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=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=56",
"results": [
{
"id": "mp-6625",
"created_at": "2022-09-04T14:41:36.143927Z",
"structure_string": "La2 Ag2 S2 O2\n1.0\n4.091723 0.000000 0.000000\n0.000000 4.091723 0.000000\n0.000000 0.000000 9.102422\nLa Ag S O\n2 2 2 2\ndirect\n0.000000 0.500000 0.865035 La\n0.500000 0.000000 0.134965 La\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.306959 S\n0.500000 0.000000 0.693041 S\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"La",
"Ag",
"S",
"O"
],
"chemical_system": "Ag-La-O-S",
"density": 6.425297428420475,
"density_atomic": 0.052495317924426736,
"volume": 152.39454329083125,
"volume_molar": 11.471767384416243,
"formula_full": "La2 Ag2 S2 O2",
"formula_reduced": "LaAgSO",
"formula_anonymous": "ABCD",
"energy": -52.15335966,
"energy_per_atom": -6.5191699575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.77335966,
"band_gap": 1.3631000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.361000Z",
"spacegroup": 129
},
{
"id": "mp-561392",
"created_at": "2022-09-04T14:41:36.153662Z",
"structure_string": "Tc4 S4 O24 F4\n1.0\n8.349487 0.000000 0.000000\n0.000000 7.317627 0.000000\n0.000000 1.171606 9.180510\nTc S O F\n4 4 24 4\ndirect\n0.653172 0.254072 0.154186 Tc\n0.846828 0.254072 0.654186 Tc\n0.346828 0.745928 0.845814 Tc\n0.153172 0.745928 0.345814 Tc\n0.224857 0.085301 0.573648 S\n0.775143 0.914699 0.426352 S\n0.275143 0.085301 0.073648 S\n0.724857 0.914699 0.926352 S\n0.904431 0.412721 0.763537 O\n0.151827 0.966349 0.147295 O\n0.889446 0.351936 0.481104 O\n0.834925 0.971198 0.561665 O\n0.848173 0.033651 0.852705 O\n0.165075 0.028802 0.438335 O\n0.095569 0.587279 0.236463 O\n0.389446 0.648064 0.018896 O\n0.110554 0.648064 0.518896 O\n0.610554 0.351936 0.981104 O\n0.334925 0.028802 0.938335 O\n0.357027 0.748603 0.337287 O\n0.642973 0.251397 0.662713 O\n0.102312 0.140099 0.671981 O\n0.857027 0.251397 0.162713 O\n0.897688 0.859901 0.328019 O\n0.595569 0.412721 0.263537 O\n0.665075 0.971198 0.061665 O\n0.651827 0.033651 0.352705 O\n0.397688 0.140099 0.171981 O\n0.404431 0.587279 0.736463 O\n0.142973 0.748603 0.837287 O\n0.348173 0.966349 0.647295 O\n0.602312 0.859901 0.828019 O\n0.818059 0.731684 0.979505 F\n0.318059 0.268316 0.520495 F\n0.681941 0.731684 0.479505 F\n0.181941 0.268316 0.020495 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Tc",
"S",
"O",
"F"
],
"chemical_system": "F-O-S-Tc",
"density": 2.901912410534601,
"density_atomic": 0.06418087466219984,
"volume": 560.9147614375325,
"volume_molar": 9.383076799274003,
"formula_full": "Tc4 S4 O24 F4",
"formula_reduced": "TcSO6F",
"formula_anonymous": "ABCD6",
"energy": -249.32496458,
"energy_per_atom": -6.925693460555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.98896458,
"band_gap": 2.721,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.5e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.090000Z",
"spacegroup": 14
},
{
"id": "mp-1247630",
"created_at": "2022-09-04T14:41:36.370753Z",
