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=107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=105",
"results": [
{
"id": "mp-1209336",
"created_at": "2022-09-04T14:43:38.292569Z",
"structure_string": "Pr8 Sn12\n1.0\n6.496375 0.000000 0.000000\n-1.530780 8.472179 0.000000\n-1.337104 -3.665860 10.595092\nPr Sn\n8 12\ndirect\n0.331765 0.032263 0.744529 Pr\n0.668235 0.967737 0.255471 Pr\n0.957962 0.251349 0.056358 Pr\n0.042038 0.748651 0.943642 Pr\n0.557489 0.430172 0.336105 Pr\n0.442511 0.569828 0.663895 Pr\n0.125567 0.753859 0.384090 Pr\n0.874433 0.246141 0.615910 Pr\n0.048597 0.353260 0.379046 Sn\n0.951403 0.646740 0.620954 Sn\n0.356158 0.165630 0.498538 Sn\n0.643842 0.834370 0.501462 Sn\n0.437262 0.168849 0.051141 Sn\n0.562738 0.831151 0.948859 Sn\n0.323746 0.601964 0.138945 Sn\n0.676254 0.398036 0.861055 Sn\n0.222410 0.405894 0.864414 Sn\n0.777590 0.594106 0.135586 Sn\n0.177358 0.037342 0.223163 Sn\n0.822642 0.962658 0.776837 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pr",
"Sn"
],
"chemical_system": "Pr-Sn",
"density": 7.266438286221385,
"density_atomic": 0.03429723065488586,
"volume": 583.1374609002396,
"volume_molar": 17.558679359851197,
"formula_full": "Pr8 Sn12",
"formula_reduced": "Pr2Sn3",
"formula_anonymous": "A2B3",
"energy": -100.49300932,
"energy_per_atom": -5.024650466,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.49300932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0150985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.913000Z",
"spacegroup": 2
},
{
"id": "mp-1218155",
"created_at": "2022-09-04T14:43:38.330696Z",
"structure_string": "Sr1 La1 Ni1 O4\n1.0\n-1.932012 1.932012 6.236601\n1.932012 -1.932012 6.236601\n1.932012 1.932012 -6.236601\nSr La Ni O\n1 1 1 4\ndirect\n0.360131 0.360131 0.000000 Sr\n0.639448 0.639448 0.000000 La\n0.996774 0.996774 0.000000 Ni\n0.163223 0.163223 0.000000 O\n0.828714 0.828714 0.000000 O\n0.505856 0.005856 0.500000 O\n0.005856 0.505856 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"La",
"Ni",
"O"
],
"chemical_system": "La-Ni-O-Sr",
"density": 6.227535688406763,
"density_atomic": 0.0751744829261017,
"volume": 93.11670300254897,
"volume_molar": 8.010884179835209,
"formula_full": "Sr1 La1 Ni1 O4",
"formula_reduced": "SrLaNiO4",
"formula_anonymous": "ABCD4",
"energy": -50.87963697,
"energy_per_atom": -7.2685195671428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.59063697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0062642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.399000Z",
"spacegroup": 107
},
{
"id": "mp-639756",
"created_at": "2022-09-04T14:43:38.429061Z",
"structure_string": "Dy1 In3 Cu2\n1.0\n2.912078 -5.043868 0.000000\n2.912078 5.043868 0.000000\n0.000000 0.000000 4.257596\nDy In Cu\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.666667 0.333333 0.000000 Cu\n0.333333 0.666667 0.000000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"In",
"Cu"
],
"chemical_system": "Cu-Dy-In",
"density": 8.417995784112803,
"density_atomic": 0.04797225016468782,
"volume": 125.07230699836082,
