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=band_gap&page=62",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=60",
"results": [
{
"id": "mp-1211021",
"created_at": "2022-09-04T14:39:08.319484Z",
"structure_string": "Mg8 Be12 N8 F48\n1.0\n10.067019 0.000000 0.000000\n0.000000 10.067019 0.000000\n0.000000 0.000000 10.067019\nMg Be N F\n8 12 8 48\ndirect\n0.335588 0.335588 0.335588 Mg\n0.164412 0.664412 0.835588 Mg\n0.664412 0.835588 0.164412 Mg\n0.835588 0.164412 0.664412 Mg\n0.601697 0.601697 0.601697 Mg\n0.898303 0.398303 0.101697 Mg\n0.398303 0.101697 0.898303 Mg\n0.101697 0.898303 0.398303 Mg\n0.017624 0.218097 0.375309 Be\n0.482376 0.781903 0.875309 Be\n0.982376 0.718097 0.124691 Be\n0.375309 0.017624 0.218097 Be\n0.517624 0.281903 0.624691 Be\n0.875309 0.482376 0.781903 Be\n0.124691 0.982376 0.718097 Be\n0.624691 0.517624 0.281903 Be\n0.218097 0.375309 0.017624 Be\n0.718097 0.124691 0.982376 Be\n0.281903 0.624691 0.517624 Be\n0.781903 0.875309 0.482376 Be\n0.049229 0.049229 0.049229 N\n0.450771 0.950771 0.549229 N\n0.950771 0.549229 0.450771 N\n0.549229 0.450771 0.950771 N\n0.816515 0.816515 0.816515 N\n0.683485 0.183485 0.316515 N\n0.183485 0.316515 0.683485 N\n0.316515 0.683485 0.183485 N\n0.013811 0.067589 0.333806 F\n0.486189 0.932411 0.833806 F\n0.986189 0.567589 0.166194 F\n0.333806 0.013811 0.067589 F\n0.513811 0.432411 0.666194 F\n0.833806 0.486189 0.932411 F\n0.166194 0.986189 0.567589 F\n0.666194 0.513811 0.432411 F\n0.067589 0.333806 0.013811 F\n0.567589 0.166194 0.986189 F\n0.432411 0.666194 0.513811 F\n0.932411 0.833806 0.486189 F\n0.271005 0.494100 0.436255 F\n0.228995 0.505900 0.936255 F\n0.728995 0.994100 0.063745 F\n0.436255 0.271005 0.494100 F\n0.771005 0.005900 0.563745 F\n0.936255 0.228995 0.505900 F\n0.063745 0.728995 0.994100 F\n0.563745 0.771005 0.005900 F\n0.494100 0.436255 0.271005 F\n0.994100 0.063745 0.728995 F\n0.005900 0.563745 0.771005 F\n0.505900 0.936255 0.228995 F\n0.044028 0.807863 0.232890 F\n0.455972 0.192137 0.732890 F\n0.955972 0.307863 0.267110 F\n0.232890 0.044028 0.807863 F\n0.544028 0.692137 0.767110 F\n0.732890 0.455972 0.192137 F\n0.267110 0.955972 0.307863 F\n0.767110 0.544028 0.692137 F\n0.807863 0.232890 0.044028 F\n0.307863 0.267110 0.955972 F\n0.692137 0.767110 0.544028 F\n0.192137 0.732890 0.455972 F\n0.165439 0.256476 0.397966 F\n0.334561 0.743524 0.897966 F\n0.834561 0.756476 0.102034 F\n0.397966 0.165439 0.256476 F\n0.665439 0.243524 0.602034 F\n0.897966 0.334561 0.743524 F\n0.102034 0.834561 0.756476 F\n0.602034 0.665439 0.243524 F\n0.256476 0.397966 0.165439 F\n0.756476 0.102034 0.834561 F\n0.243524 0.602034 0.665439 F\n0.743524 0.897966 0.334561 F\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Mg",
"Be",
"N",
"F"
],
"chemical_system": "Be-F-Mg-N",
"density": 2.1591079555377934,
"density_atomic": 0.07449222175545485,
"volume": 1020.2407474097756,
"volume_molar": 8.084254460512204,
"formula_full": "Mg8 Be12 N8 F48",
"formula_reduced": "Mg2Be3(NF6)2",
"formula_anonymous": "A2B2C3D12",
"energy": -392.54425753,