"structure_string": "Ca8 Ti3 Mn5 O22\n1.0\n7.740281 0.000000 0.000000\n0.000000 7.678572 0.000000\n0.000000 0.000000 7.950526\nCa Ti Mn O\n8 3 5 22\ndirect\n0.233532 0.268645 0.272853 Ca\n0.264280 0.256070 0.760503 Ca\n0.233532 0.731355 0.272853 Ca\n0.264280 0.743930 0.760503 Ca\n0.766468 0.268645 0.272853 Ca\n0.735720 0.256070 0.760503 Ca\n0.766468 0.731355 0.272853 Ca\n0.735720 0.743930 0.760503 Ca\n0.000000 0.000000 0.985134 Ti\n0.000000 0.000000 0.510922 Ti\n0.500000 0.000000 0.996544 Ti\n0.000000 0.500000 0.030295 Mn\n0.000000 0.500000 0.524379 Mn\n0.500000 0.000000 0.464189 Mn\n0.500000 0.500000 0.994676 Mn\n0.500000 0.500000 0.507183 Mn\n0.000000 0.000000 0.746198 O\n0.000000 0.500000 0.280251 O\n0.000000 0.500000 0.780033 O\n0.500000 0.000000 0.219795 O\n0.500000 0.000000 0.701383 O\n0.500000 0.500000 0.746534 O\n0.251575 0.000000 0.949577 O\n0.211021 0.000000 0.403989 O\n0.259201 0.500000 0.048497 O\n0.253302 0.500000 0.504767 O\n0.748425 0.000000 0.949577 O\n0.788979 0.000000 0.403989 O\n0.740799 0.500000 0.048497 O\n0.746698 0.500000 0.504767 O\n0.000000 0.212127 0.089224 O\n0.000000 0.252418 0.524574 O\n0.000000 0.787873 0.089224 O\n0.000000 0.747582 0.524574 O\n0.500000 0.253234 0.974469 O\n0.500000 0.259207 0.444432 O\n0.500000 0.746766 0.974469 O\n0.500000 0.740793 0.444432 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Ti",
"density": 3.8335558514185566,
"density_atomic": 0.08041749600277873,
"volume": 472.53398686632767,
"volume_molar": 7.488595217876359,
"formula_full": "Ca8 Ti3 Mn5 O22",
"formula_reduced": "Ca8Ti3Mn5O22",
"formula_anonymous": "A3B5C8D22",
"energy": -303.94123884,
"energy_per_atom": -7.99845365368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.48723884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0008053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.968000Z",
"spacegroup": 25
},
{
"id": "mp-1100908",
"created_at": "2022-09-04T14:41:36.378617Z",
"structure_string": "V4 O8\n1.0\n2.962682 4.569312 0.000000\n-2.962682 4.569312 0.000000\n0.000000 0.082024 4.617817\nV O\n4 8\ndirect\n0.268578 0.731422 0.000000 V\n0.731422 0.268578 0.000000 V\n0.765262 0.765262 0.524535 V\n0.234738 0.234738 0.475465 V\n0.901576 0.901576 0.808534 O\n0.101418 0.599264 0.304215 O\n0.599264 0.101418 0.304215 O\n0.602747 0.602747 0.199800 O\n0.397253 0.397253 0.800200 O\n0.400736 0.898582 0.695785 O\n0.898582 0.400736 0.695785 O\n0.098424 0.098424 0.191466 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.406280337711627,
"density_atomic": 0.0959795434700252,
"volume": 125.0266417838052,
"volume_molar": 6.274400296434769,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -105.38376966,
"energy_per_atom": -8.781980805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.08776966,
"band_gap": 0.6480000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.158000Z",
"spacegroup": 12
},
{
"id": "mp-867903",
"created_at": "2022-09-04T14:41:36.387101Z",
"structure_string": "Li1 Lu1 Au2\n1.0\n0.000000 3.385712 3.385712\n3.385712 0.000000 3.385712\n3.385712 3.385712 0.000000\nLi Lu Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Lu\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Lu",
"Au"
],
"chemical_system": "Au-Li-Lu",
"density": 12.31889492750931,
"density_atomic": 0.05153235112337403,
"volume": 77.62114308395452,
"volume_molar": 11.686136240091866,
"formula_full": "Li1 Lu1 Au2",
"formula_reduced": "LiLuAu2",
