1224619",
"created_at": "2022-09-04T14:42:18.950145Z",
"structure_string": "Gd2 Al2 Si2\n1.0\n-2.075065 2.075065 7.246116\n2.075065 -2.075065 7.246116\n2.075065 2.075065 -7.246116\nGd Al Si\n2 2 2\ndirect\n0.125244 0.625244 0.500000 Gd\n0.375244 0.375244 0.000000 Gd\n0.792201 0.792201 0.000000 Al\n0.542201 0.042201 0.500000 Al\n0.707555 0.207555 0.500000 Si\n0.957555 0.957555 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"Al",
"Si"
],
"chemical_system": "Al-Gd-Si",
"density": 5.649828397178011,
"density_atomic": 0.048075362364359706,
"volume": 124.80405149162335,
"volume_molar": 12.526459425014064,
"formula_full": "Gd2 Al2 Si2",
"formula_reduced": "GdAlSi",
"formula_anonymous": "ABC",
"energy": -50.08593402,
"energy_per_atom": -8.34765567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.227934020000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9901439,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.658000Z",
"spacegroup": 109
},
{
"id": "mp-1080220",
"created_at": "2022-09-04T14:42:18.952697Z",
"structure_string": "Mn24 H2 O48\n1.0\n5.914342 0.000000 0.000000\n0.000000 9.141166 0.000000\n0.000000 8.630821 14.002926\nMn H O\n24 2 48\ndirect\n0.874849 0.001119 0.501108 Mn\n0.876389 0.499395 0.500515 Mn\n0.375086 0.000018 0.499796 Mn\n0.373471 0.499912 0.501124 Mn\n0.874969 0.602934 0.158674 Mn\n0.874607 0.100836 0.159630 Mn\n0.374891 0.599251 0.157917 Mn\n0.374988 0.106891 0.155057 Mn\n0.880086 0.898019 0.843655 Mn\n0.874821 0.397578 0.842188 Mn\n0.370330 0.897043 0.844012 Mn\n0.375054 0.397792 0.842085 Mn\n0.624914 0.000018 0.999796 Mn\n0.626529 0.499912 0.001124 Mn\n0.125151 0.001119 0.001108 Mn\n0.123611 0.499395 0.000515 Mn\n0.625012 0.106891 0.655057 Mn\n0.625109 0.599251 0.657917 Mn\n0.125393 0.100836 0.659630 Mn\n0.125031 0.602934 0.658674 Mn\n0.624946 0.397792 0.342085 Mn\n0.629670 0.897043 0.344012 Mn\n0.125179 0.397578 0.342188 Mn\n0.119914 0.898019 0.343655 Mn\n0.374920 0.761177 0.266424 H\n0.625080 0.761177 0.766424 H\n0.876715 0.656128 0.938630 O\n0.874132 0.156381 0.938007 O\n0.374046 0.655312 0.939271 O\n0.375745 0.156371 0.938425 O\n0.874693 0.844439 0.062289 O\n0.874188 0.343225 0.061939 O\n0.375172 0.843397 0.062441 O\n0.375040 0.343628 0.062205 O\n0.125868 0.156381 0.438007 O\n0.123285 0.656128 0.438630 O\n0.624255 0.156371 0.438425 O\n0.625954 0.655312 0.439271 O\n0.624960 0.343628 0.562205 O\n0.624828 0.843397 0.562441 O\n0.125812 0.343225 0.561939 O\n0.125307 0.844439 0.562289 O\n0.125385 0.948595 0.899199 O\n0.124900 0.447999 0.898736 O\n0.625057 0.946417 0.898506 O\n0.625031 0.454023 0.896437 O\n0.123140 0.550510 0.102382 O\n0.125090 0.053499 0.102043 O\n0.626858 0.551413 0.102227 O\n0.624448 0.052296 0.101334 O\n0.875100 0.447999 0.398736 O\n0.874615 0.948595 0.399199 O\n0.374969 0.454023 0.396437 O\n0.374943 0.946417 0.398506 O\n0.874910 0.053499 0.602043 O\n0.876860 0.550510 0.602382 O\n0.375552 0.052296 0.601334 O\n0.373142 0.551413 0.602227 O\n0.125055 0.869765 0.774014 O\n0.125149 0.372377 0.772774 O\n0.624820 0.862402 0.772423 O\n0.624932 0.369960 0.773123 O\n0.129122 0.629422 0.227871 O\n0.127014 0.126780 0.227981 O\n0.620664 0.629316 0.227986 O\n0.622973 0.125677 0.228477 O\n0.874851 0.372377 0.272774 O\n0.874945 0.869765 0.274014 O\n0.375068 0.369960 0.273123 O\n0.375180 0.862402 0.272423 O\n0.872986 0.126780 0.727981 O\n0.870878 0.629422 0.727871 O\n0.377027 0.125677 0.728477 O\n0.379336 0.629316 0.727986 O\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.580963028493575,
"density_atomic": 0.09774732837833987,
"volume": 757.0539392501482,
"volume_molar": 6.16092619604984,
"formula_full": "Mn24 H2 O48",
"formula_reduced": "Mn12HO24",
"formula_anonymous": "AB12C24",
"energy": -595.7816651,