"energy_per_atom": -5.165056020131579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.36825753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0129964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.426000Z",
"spacegroup": 198
},
{
"id": "mp-769454",
"created_at": "2022-09-04T14:39:09.483088Z",
"structure_string": "Li9 Ni10 O20\n1.0\n6.425240 0.000000 0.000000\n0.157582 7.584909 0.000000\n0.162597 2.889358 7.014994\nLi Ni O\n9 10 20\ndirect\n0.692614 0.309958 0.809106 Li\n0.205214 0.790205 0.805887 Li\n0.401330 0.596003 0.608946 Li\n0.895295 0.104013 0.600229 Li\n0.104705 0.895987 0.399771 Li\n0.598670 0.403997 0.391054 Li\n0.307386 0.690042 0.190894 Li\n0.794786 0.209795 0.194113 Li\n0.000000 0.000000 0.000000 Li\n0.598368 0.899944 0.899639 Ni\n0.102320 0.400742 0.898795 Ni\n0.799755 0.699523 0.700985 Ni\n0.000000 0.500000 0.500000 Ni\n0.297982 0.197432 0.699805 Ni\n0.702018 0.802568 0.300195 Ni\n0.500000 0.000000 0.500000 Ni\n0.897680 0.599258 0.101205 Ni\n0.200245 0.300477 0.299015 Ni\n0.401632 0.100056 0.100361 Ni\n0.320709 0.951757 0.955100 O\n0.876438 0.846821 0.842350 O\n0.825733 0.455648 0.952113 O\n0.513792 0.779693 0.727884 O\n0.379070 0.339265 0.842651 O\n0.083816 0.644815 0.644284 O\n0.578819 0.146084 0.640588 O\n0.778442 0.948820 0.445639 O\n0.018503 0.251841 0.755741 O\n0.721021 0.555076 0.558279 O\n0.278979 0.444924 0.441721 O\n0.916184 0.355185 0.355716 O\n0.421181 0.853916 0.359412 O\n0.221558 0.051180 0.554361 O\n0.981497 0.748159 0.244259 O\n0.620930 0.660735 0.157349 O\n0.486208 0.220307 0.272116 O\n0.123562 0.153179 0.157650 O\n0.679291 0.048243 0.044900 O\n0.174267 0.544352 0.047887 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.708483445396204,
"density_atomic": 0.11407686406002131,
"volume": 341.87475542350313,
"volume_molar": 5.279020255002331,
"formula_full": "Li9 Ni10 O20",
"formula_reduced": "Li9(NiO2)10",
"formula_anonymous": "A9B10C20",
"energy": -230.35209548,
"energy_per_atom": -5.906463986666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.20209548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0211368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.353000Z",
"spacegroup": 2
},
{
"id": "mp-865797",
"created_at": "2022-09-04T14:39:08.322000Z",
"structure_string": "Lu1 Co2 Sn1\n1.0\n0.000000 3.174997 3.174997\n3.174997 0.000000 3.174997\n3.174997 3.174997 0.000000\nLu Co Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Co",
"Sn"
],
"chemical_system": "Co-Lu-Sn",
"density": 10.675906821734912,
"density_atomic": 0.06248849108556913,
"volume": 64.01178729892145,
"volume_molar": 9.63719983533213,
"formula_full": "Lu1 Co2 Sn1",
"formula_reduced": "LuCo2Sn",
"formula_anonymous": "ABC2",
"energy": -24.07896749,
"energy_per_atom": -6.0197418725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.07896749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0245375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.598000Z",
"spacegroup": 225
},
{
"id": "mp-1105945",
"created_at": "2022-09-04T14:39:09.494074Z",