"formula_anonymous": "ABC2",
"energy": -15.91859534,
"energy_per_atom": -3.979648835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.91859534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.480000Z",
"spacegroup": 225
},
{
"id": "mp-1016277",
"created_at": "2022-09-04T14:41:36.390667Z",
"structure_string": "Y1 Mg7\n1.0\n3.307578 -5.728894 0.000000\n3.307578 5.728894 0.000000\n0.000000 0.000000 5.176451\nY Mg\n1 7\ndirect\n0.333333 0.666667 0.500000 Y\n0.830934 0.661869 0.500000 Mg\n0.338131 0.169066 0.500000 Mg\n0.830934 0.169066 0.500000 Mg\n0.502012 0.497988 0.000000 Mg\n0.995977 0.497988 0.000000 Mg\n0.502012 0.004023 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.192675528262471,
"density_atomic": 0.0407799794565751,
"volume": 196.17469421530404,
"volume_molar": 14.767395276431484,
"formula_full": "Y1 Mg7",
"formula_reduced": "YMg7",
"formula_anonymous": "AB7",
"energy": -17.6926845,
"energy_per_atom": -2.2115855625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.6926845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.250000Z",
"spacegroup": 187
},
{
"id": "mp-690552",
"created_at": "2022-09-04T14:41:36.403378Z",
"structure_string": "Sr2 La2 Mn2 Mo2 O12\n1.0\n5.695525 -0.000015 0.030615\n-0.000015 5.837986 0.000002\n0.033269 0.000003 8.162340\nSr La Mn Mo O\n2 2 2 2 12\ndirect\n0.993403 0.039290 0.247041 Sr\n0.493419 0.460706 0.747040 Sr\n0.508313 0.550735 0.248702 La\n0.008294 0.949257 0.748702 La\n0.001383 0.496307 0.498337 Mn\n0.501250 0.003712 0.998377 Mn\n0.000197 0.496202 0.999134 Mo\n0.500210 0.003799 0.499133 Mo\n0.101325 0.471243 0.240796 O\n0.601317 0.028753 0.740797 O\n0.223123 0.191095 0.545657 O\n0.723122 0.308896 0.045654 O\n0.189914 0.206632 0.946331 O\n0.689925 0.293370 0.446336 O\n0.291164 0.728197 0.551538 O\n0.791153 0.771802 0.051530 O\n0.269546 0.694935 0.963026 O\n0.769546 0.805065 0.463032 O\n0.421696 0.963879 0.259421 O\n0.921701 0.536124 0.759421 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Mo",
"O"
],
"chemical_system": "La-Mn-Mo-O-Sr",
"density": 5.793023509438512,
"density_atomic": 0.07369330223028007,
"volume": 271.3950846917284,
"volume_molar": 8.17189700792855,
"formula_full": "Sr2 La2 Mn2 Mo2 O12",
"formula_reduced": "SrLaMnMoO6",
"formula_anonymous": "ABCDE6",
"energy": -169.06945382,
"energy_per_atom": -8.453472691,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.08545382,
"band_gap": 0.9097,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.416000Z",
"spacegroup": 7
},
{
"id": "mp-1219913",
"created_at": "2022-09-04T14:41:36.406172Z",
"structure_string": "Pr2 Cu1 Ag1\n1.0\n3.721320 0.000000 0.000000\n0.000000 3.721320 0.000000\n0.000000 0.000000 7.439168\nPr Cu Ag\n2 1 1\ndirect\n0.500000 0.500000 0.263706 Pr\n0.500000 0.500000 0.736294 Pr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Pr",
"density": 7.3054818561122605,
"density_atomic": 0.03882769331858382,
"volume": 103.01925399430073,
"volume_molar": 15.50991121359678,
"formula_full": "Pr2 Cu1 Ag1",
"formula_reduced": "Pr2CuAg",
"formula_anonymous": "ABC2",
"energy": -17.2134993,
"energy_per_atom": -4.303374825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.2134993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.283000Z",