"volume_molar": 12.553383965367699,
"formula_full": "Dy1 In3 Cu2",
"formula_reduced": "DyIn3Cu2",
"formula_anonymous": "AB2C3",
"energy": -21.59671846,
"energy_per_atom": -3.599453076666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.59671846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.59e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.004000Z",
"spacegroup": 191
},
{
"id": "mp-1516887",
"created_at": "2022-09-04T14:43:40.199715Z",
"structure_string": "Eu2 Ni1 W1 O6\n1.0\n0.000000 -3.989783 -3.989783\n3.989783 0.000000 -3.989783\n3.989783 -3.989783 0.000000\nEu Ni W 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 Ni\n0.500000 0.500000 0.500000 W\n0.744164 0.255836 0.255836 O\n0.255836 0.744164 0.744164 O\n0.744164 0.255836 0.744164 O\n0.255836 0.744164 0.255836 O\n0.744164 0.744164 0.255836 O\n0.255836 0.255836 0.744164 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Ni",
"W",
"O"
],
"chemical_system": "Eu-Ni-O-W",
"density": 8.398773735408694,
"density_atomic": 0.07872672362838623,
"volume": 127.02167115709022,
"volume_molar": 7.649423832784294,
"formula_full": "Eu2 Ni1 W1 O6",
"formula_reduced": "Eu2NiWO6",
"formula_anonymous": "ABC2D6",
"energy": -94.1655339,
"energy_per_atom": -9.41655339,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.0645339,
"band_gap": 0.4429999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.013000Z",
"spacegroup": 225
},
{
"id": "mp-1220699",
"created_at": "2022-09-04T14:43:37.232502Z",
"structure_string": "Nd18 Al10 S42\n1.0\n7.925398 -8.660328 0.000000\n7.925398 8.660328 0.000000\n-1.538010 0.000000 11.638202\nNd Al S\n18 10 42\ndirect\n0.258703 0.122387 0.883891 Nd\n0.922921 0.777036 0.542447 Nd\n0.599069 0.450613 0.230134 Nd\n0.450613 0.230134 0.599069 Nd\n0.122387 0.883891 0.258703 Nd\n0.777036 0.542447 0.922921 Nd\n0.542447 0.922921 0.777036 Nd\n0.230134 0.599069 0.450613 Nd\n0.883891 0.258703 0.122387 Nd\n0.417549 0.561609 0.793348 Nd\n0.070765 0.217339 0.450743 Nd\n0.755513 0.895527 0.124545 Nd\n0.217339 0.450743 0.070765 Nd\n0.895527 0.124545 0.755513 Nd\n0.561609 0.793348 0.417549 Nd\n0.124545 0.755513 0.895527 Nd\n0.793348 0.417549 0.561609 Nd\n0.450743 0.070765 0.217339 Nd\n0.952493 0.610602 0.277271 Al\n0.610602 0.277271 0.952493 Al\n0.277271 0.952493 0.610602 Al\n0.451568 0.773163 0.115714 Al\n0.115714 0.451568 0.773163 Al\n0.773163 0.115714 0.451568 Al\n0.145921 0.145921 0.145921 Al\n0.827116 0.827116 0.827116 Al\n0.327518 0.327518 0.327518 Al\n0.646079 0.646079 0.646079 Al\n0.827150 0.491131 0.158337 S\n0.491131 0.158337 0.827150 S\n0.158337 0.827150 0.491131 S\n0.658155 0.992998 0.325574 S\n0.325574 0.658155 0.992998 S\n0.992998 0.325574 0.658155 S\n0.986471 0.552232 0.454671 S\n0.641061 0.217532 0.128322 S\n0.301943 0.896189 0.790862 S\n0.896189 0.790862 0.301943 S\n0.552232 0.454671 0.986471 S\n0.217532 0.128322 0.641061 S\n0.128322 0.641061 0.217532 S\n0.790862 0.301943 0.896189 S\n0.454671 0.986471 0.552232 S\n0.522045 0.928156 0.034119 S\n0.188112 0.611169 0.701240 S\n0.840134 0.274103 0.370006 S\n0.611169 