"structure_string": "Sm12 Ni4\n1.0\n6.402330 0.000000 0.000000\n0.000000 6.919468 0.000000\n0.000000 0.000000 9.771273\nSm Ni\n12 4\ndirect\n0.321828 0.178580 0.564644 Sm\n0.178172 0.678580 0.935356 Sm\n0.678172 0.821420 0.064644 Sm\n0.821828 0.321420 0.435356 Sm\n0.678172 0.821420 0.435356 Sm\n0.821828 0.321420 0.064644 Sm\n0.321828 0.178580 0.935356 Sm\n0.178172 0.678580 0.564644 Sm\n0.862458 0.034379 0.750000 Sm\n0.637542 0.534379 0.750000 Sm\n0.137542 0.965621 0.250000 Sm\n0.362458 0.465621 0.250000 Sm\n0.063577 0.391269 0.750000 Ni\n0.436423 0.891269 0.750000 Ni\n0.936423 0.608731 0.250000 Ni\n0.563577 0.108731 0.250000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Ni"
],
"chemical_system": "Ni-Sm",
"density": 7.8221177809988935,
"density_atomic": 0.036962222300930554,
"volume": 432.87440537895327,
"volume_molar": 16.292691253708487,
"formula_full": "Sm12 Ni4",
"formula_reduced": "Sm3Ni",
"formula_anonymous": "AB3",
"energy": -82.84211115,
"energy_per_atom": -5.177631946875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.84211115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.677000Z",
"spacegroup": 62
},
{
"id": "mp-755168",
"created_at": "2022-09-04T14:39:07.899391Z",
"structure_string": "V8 O12 F4\n1.0\n3.083850 -6.615369 0.000000\n3.083850 6.615369 0.000000\n0.000000 0.000000 6.379488\nV O F\n8 12 4\ndirect\n0.879860 0.627462 0.750000 V\n0.372538 0.120140 0.750000 V\n0.381611 0.618389 0.750000 V\n0.873067 0.126933 0.750000 V\n0.126933 0.873067 0.250000 V\n0.618389 0.381611 0.250000 V\n0.120140 0.372538 0.250000 V\n0.627462 0.879860 0.250000 V\n0.524911 0.475089 0.750000 O\n0.375318 0.126361 0.449494 O\n0.873639 0.624682 0.449494 O\n0.624682 0.873639 0.550506 O\n0.873639 0.624682 0.050506 O\n0.375318 0.126361 0.050506 O\n0.126361 0.375318 0.550506 O\n0.475089 0.524911 0.250000 O\n0.224094 0.775906 0.750000 O\n0.775906 0.224094 0.250000 O\n0.126361 0.375318 0.949494 O\n0.624682 0.873639 0.949494 O\n0.023735 0.976265 0.750000 F\n0.724135 0.275865 0.750000 F\n0.976265 0.023735 0.250000 F\n0.275865 0.724135 0.250000 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.3094629250987975,
"density_atomic": 0.09220364751750491,
"volume": 260.2933901876668,
"volume_molar": 6.531347644198884,
"formula_full": "V8 O12 F4",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
"energy": -201.64256807,
"energy_per_atom": -8.401773669583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.95056807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9986718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.969000Z",
"spacegroup": 63
},
{
"id": "mp-1215904",
"created_at": "2022-09-04T14:39:09.411905Z",
"structure_string": "Y1 Er1\n1.0\n1.793785 -3.106926 0.000000\n1.793785 3.106926 0.000000\n0.000000 0.000000 5.743222\nY Er\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Er\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Er"
],
"chemical_system": "Er-Y",
"density": 6.64479730421236,
"density_atomic": 0.031242307210738722,
"volume": 64.01575871171744,
"volume_molar": 19.275595491007934,
"formula_full": "Y1 Er1",
"formula_reduced": "YEr",
"formula_anonymous": "AB",
"energy": -11.01248424,