"spacegroup": 123
},
{
"id": "mp-1046281",
"created_at": "2022-09-04T14:41:36.072356Z",
"structure_string": "Mg8 Cu10 Te6 O36\n1.0\n8.733509 0.031308 0.640787\n4.202344 7.656074 0.640787\n0.261868 0.155620 10.436355\nMg Cu Te O\n8 10 6 36\ndirect\n0.868766 0.532980 0.331206 Mg\n0.480739 0.556080 0.215355 Mg\n0.467020 0.131234 0.668794 Mg\n0.443920 0.519261 0.784645 Mg\n0.164600 0.872680 0.715486 Mg\n0.141488 0.260029 0.831200 Mg\n0.739971 0.858512 0.168800 Mg\n0.127320 0.835400 0.284514 Mg\n0.788871 0.513572 0.986748 Cu\n0.121803 0.180699 0.486229 Cu\n0.334055 0.336467 0.304194 Cu\n0.945790 0.725467 0.803978 Cu\n0.663533 0.665945 0.695806 Cu\n0.972708 0.027292 0.000000 Cu\n0.635239 0.364761 0.500000 Cu\n0.274533 0.054211 0.196022 Cu\n0.819301 0.878197 0.513771 Cu\n0.486428 0.211129 0.013252 Cu\n0.453201 0.861323 0.947699 Te\n0.804139 0.195695 0.250099 Te\n0.804305 0.195861 0.749901 Te\n0.469388 0.844995 0.447598 Te\n0.155005 0.530612 0.552402 Te\n0.138677 0.546799 0.052301 Te\n0.390071 0.076560 0.844015 O\n0.706187 0.436663 0.800051 O\n0.571561 0.622854 0.549987 O\n0.739894 0.112202 0.416267 O\n0.563337 0.293813 0.199949 O\n0.887798 0.260106 0.583733 O\n0.379268 0.766906 0.322014 O\n0.032124 0.109376 0.824894 O\n0.575944 0.283014 0.674450 O\n0.083873 0.419227 0.424295 O\n0.553727 0.644394 0.055403 O\n0.524024 0.973250 0.076140 O\n0.902196 0.954579 0.700142 O\n0.692095 0.740971 0.862301 O\n0.355606 0.446273 0.944597 O\n0.229071 0.624846 0.177855 O\n0.054967 0.746959 0.444378 O\n0.259029 0.307905 0.137699 O\n0.377146 0.428439 0.450013 O\n0.253040 0.945033 0.555622 O\n0.684804 0.781453 0.344161 O\n0.916413 0.650253 0.637705 O\n0.890624 0.967876 0.175106 O\n0.375154 0.770929 0.822145 O\n0.036619 0.768729 0.950003 O\n0.719616 0.132228 0.917110 O\n0.026750 0.475976 0.923860 O\n0.233094 0.620732 0.677986 O\n0.045421 0.097804 0.299858 O\n0.349747 0.083587 0.362295 O\n0.218547 0.315196 0.655839 O\n0.867772 0.280384 0.082890 O\n0.716986 0.424056 0.325550 O\n0.580773 0.916127 0.575705 O\n0.231271 0.963381 0.049997 O\n0.923440 0.609929 0.155985 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Mg-O-Te",
"density": 5.190356824646691,
"density_atomic": 0.08636620857969608,
"volume": 694.7161509890045,
"volume_molar": 6.972797415835331,
"formula_full": "Mg8 Cu10 Te6 O36",
"formula_reduced": "Mg4Cu5(TeO6)3",
"formula_anonymous": "A3B4C5D18",
"energy": -353.29509672,
"energy_per_atom": -5.888251612,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.56309672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.000134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.960000Z",
"spacegroup": 15
},
{
"id": "mp-573066",
"created_at": "2022-09-04T14:41:36.072789Z",
"structure_string": "Cs4 C8 S8 N4 O16 F24\n1.0\n3.570137 11.509721 0.000000\n-3.570137 11.509721 0.000000\n0.000000 0.576739 13.788080\nCs C S N O F\n4 8 8 4 16 24\ndirect\n0.145108 0.388640 0.349696 Cs\n0.388640 0.145108 0.849696 Cs\n0.854892 0.611360 0.650304 Cs\n0.611360 0.854892 0.150304 Cs\n0.499178 0.652717 0.380191 C\n0.872731 0.963160 0.388093 C\n0.036840 0.127269 0.111907 C\n0.652717 0.499178 0.880191 C\n0.347283 0.500822 0.119809 C\n0.127269 0.036840 0.611907 C\n0.500822 0.347283 0.619809 C\n0.963160 0.872731 