0.701240 0.188112 S\n0.274103 0.370006 0.840134 S\n0.928156 0.034119 0.522045 S\n0.370006 0.840134 0.274103 S\n0.034119 0.522045 0.928156 S\n0.701240 0.188112 0.611169 S\n0.690024 0.597802 0.450160 S\n0.333709 0.246241 0.111173 S\n0.998136 0.904606 0.763941 S\n0.904606 0.763941 0.998136 S\n0.597802 0.450160 0.690024 S\n0.246241 0.111173 0.333709 S\n0.111173 0.333709 0.246241 S\n0.763941 0.998136 0.904606 S\n0.450160 0.690024 0.597802 S\n0.628485 0.714710 0.850269 S\n0.277659 0.376119 0.512681 S\n0.969133 0.058023 0.208830 S\n0.376119 0.512681 0.277659 S\n0.058023 0.208830 0.969133 S\n0.714710 0.850269 0.628485 S\n0.208830 0.969133 0.058023 S\n0.850269 0.628485 0.714710 S\n0.512681 0.277659 0.376119 S\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Nd",
"Al",
"S"
],
"chemical_system": "Al-Nd-S",
"density": 4.378840061408649,
"density_atomic": 0.04381539505873918,
"volume": 1597.611978761291,
"volume_molar": 13.744348879946607,
"formula_full": "Nd18 Al10 S42",
"formula_reduced": "Nd9Al5S21",
"formula_anonymous": "A5B9C21",
"energy": -439.27172017999993,
"energy_per_atom": -6.275310288285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -418.14572018,
"band_gap": 2.3989000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.523000Z",
"spacegroup": 146
},
{
"id": "mp-1176201",
"created_at": "2022-09-04T14:43:37.265136Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.028049 0.000000 0.000000\n1.169120 7.750366 0.000000\n0.043795 0.064800 12.473186\nLi Mn Co O\n9 2 5 16\ndirect\n0.189992 0.624531 0.064788 Li\n0.936718 0.123337 0.313968 Li\n0.688763 0.624783 0.564808 Li\n0.814675 0.375214 0.936149 Li\n0.564798 0.875438 0.188608 Li\n0.314202 0.369732 0.441323 Li\n0.432616 0.130574 0.807134 Li\n0.060193 0.875658 0.683495 Li\n0.874904 0.248723 0.624262 Li\n0.993830 0.001183 0.000162 Mn\n0.629299 0.746974 0.871898 Mn\n0.749790 0.501940 0.252238 Co\n0.491746 0.011063 0.503275 Co\n0.263324 0.486405 0.744194 Co\n0.368530 0.253066 0.127311 Co\n0.124503 0.751582 0.377321 Co\n0.628918 0.813818 0.023150 O\n0.325949 0.320461 0.274588 O\n0.118315 0.820086 0.522332 O\n0.246672 0.563390 0.892259 O\n0.953799 0.067854 0.150643 O\n0.719419 0.564553 0.401032 O\n0.867140 0.326254 0.777376 O\n0.476904 0.051120 0.640638 O\n0.783926 0.437165 0.102229 O\n0.541438 0.934289 0.356507 O\n0.272256 0.446021 0.607223 O\n0.370558 0.186188 0.978035 O\n0.174285 0.684747 0.228449 O\n0.885654 0.171697 0.471144 O\n0.001008 0.935077 0.848674 O\n0.635878 0.677075 0.724784 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.101339923634129,
"density_atomic": 0.10931694068760545,
"volume": 292.7268161615157,
"volume_molar": 5.508881534847783,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.28625666,
"energy_per_atom": -6.477695520625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.76825666,
"band_gap": 0.0844,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0005374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.949000Z",
"spacegroup": 1
},
{
"id": "mp-1106136",
"created_at": "2022-09-04T14:43:37.353057Z",