"energy_per_atom": -5.50624212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.01248424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9483928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.242000Z",
"spacegroup": 187
},
{
"id": "mp-1182536",
"created_at": "2022-09-04T14:39:07.915621Z",
"structure_string": "Ca6 As4 O38\n1.0\n11.881052 0.358869 0.290287\n-4.198938 10.873517 -0.437259\n0.290679 -0.203975 6.080458\nCa As O\n6 4 38\ndirect\n0.825423 0.440327 0.677178 Ca\n0.174577 0.559673 0.322822 Ca\n0.882765 0.677618 0.191100 Ca\n0.117235 0.322382 0.808900 Ca\n0.849454 0.096114 0.484783 Ca\n0.150546 0.903886 0.515217 Ca\n0.731130 0.842057 0.742511 As\n0.268870 0.157943 0.257489 As\n0.910039 0.372192 0.202158 As\n0.089961 0.627808 0.797842 As\n0.811899 0.866358 0.040346 O\n0.188101 0.133642 0.959654 O\n0.871833 0.892661 0.566274 O\n0.128167 0.107339 0.433726 O\n0.659342 0.694705 0.747549 O\n0.340658 0.305295 0.252451 O\n0.578822 0.929629 0.111045 O\n0.421178 0.070371 0.888955 O\n0.056397 0.376486 0.157229 O\n0.943603 0.623514 0.842771 O\n0.922015 0.516321 0.325772 O\n0.077985 0.483679 0.674228 O\n0.837178 0.279688 0.411066 O\n0.162822 0.720312 0.588934 O\n0.834882 0.336610 0.965330 O\n0.165118 0.663390 0.034670 O\n0.568240 0.287691 0.632380 O\n0.431760 0.712309 0.367620 O\n0.685495 0.524943 0.388491 O\n0.314505 0.475057 0.611509 O\n0.698884 0.520250 0.021625 O\n0.301116 0.479750 0.978375 O\n0.941144 0.813569 0.527373 O\n0.058856 0.186431 0.472627 O\n0.061665 0.834866 0.193210 O\n0.938335 0.165134 0.806790 O\n0.868103 0.978388 0.116186 O\n0.131897 0.021612 0.883814 O\n0.686599 0.955785 0.672108 O\n0.313401 0.044215 0.327892 O\n0.639762 0.041200 0.172760 O\n0.360238 0.958800 0.827240 O\n0.583960 0.118258 0.212028 O\n0.416040 0.881742 0.787972 O\n0.529434 0.699610 0.319790 O\n0.470566 0.300390 0.680210 O\n0.643465 0.463577 0.200938 O\n0.356535 0.536423 0.799062 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 2.4044395888394847,
"density_atomic": 0.060536086244797026,
"volume": 792.915481947357,
"volume_molar": 9.948018006396296,
"formula_full": "Ca6 As4 O38",
"formula_reduced": "Ca3As2O19",
"formula_anonymous": "A2B3C19",
"energy": -261.19608883,
"energy_per_atom": -5.441585183958334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.19608883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.4517765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.600000Z",
"spacegroup": 2
},
{
"id": "mp-1105260",
"created_at": "2022-09-04T14:39:10.105280Z",
"structure_string": "Tb8 In2 Ge8 Rh2\n1.0\n2.138763 10.222671 0.000000\n-2.138763 10.222671 0.000000\n0.000000 2.689421 10.019050\nTb In Ge Rh\n8 2 8 2\ndirect\n0.278071 0.278071 0.344833 Tb\n0.721929 0.721929 0.655167 Tb\n0.371082 0.371082 0.993013 Tb\n0.628918 0.628918 0.006987 Tb\n0.372703 0.372703 0.639456 Tb\n0.627297 0.627297 0.360544 Tb\n0.541440 0.541440 0.726609 Tb\n0.458560 0.458560 0.273391 Tb\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.063128 0.063128 0.217239 Ge\n0.936872 0.936872 0.782761 Ge\n0.132896 0.132896 0.809252 Ge\n0.867104 0.867104 0.190748 Ge\n0.144808 0.144808 0.548138 Ge\n0.855192 0.855192 0.451862 Ge\n0.804703 0.804703 0.849428 Ge\n0.195297 0.195297 0.150572 Ge\n0.240603 0.240603 0.893759 Rh\n0.759397 0.759397 0.106241 Rh\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"In",