0.888093 C\n0.295371 0.019039 0.582769 S\n0.213282 0.481176 0.087984 S\n0.518824 0.786718 0.412016 S\n0.786718 0.518824 0.912016 S\n0.481176 0.213282 0.587984 S\n0.704629 0.980961 0.417231 S\n0.019039 0.295371 0.082769 S\n0.980961 0.704629 0.917231 S\n0.523154 0.180656 0.474203 N\n0.476846 0.819344 0.525797 N\n0.819344 0.476846 0.025797 N\n0.180656 0.523154 0.974203 N\n0.961516 0.378022 0.850849 O\n0.275172 0.358752 0.604796 O\n0.993188 0.365750 0.176294 O\n0.634250 0.006812 0.323706 O\n0.038484 0.621978 0.149151 O\n0.621978 0.038484 0.649151 O\n0.358752 0.275172 0.104796 O\n0.378022 0.961516 0.350849 O\n0.827159 0.801825 0.471517 O\n0.641248 0.724828 0.895204 O\n0.198175 0.172841 0.028483 O\n0.801825 0.827159 0.971517 O\n0.006812 0.634250 0.823706 O\n0.365751 0.993188 0.676294 O\n0.724828 0.641248 0.395204 O\n0.172841 0.198175 0.528483 O\n0.873282 0.223202 0.157261 F\n0.485687 0.625542 0.932880 F\n0.514313 0.374458 0.067120 F\n0.234959 0.684360 0.104569 F\n0.933060 0.952258 0.970216 F\n0.454398 0.392399 0.715152 F\n0.545602 0.607601 0.284848 F\n0.807730 0.018839 0.829187 F\n0.684360 0.234959 0.604569 F\n0.981161 0.192270 0.670813 F\n0.018839 0.807730 0.329187 F\n0.952258 0.933061 0.470216 F\n0.047742 0.066940 0.529784 F\n0.392399 0.454398 0.215152 F\n0.374458 0.514313 0.567120 F\n0.126718 0.776798 0.842739 F\n0.765041 0.315640 0.895431 F\n0.315640 0.765041 0.395431 F\n0.223202 0.873282 0.657261 F\n0.776798 0.126718 0.342739 F\n0.192270 0.981161 0.170813 F\n0.625542 0.485687 0.432880 F\n0.607601 0.545602 0.784848 F\n0.066939 0.047742 0.029784 F\n",
"nsites": 64,
"nelements": 6,
"elements": [
"Cs",
"C",
"S",
"N",
"O",
"F"
],
"chemical_system": "C-Cs-F-N-O-S",
"density": 2.4211957263701307,
"density_atomic": 0.05648023635564932,
"volume": 1133.139733994731,
"volume_molar": 10.662385904476917,
"formula_full": "Cs4 C8 S8 N4 O16 F24",
"formula_reduced": "CsC2S2N(O2F3)2",
"formula_anonymous": "ABC2D2E4F6",
"energy": -376.62359542,
"energy_per_atom": -5.8847436784375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.09959542,
"band_gap": 5.937399999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.83e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.193000Z",
"spacegroup": 15
},
{
"id": "mp-1224458",
"created_at": "2022-09-04T14:41:36.080499Z",
"structure_string": "Ho2 Mn12 Ga1 Ge11\n1.0\n-2.585654 -4.478483 -0.000001\n-5.172667 0.000785 0.000000\n-0.000001 -0.000003 -16.230774\nHo Mn Ga Ge\n2 12 1 11\ndirect\n0.999979 0.000000 0.000664 Ho\n0.999977 0.000000 0.499938 Ho\n0.499994 0.499993 0.124436 Mn\n0.499989 0.499997 0.625348 Mn\n0.499999 0.000000 0.124428 Mn\n0.499994 0.000000 0.625351 Mn\n0.999987 0.500007 0.124436 Mn\n0.999986 0.500003 0.625348 Mn\n0.499990 0.499995 0.375237 Mn\n0.499991 0.499997 0.874616 Mn\n0.499995 0.000000 0.375232 Mn\n0.499995 0.000000 0.874617 Mn\n0.999986 0.500005 0.375237 Mn\n0.999988 0.500003 0.874616 Mn\n0.999997 0.000000 0.172880 Ga\n0.666659 0.666626 0.500024 Ge\n0.666683 0.666594 0.000516 Ge\n0.333278 0.333406 0.000516 Ge\n0.333285 0.333374 0.500024 Ge\n0.666664 0.666603 0.248862 Ge\n0.666649 0.666647 0.749973 Ge\n0.333267 0.333397 0.248862 Ge\n0.333296 0.333353 0.749973 Ge\n0.999990 0.000000 0.671901 Ge\n0.999992 0.000000 0.328656 Ge\n0.999991 0.000000 0.828310 Ge\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ho",