"structure_string": "Gd4 Ga4 Pd8\n1.0\n5.717648 0.000000 0.000000\n0.000000 7.165782 0.000000\n0.000000 0.000000 7.471633\nGd Ga Pd\n4 4 8\ndirect\n0.349783 0.250000 0.532924 Gd\n0.150217 0.250000 0.032924 Gd\n0.650217 0.750000 0.467076 Gd\n0.849783 0.750000 0.967076 Gd\n0.651620 0.250000 0.879242 Ga\n0.848380 0.250000 0.379242 Ga\n0.348380 0.750000 0.120758 Ga\n0.151620 0.750000 0.620758 Ga\n0.912098 0.052799 0.677109 Pd\n0.587902 0.447201 0.177109 Pd\n0.087902 0.552799 0.322891 Pd\n0.412098 0.947201 0.822891 Pd\n0.087902 0.947201 0.322891 Pd\n0.412098 0.552799 0.822891 Pd\n0.912098 0.447201 0.677109 Pd\n0.587902 0.052799 0.177109 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Gd",
"Ga",
"Pd"
],
"chemical_system": "Ga-Gd-Pd",
"density": 9.542905265240915,
"density_atomic": 0.05226650306970089,
"volume": 306.123407159322,
"volume_molar": 11.52198904902643,
"formula_full": "Gd4 Ga4 Pd8",
"formula_reduced": "GdGaPd2",
"formula_anonymous": "ABC2",
"energy": -123.99143666,
"energy_per_atom": -7.74946479125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.99143666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.4231968,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.559000Z",
"spacegroup": 62
},
{
"id": "mp-1021408",
"created_at": "2022-09-04T14:43:37.551749Z",
"structure_string": "Na2 Mg12 Sn2\n1.0\n5.166892 0.000000 0.000000\n0.000000 6.467183 0.000000\n0.000000 0.000000 11.392657\nNa Mg Sn\n2 12 2\ndirect\n0.500000 0.500000 0.166992 Na\n0.500000 0.000000 0.666992 Na\n0.500000 0.251603 0.416349 Mg\n0.500000 0.748397 0.416349 Mg\n0.000000 0.749088 0.081812 Mg\n0.000000 0.250912 0.081812 Mg\n0.000000 0.000000 0.335751 Mg\n0.000000 0.500000 0.335165 Mg\n0.500000 0.751603 0.916349 Mg\n0.500000 0.248397 0.916349 Mg\n0.000000 0.249088 0.581812 Mg\n0.000000 0.750912 0.581812 Mg\n0.000000 0.500000 0.835751 Mg\n0.000000 0.000000 0.835165 Mg\n0.500000 0.000000 0.165767 Sn\n0.500000 0.500000 0.665767 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Sn"
],
"chemical_system": "Mg-Na-Sn",
"density": 2.508374358761359,
"density_atomic": 0.0420291325250449,
"volume": 380.6883235209696,
"volume_molar": 14.328491687073113,
"formula_full": "Na2 Mg12 Sn2",
"formula_reduced": "NaMg6Sn",
"formula_anonymous": "ABC6",
"energy": -30.01776059,
"energy_per_atom": -1.876110036875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.01776059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.115000Z",
"spacegroup": 38
},
{
"id": "mp-578752",
"created_at": "2022-09-04T14:43:37.605213Z",
"structure_string": "Sr22 In2 Sb18\n1.0\n-6.271980 6.630389 8.856700\n6.271980 -6.630389 8.856700\n6.271980 6.630389 -8.856700\nSr In Sb\n22 2 18\ndirect\n0.321416 0.321416 0.000000 Sr\n0.826577 0.840617 0.667035 Sr\n0.431510 0.068657 0.183547 Sr\n0.821416 0.821416 0.000000 Sr\n0.689030 0.944706 0.372584 Sr\n0.425608 0.688101 0.370371 Sr\n0.326577 0.659542 0.985960 Sr\n0.817730 0.188101 0.262493 Sr\n0.620477 0.415719 0.351197 Sr\n0.885110 0.247963 0.816453 Sr\n0.120477 0.769280 0.204758 Sr\n0.189030 0.816446 0.744324 Sr\n0.925608 0.555237 