"energy_per_atom": -8.051103582432432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -522.7736651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 74.0592318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.968000Z",
"spacegroup": 7
},
{
"id": "mp-1176998",
"created_at": "2022-09-04T14:42:18.954986Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n4.912472 8.459370 0.000000\n-4.912472 8.459370 0.000000\n0.000000 0.089917 14.027326\nLi V P O\n12 6 16 58\ndirect\n0.767273 0.903679 0.194430 Li\n0.905510 0.331287 0.191546 Li\n0.763806 0.334528 0.686881 Li\n0.334560 0.901998 0.684800 Li\n0.665472 0.236195 0.313119 Li\n0.333261 0.765479 0.193520 Li\n0.668713 0.094490 0.808454 Li\n0.234521 0.666739 0.806480 Li\n0.098002 0.665440 0.315200 Li\n0.096321 0.232727 0.805570 Li\n0.988445 0.954899 0.734535 Li\n0.045101 0.011555 0.265465 Li\n0.562566 0.437434 0.500000 V\n0.436199 0.563801 0.000000 V\n0.564627 0.997553 0.000312 V\n0.436009 0.004076 0.496425 V\n0.995924 0.563991 0.503575 V\n0.002447 0.435373 0.999688 V\n0.915782 0.778552 0.911034 P\n0.778300 0.914711 0.410098 P\n0.911861 0.310535 0.406491 P\n0.663225 0.668911 0.617893 P\n0.666081 0.663856 0.118346 P\n0.774277 0.313732 0.908459 P\n0.686268 0.225723 0.091541 P\n0.312475 0.914918 0.903404 P\n0.689465 0.088139 0.593510 P\n0.312683 0.777513 0.408428 P\n0.222487 0.687317 0.591572 P\n0.331089 0.336775 0.382107 P\n0.336144 0.333919 0.881654 P\n0.085082 0.687525 0.096596 P\n0.221448 0.084218 0.088966 P\n0.085289 0.221700 0.589902 P\n0.999181 0.766883 0.187412 O\n0.921740 0.748482 0.409865 O\n0.780939 0.014063 0.683288 O\n0.743726 0.917464 0.909803 O\n0.921644 0.619030 0.918915 O\n0.809446 0.671110 0.570482 O\n0.918547 0.462498 0.415372 O\n0.995305 0.222353 0.678816 O\n0.920658 0.336393 0.909583 O\n0.678057 0.808037 0.079250 O\n0.624202 0.910306 0.421044 O\n0.811323 0.509892 0.078651 O\n0.662761 0.668791 0.723950 O\n0.656203 0.662105 0.224315 O\n0.674897 0.513152 0.578466 O\n0.470458 0.910703 0.921034 O\n0.511785 0.814503 0.576409 O\n0.739940 0.340715 0.411131 O\n0.796607 0.203393 0.000000 O\n0.773571 0.225629 0.180218 O\n0.774371 0.226429 0.819782 O\n0.621969 0.471347 0.921137 O\n0.512060 0.673503 0.073770 O\n0.659285 0.260060 0.588869 O\n0.464914 0.618279 0.418506 O\n0.343725 0.914661 0.409104 O\n0.799207 0.001955 0.502025 O\n0.777647 0.004695 0.321184 O\n0.206828 0.991141 0.170014 O\n0.663607 0.079342 0.090417 O\n0.528653 0.378031 0.078863 O\n0.332885 0.748869 0.906205 O\n0.486848 0.325103 0.421534 O\n0.381721 0.535086 0.581494 O\n0.216168 0.781391 0.679715 O\n0.218609 0.783832 0.320285 O\n0.203823 0.796177 0.500000 O\n0.251131 0.667115 0.093795 O\n0.490108 0.188677 0.921349 O\n0.537502 0.081453 0.584628 O\n0.326497 0.487940 0.926230 O\n0.337895 0.343797 0.775685 O\n0.331209 0.337239 0.276050 O\n0.185497 0.488215 0.423591 O\n0.380970 0.078356 0.081085 O\n0.328890 0.190554 0.429518 O\n0.085339 0.656275 0.590896 O\n0.988262 0.801779 0.009263 O\n0.008859 0.793172 0.829986 O\n0.089297 0.529542 0.078966 O\n0.191963 0.321943 0.920750 O\n0.089694 0.375798 0.578956 O\n0.251518 0.078260 0.590135 O\n0.233117 0.000819 0.812588 O\n0.198221 0.011738 0.990737 O\n0.082536 0.256274 0.090197 O\n0.985937 0.219061 0.316712 O\n0.998045 0.200793 0.497975 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.581551880811035,
"density_atomic": 0.07891232380623896,
"volume": 1165.8508527248098,
"volume_molar": 7.631432543776993,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.3213136,
"energy_per_atom": -7.557840365217392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.2753136,
"band_gap": 1.164,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0060149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.887000Z",
"spacegroup": 5
},
{