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-Ho-Mn",
"density": 8.204347885068243,
"density_atomic": 0.0691433816495664,
"volume": 376.0302053459522,
"volume_molar": 8.709641640788572,
"formula_full": "Ho2 Mn12 Ga1 Ge11",
"formula_reduced": "Ho2Mn12GaGe11",
"formula_anonymous": "AB2C11D12",
"energy": -181.09766277,
"energy_per_atom": -6.965294721923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.09766277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.3931415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.512000Z",
"spacegroup": 183
},
{
"id": "mp-570767",
"created_at": "2022-09-04T14:41:33.939505Z",
"structure_string": "Pr20 B20 C20\n1.0\n8.541951 0.000000 0.000000\n0.000000 8.577894 0.000000\n0.000000 0.000000 12.351091\nPr B C\n20 20 20\ndirect\n0.340151 0.008560 0.420452 Pr\n0.061101 0.697764 0.133421 Pr\n0.254922 0.711345 0.673223 Pr\n0.658046 0.908224 0.597094 Pr\n0.950200 0.597891 0.859446 Pr\n0.659849 0.508560 0.079548 Pr\n0.450200 0.902109 0.140554 Pr\n0.049800 0.097891 0.640554 Pr\n0.438899 0.302236 0.633421 Pr\n0.938899 0.197764 0.366579 Pr\n0.754922 0.788655 0.326777 Pr\n0.158046 0.591776 0.402906 Pr\n0.745078 0.211345 0.826777 Pr\n0.159849 0.991440 0.920452 Pr\n0.245078 0.288655 0.173223 Pr\n0.341954 0.408224 0.902906 Pr\n0.841954 0.091776 0.097094 Pr\n0.840151 0.491440 0.579548 Pr\n0.561101 0.802236 0.866579 Pr\n0.549800 0.402109 0.359446 Pr\n0.479943 0.112294 0.959445 B\n0.116819 0.396782 0.712791 B\n0.616819 0.103218 0.287209 B\n0.315524 0.691730 0.991743 B\n0.020057 0.887706 0.459445 B\n0.561672 0.200393 0.179104 B\n0.097973 0.973924 0.240651 B\n0.383181 0.603218 0.212791 B\n0.684476 0.191730 0.508257 B\n0.815524 0.808270 0.008257 B\n0.979943 0.387706 0.040555 B\n0.402027 0.026076 0.740651 B\n0.438328 0.700393 0.320896 B\n0.902027 0.473924 0.259349 B\n0.938328 0.799607 0.679104 B\n0.883181 0.896782 0.787209 B\n0.597973 0.526076 0.759349 B\n0.184476 0.308270 0.491743 B\n0.061672 0.299607 0.820896 B\n0.520057 0.612294 0.540555 B\n0.646238 0.105243 0.406917 C\n0.853762 0.894757 0.906917 C\n0.943005 0.389375 0.157956 C\n0.443005 0.110625 0.842044 C\n0.255630 0.701459 0.880505 C\n0.755630 0.798541 0.119495 C\n0.474868 0.692424 0.438686 C\n0.556995 0.610625 0.657956 C\n0.974868 0.807576 0.561314 C\n0.525132 0.192424 0.061314 C\n0.244370 0.298541 0.380505 C\n0.144611 0.996717 0.127369 C\n0.025132 0.307576 0.938686 C\n0.353762 0.605243 0.093083 C\n0.644611 0.503283 0.872631 C\n0.855389 0.496717 0.372631 C\n0.146238 0.394757 0.593083 C\n0.744370 0.201459 0.619495 C\n0.355389 0.003283 0.627369 C\n0.056995 0.889375 0.342044 C\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Pr",
"B",
"C"
],
"chemical_system": "B-C-Pr",
"density": 6.008451477506145,
"density_atomic": 0.06629918318189679,
"volume": 904.9885250529481,
"volume_molar": 9.083280473422734,
"formula_full": "Pr20 B20 C20",
"formula_reduced": "PrBC",
"formula_anonymous": "ABC",
"energy": -434.12142267,
"energy_per_atom": -7.235357044500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -434.12142267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.865000Z",
"spacegroup": 19
}
]
}