0.737507 Sr\n0.385110 0.568657 0.637148 Sr\n0.064522 0.269280 0.648803 Sr\n0.564522 0.915719 0.795242 Sr\n0.931510 0.747963 0.362852 Sr\n0.673582 0.340617 0.014040 Sr\n0.572123 0.316446 0.627416 Sr\n0.173582 0.159542 0.332965 Sr\n0.072123 0.444706 0.255676 Sr\n0.317730 0.055237 0.629629 Sr\n0.607344 0.607344 0.000000 In\n0.107344 0.107344 0.000000 In\n0.639134 0.640266 0.644951 Sb\n0.398569 0.969380 0.361695 Sb\n0.995314 0.994183 0.355049 Sb\n0.613781 0.625851 0.245935 Sb\n0.050233 0.042227 0.713541 Sb\n0.248993 0.748993 0.500000 Sb\n0.550233 0.836692 0.008006 Sb\n0.748993 0.248993 0.500000 Sb\n0.879917 0.125851 0.012071 Sb\n0.495314 0.140266 0.001132 Sb\n0.139134 0.494183 0.998868 Sb\n0.379917 0.367846 0.754065 Sb\n0.328686 0.336692 0.286459 Sb\n0.898569 0.536875 0.429190 Sb\n0.107685 0.469380 0.570810 Sb\n0.828686 0.542227 0.991994 Sb\n0.607685 0.036875 0.638305 Sb\n0.113781 0.867846 0.987929 Sb\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Sr",
"In",
"Sb"
],
"chemical_system": "In-Sb-Sr",
"density": 4.901833008549961,
"density_atomic": 0.02850845562768502,
"volume": 1473.2471147687538,
"volume_molar": 21.12405118905074,
"formula_full": "Sr22 In2 Sb18",
"formula_reduced": "Sr11InSb9",
"formula_anonymous": "AB9C11",
"energy": -162.62700667,
"energy_per_atom": -3.872071587380952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.17100667,
"band_gap": 1.1126000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.031000Z",
"spacegroup": 45
},
{
"id": "mp-1173916",
"created_at": "2022-09-04T14:43:37.715883Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n5.041407 0.000000 0.000000\n1.701707 5.555532 0.000000\n1.185149 2.624150 5.332985\nLi Mn Co O\n4 2 2 8\ndirect\n0.255315 0.123258 0.874364 Li\n0.755149 0.373292 0.624645 Li\n0.744685 0.876742 0.125636 Li\n0.244851 0.626708 0.375355 Li\n0.750803 0.372090 0.129317 Mn\n0.249197 0.627910 0.870683 Mn\n0.749279 0.876614 0.622328 Co\n0.250721 0.123386 0.377672 Co\n0.496888 0.223469 0.503741 O\n0.002164 0.474193 0.256432 O\n0.994824 0.981839 0.746196 O\n0.499779 0.730794 0.001366 O\n0.005176 0.018161 0.253804 O\n0.500221 0.269206 0.998634 O\n0.503112 0.776531 0.496259 O\n0.997836 0.525807 0.743568 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.263522827086535,
"density_atomic": 0.10712040523863645,
"volume": 149.36463285735482,
"volume_molar": 5.621842772704448,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy": -110.23741521,
"energy_per_atom": -6.889838450625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.12941521,
"band_gap": 0.6886999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.343000Z",
"spacegroup": 2
},
{
"id": "mp-29575",
"created_at": "2022-09-04T14:43:38.021518Z",