"id": "mp-755978",
"created_at": "2022-09-04T14:42:18.964283Z",
"structure_string": "Ni6 O2 F10\n1.0\n3.352493 4.519270 0.000000\n-3.352493 4.519270 0.000000\n0.000000 2.683948 6.771931\nNi O F\n6 2 10\ndirect\n0.334566 0.334566 0.165829 Ni\n0.324421 0.324421 0.663146 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.665434 0.665434 0.834171 Ni\n0.675579 0.675579 0.336854 Ni\n0.903611 0.903611 0.295566 O\n0.096389 0.096389 0.704434 O\n0.631647 0.026565 0.664646 F\n0.303812 0.696188 0.000000 F\n0.233519 0.233519 0.963719 F\n0.559387 0.559387 0.634473 F\n0.440613 0.440613 0.365527 F\n0.766481 0.766481 0.036281 F\n0.368353 0.973435 0.335354 F\n0.026565 0.631647 0.664646 F\n0.696188 0.303812 0.000000 F\n0.973435 0.368353 0.335354 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O",
"density": 4.6461225268247555,
"density_atomic": 0.0877190292089805,
"volume": 205.2006293539463,
"volume_molar": 6.86526152227807,
"formula_full": "Ni6 O2 F10",
"formula_reduced": "Ni3OF5",
"formula_anonymous": "AB3C5",
"energy": -99.58445919,
"energy_per_atom": -5.532469955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.34445919000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9996667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.351000Z",
"spacegroup": 12
},
{
"id": "mp-1226837",
"created_at": "2022-09-04T14:42:18.969116Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n-2.362138 3.381147 12.148181\n2.362138 -3.381147 12.148181\n2.362138 3.381147 -12.148181\nCd Te Pb\n4 5 1\ndirect\n0.391573 0.393913 0.997660 Cd\n0.795634 0.796406 0.999228 Cd\n0.202822 0.203594 0.999228 Cd\n0.603747 0.606087 0.997660 Cd\n0.629134 0.889846 0.739287 Te\n0.042322 0.298849 0.743473 Te\n0.444625 0.701151 0.743473 Te\n0.849441 0.110154 0.739287 Te\n0.296427 0.500000 0.796427 Te\n0.994276 0.000000 0.994276 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Pb"
],
"chemical_system": "Cd-Pb-Te",
"density": 5.540206875372126,
"density_atomic": 0.025766737656845593,
"volume": 388.09724898732935,
"volume_molar": 23.371762619704654,
"formula_full": "Cd4 Te5 Pb1",
"formula_reduced": "Cd4Te5Pb",
"formula_anonymous": "AB4C5",
"energy": -29.05592948,
"energy_per_atom": -2.905592948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.94592948,
"band_gap": 1.2262999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.056000Z",
"spacegroup": 44
},
{
"id": "mp-1094937",
"created_at": "2022-09-04T14:42:19.136951Z",
"structure_string": "Mg1 Cd3\n1.0\n-1.604338 2.644506 5.285435\n1.604338 -2.644506 5.285435\n1.604338 2.644506 -5.285435\nMg Cd\n1 3\ndirect\n0.336046 0.000000 0.336046 Mg\n0.831518 0.500000 0.331518 Cd\n0.251155 0.251604 0.999551 Cd\n0.747947 0.748396 0.999551 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.693016476819881,
"density_atomic": 0.04459424718434864,
"volume": 89.69766847872455,
"volume_molar": 13.504299635567358,
"formula_full": "Mg1 Cd3",
"formula_reduced": "MgCd3",
"formula_anonymous": "AB3",
"energy": -4.47027592,
"energy_per_atom": -1.11756898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.47027592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.786000Z",
"spacegroup": 44
},
{
"id": "mp-15958",
"created_at": "2022-09-04T14:42:18.974728Z",
"structure_string": "Nb6 V2 S12\n1.0\n2.906636 -5.034442 0.000000\n2.906636 5.034442 0.000000\n0.000000 0.000000 12.230195\nNb V S\n6 2 12\ndirect\n0.333333 0.666667 0.502358 Nb\n0.666667 0.333333 0.002358 Nb\n0.666667 0.333333 0.497642 Nb\n0.333333 0.666667 0.997642 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333333 0.750000 V\n0.333333 0.666667 0.250000 V\n0.665182 0.668614 0.371033 S\n0.331386 0.996569 0.371033 S\n0.003431 0.334818 0.371033 S\n0.996569 0.665182 0.871033 S\n0.334818 0.003431 0.628967 S\n0.334818 0.331386 0.871033 S\n0.668614 0.003431 0.871033 S\n0.331386 0.334818 0.128967 S\n0.665182 0.996569 0.128967 S\n0.668614 0.665182 0.628967 S\n0.996569 0.331386 0.628967 S\n0.003431 0.668614 0.128967 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"V",