"Ge",
"Rh"
],
"chemical_system": "Ge-In-Rh-Tb",
"density": 8.671930712680634,
"density_atomic": 0.04565059156880238,
"volume": 438.11042338535657,
"volume_molar": 13.191813190249064,
"formula_full": "Tb8 In2 Ge8 Rh2",
"formula_reduced": "Tb4InGe4Rh",
"formula_anonymous": "ABC4D4",
"energy": -111.25804592,
"energy_per_atom": -5.562902296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.25804592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.885000Z",
"spacegroup": 12
},
{
"id": "mp-1522676",
"created_at": "2022-09-04T14:39:09.525930Z",
"structure_string": "Sm1 Eu1 Fe2 O6\n1.0\n0.000000 -0.000000 3.881561\n5.507525 0.000000 0.000000\n0.000000 5.507525 0.000000\nSm Eu Fe O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 -0.000000 Eu\n-0.000000 0.500000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.257433 0.257433 O\n0.000000 0.742567 0.742567 O\n0.000000 0.257433 0.742567 O\n-0.000000 0.742567 0.257433 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sm",
"Eu",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-O-Sm",
"density": 7.19297845799393,
"density_atomic": 0.08493381462938142,
"volume": 117.73873625759262,
"volume_molar": 7.090392426477383,
"formula_full": "Sm1 Eu1 Fe2 O6",
"formula_reduced": "SmEu(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -86.27679715000001,
"energy_per_atom": -8.627679715000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.64279715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8281721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.946000Z",
"spacegroup": 123
},
{
"id": "mp-1101943",
"created_at": "2022-09-04T14:39:09.533783Z",
"structure_string": "Ta4 Fe4 Si4\n1.0\n6.175422 0.000000 0.000000\n0.000000 3.738299 0.000000\n0.000000 0.000000 6.983151\nTa Fe Si\n4 4 4\ndirect\n0.015845 0.250000 0.312813 Ta\n0.515845 0.250000 0.187187 Ta\n0.984155 0.750000 0.687187 Ta\n0.484155 0.750000 0.812813 Ta\n0.148795 0.250000 0.935426 Fe\n0.648795 0.250000 0.564574 Fe\n0.851205 0.750000 0.064574 Fe\n0.351205 0.750000 0.435426 Fe\n0.277889 0.250000 0.615197 Si\n0.777889 0.250000 0.884803 Si\n0.722111 0.750000 0.384803 Si\n0.222111 0.750000 0.115197 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Ta",
"density": 10.913485910315984,
"density_atomic": 0.07443704732365689,
"volume": 161.21004837582095,
"volume_molar": 8.09024669371336,
"formula_full": "Ta4 Fe4 Si4",
"formula_reduced": "TaFeSi",
"formula_anonymous": "ABC",
"energy": -110.10891626999998,
"energy_per_atom": -9.175743022499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.39291627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3170132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.052000Z",
"spacegroup": 62
},
{
"id": "mp-1202253",
"created_at": "2022-09-04T14:39:08.311212Z",