"S"
],
"chemical_system": "Nb-S-V",
"density": 4.843801734489832,
"density_atomic": 0.05587591247605876,
"volume": 357.93598911819885,
"volume_molar": 10.777704547698109,
"formula_full": "Nb6 V2 S12",
"formula_reduced": "Nb3VS6",
"formula_anonymous": "AB3C6",
"energy": -157.65291299,
"energy_per_atom": -7.882645649500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.61691299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0055976,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.818000Z",
"spacegroup": 182
},
{
"id": "mp-1187217",
"created_at": "2022-09-04T14:42:18.978944Z",
"structure_string": "Sr1 Pm1 Pt2\n1.0\n0.000000 3.615872 3.615872\n3.615872 0.000000 3.615872\n3.615872 3.615872 0.000000\nSr Pm Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Pm",
"Pt"
],
"chemical_system": "Pm-Pt-Sr",
"density": 10.937553563865585,
"density_atomic": 0.04230491734227416,
"volume": 94.55165619725507,
"volume_molar": 14.235084567774908,
"formula_full": "Sr1 Pm1 Pt2",
"formula_reduced": "SrPmPt2",
"formula_anonymous": "ABC2",
"energy": -22.18112104,
"energy_per_atom": -5.54528026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.18112104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.570000Z",
"spacegroup": 225
},
{
"id": "mp-1193911",
"created_at": "2022-09-04T14:42:18.983725Z",
"structure_string": "Yb19 Mg8\n1.0\n-6.195293 6.195293 6.195293\n6.195293 -6.195293 6.195293\n6.195293 6.195293 -6.195293\nYb Mg\n19 8\ndirect\n0.334880 0.027621 0.692740 Yb\n0.665120 0.972379 0.307260 Yb\n0.665120 0.357860 0.692740 Yb\n0.334880 0.642140 0.307260 Yb\n0.027621 0.692740 0.334880 Yb\n0.972379 0.307260 0.665120 Yb\n0.357860 0.692740 0.665120 Yb\n0.642140 0.307260 0.334880 Yb\n0.692740 0.334880 0.027621 Yb\n0.307260 0.665120 0.972379 Yb\n0.692740 0.665120 0.357860 Yb\n0.307260 0.334880 0.642140 Yb\n0.680227 0.000000 0.680227 Yb\n0.319773 0.000000 0.319773 Yb\n0.000000 0.680227 0.680227 Yb\n0.000000 0.319773 0.319773 Yb\n0.680227 0.680227 0.000000 Yb\n0.319773 0.319773 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.666215 Mg\n0.666215 0.000000 0.000000 Mg\n0.000000 0.666215 0.000000 Mg\n0.333785 0.333785 0.333785 Mg\n0.000000 0.000000 0.333785 Mg\n0.333785 0.000000 0.000000 Mg\n0.000000 0.333785 0.000000 Mg\n0.666215 0.666215 0.666215 Mg\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 6.079351650569822,
"density_atomic": 0.028386916527249596,
"volume": 951.1424030180154,
"volume_molar": 21.214494199181992,
"formula_full": "Yb19 Mg8",
"formula_reduced": "Yb19Mg8",
"formula_anonymous": "A8B19",
"energy": -41.60564334,
"energy_per_atom": -1.5409497533333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.60564334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0089191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.120000Z",
"spacegroup": 204
},
{
"id": "mp-982018",
"created_at": "2022-09-04T14:42:18.985258Z",
"structure_string": "Ho3 Sb1\n1.0\n-2.307614 2.307614 5.207702\n2.307614 -2.307614 5.207702\n2.307614 2.307614 -5.207702\nHo Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 9.229658441952205,
"density_atomic": 0.03606015134474304,
"volume": 110.92576849606408,
"volume_molar": 16.700264794861788,
"formula_full": "Ho3 Sb1",
"formula_reduced": "Ho3Sb",
"formula_anonymous": "AB3",
"energy": -19.90442864,
"energy_per_atom": -4.97610716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.71242864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.251000Z",
"spacegroup": 139
}
]
}