"structure_string": "Eu8 Si12 Ni32\n1.0\n9.988713 0.000000 0.000000\n0.000000 9.988713 0.000000\n0.000000 0.000000 7.487501\nEu Si Ni\n8 12 32\ndirect\n0.500000 0.706093 0.641535 Eu\n0.500000 0.293907 0.641535 Eu\n0.206093 0.000000 0.141535 Eu\n0.793907 0.000000 0.141535 Eu\n0.000000 0.793907 0.858465 Eu\n0.000000 0.206093 0.858465 Eu\n0.293907 0.500000 0.358465 Eu\n0.706093 0.500000 0.358465 Eu\n0.500000 0.000000 0.264942 Si\n0.500000 0.000000 0.764942 Si\n0.000000 0.500000 0.235058 Si\n0.000000 0.500000 0.735058 Si\n0.292442 0.707558 0.000000 Si\n0.292442 0.292442 0.000000 Si\n0.707558 0.707558 0.000000 Si\n0.707558 0.292442 0.000000 Si\n0.207558 0.792442 0.500000 Si\n0.207558 0.207558 0.500000 Si\n0.792442 0.792442 0.500000 Si\n0.792442 0.207558 0.500000 Si\n0.500000 0.862542 0.007499 Ni\n0.500000 0.137458 0.007499 Ni\n0.362542 0.000000 0.507499 Ni\n0.637458 0.000000 0.507499 Ni\n0.000000 0.637458 0.492501 Ni\n0.000000 0.362542 0.492501 Ni\n0.137458 0.500000 0.992501 Ni\n0.862542 0.500000 0.992501 Ni\n0.372981 0.792734 0.281857 Ni\n0.372981 0.207266 0.281857 Ni\n0.627019 0.792734 0.281857 Ni\n0.627019 0.207266 0.281857 Ni\n0.292734 0.872981 0.781857 Ni\n0.292734 0.127019 0.781857 Ni\n0.707266 0.872981 0.781857 Ni\n0.707266 0.127019 0.781857 Ni\n0.127019 0.707266 0.218143 Ni\n0.127019 0.292734 0.218143 Ni\n0.872981 0.707266 0.218143 Ni\n0.872981 0.292734 0.218143 Ni\n0.207266 0.627019 0.718143 Ni\n0.207266 0.372981 0.718143 Ni\n0.792734 0.627019 0.718143 Ni\n0.792734 0.372981 0.718143 Ni\n0.500000 0.627529 0.102286 Ni\n0.500000 0.372471 0.102286 Ni\n0.127529 0.000000 0.602286 Ni\n0.872471 0.000000 0.602286 Ni\n0.000000 0.872471 0.397714 Ni\n0.000000 0.127529 0.397714 Ni\n0.372471 0.500000 0.897714 Ni\n0.627529 0.500000 0.897714 Ni\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Eu",
"Si",
"Ni"
],
"chemical_system": "Eu-Ni-Si",
"density": 7.626136711101969,
"density_atomic": 0.0696061126907978,
"volume": 747.0608254047004,
"volume_molar": 8.651741243978634,
"formula_full": "Eu8 Si12 Ni32",
"formula_reduced": "Eu2Si3Ni8",
"formula_anonymous": "A2B3C8",
"energy": -359.94590278000004,
"energy_per_atom": -6.922036591923078,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.79790278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 55.223708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.621000Z",
"spacegroup": 137
},
{
"id": "mp-1184571",
"created_at": "2022-09-04T14:39:12.022849Z",
"structure_string": "Hg1 Ge3\n1.0\n4.395510 0.000000 0.000000\n0.000000 4.395510 0.000000\n0.000000 0.000000 4.395510\nHg Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Ge\n0.500000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg",
"density": 8.183274507002201,
"density_atomic": 0.04710122193105758,
"volume": 84.92348682280114,
"volume_molar": 12.785529786922842,
"formula_full": "Hg1 Ge3",
"formula_reduced": "HgGe3",
"formula_anonymous": "AB3",
"energy": -12.80354611,
"energy_per_atom": -3.2008865275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.80354611,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.61e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.144000Z",
"spacegroup": 221
}
]
}