"structure_string": "Cs6 Fe4 Cl18\n1.0\n3.741599 -6.480639 0.000000\n3.741599 6.480639 0.000000\n0.000000 0.000000 18.159060\nCs Fe Cl\n6 4 18\ndirect\n0.666667 0.333333 0.916707 Cs\n0.333333 0.666667 0.416707 Cs\n0.666667 0.333333 0.583293 Cs\n0.333333 0.666667 0.083293 Cs\n0.000000 0.000000 0.750000 Cs\n0.000000 0.000000 0.250000 Cs\n0.333333 0.666667 0.845508 Fe\n0.666667 0.333333 0.345508 Fe\n0.666667 0.333333 0.154492 Fe\n0.333333 0.666667 0.654492 Fe\n0.640445 0.820222 0.591637 Cl\n0.640445 0.820222 0.908363 Cl\n0.179778 0.359555 0.591637 Cl\n0.179778 0.820222 0.908363 Cl\n0.820222 0.179778 0.408363 Cl\n0.820222 0.640445 0.408363 Cl\n0.520709 0.041418 0.250000 Cl\n0.479291 0.520709 0.750000 Cl\n0.041418 0.520709 0.750000 Cl\n0.958582 0.479291 0.250000 Cl\n0.179778 0.359555 0.908363 Cl\n0.479291 0.958582 0.750000 Cl\n0.820222 0.640445 0.091637 Cl\n0.179778 0.820222 0.591637 Cl\n0.520709 0.479291 0.250000 Cl\n0.359555 0.179778 0.091637 Cl\n0.820222 0.179778 0.091637 Cl\n0.359555 0.179778 0.408363 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Fe",
"Cl"
],
"chemical_system": "Cl-Cs-Fe",
"density": 3.128155538525229,
"density_atomic": 0.03179505651189241,
"volume": 880.6400450814442,
"volume_molar": 18.940493965618582,
"formula_full": "Cs6 Fe4 Cl18",
"formula_reduced": "Cs3Fe2Cl9",
"formula_anonymous": "A2B3C9",
"energy": -121.15694277,
"energy_per_atom": -4.327033670357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.10494277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0038787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.598000Z",
"spacegroup": 194
},
{
"id": "mp-1232050",
"created_at": "2022-09-04T14:43:37.339734Z",
"structure_string": "Eu16 Mg8 S32\n1.0\n13.070407 0.000000 0.000000\n0.000000 7.797832 0.000000\n0.000000 0.000000 12.782944\nEu Mg S\n16 8 32\ndirect\n0.108709 0.885540 0.684611 Eu\n0.891291 0.114460 0.184611 Eu\n0.391291 0.885540 0.184611 Eu\n0.608709 0.114460 0.684611 Eu\n0.125909 0.383865 0.325234 Eu\n0.874091 0.616135 0.825234 Eu\n0.374091 0.383865 0.825234 Eu\n0.625909 0.616135 0.325234 Eu\n0.135170 0.631547 0.993319 Eu\n0.864830 0.368453 0.493319 Eu\n0.364830 0.631547 0.493319 Eu\n0.635170 0.368453 0.993319 Eu\n0.136271 0.129961 0.992073 Eu\n0.863729 0.870039 0.492073 Eu\n0.363729 0.129961 0.492073 Eu\n0.636271 0.870039 0.992073 Eu\n0.110642 0.383856 0.692391 Mg\n0.889358 0.616144 0.192391 Mg\n0.389358 0.383856 0.192391 Mg\n0.610642 0.616144 0.692391 Mg\n0.125307 0.878696 0.320357 Mg\n0.874693 0.121304 0.820357 Mg\n0.374693 0.878696 0.820357 Mg\n0.625307 0.121304 0.320357 Mg\n0.010441 0.883090 0.879924 S\n0.989559 0.116910 0.379924 S\n0.489559 0.883090 0.379924 S\n0.510441 0.116910 0.879924 S\n0.025912 0.384969 0.130618 S\n0.974088 0.615031 0.630618 S\n0.474088 0.384969 0.630618 S\n0.525912 0.615031 0.130618 S\n0.021598 0.371133 0.870245 S\n0.978402 0.628867 0.370245 S\n0.478402 0.371133 0.370245 S\n0.521598 0.628867 0.870245 S\n0.043798 0.872635 0.140762 S\n0.956202 0.127365 0.640762 S\n0.456202 0.872635 0.640762 S\n0.543798 0.127365 0.140762 S\n0.208347 0.881210 0.496340 S\n0.791653 0.118790 0.996340 S\n0.291653 0.881210 0.996340 S\n0.708347 0.118790 0.496340 S\n0.209386 0.381279 0.524005 S\n0.790614 0.618721 0.024005 S\n0.290614 0.381279 0.024005 S\n0.709386 0.618721 0.524005 S\n0.231534 0.137039 0.771716 S\n0.768466 0.862961 0.271716 S\n0.268466 0.137039 0.271716 S\n0.731534 0.862961 0.771716 S\n0.235187 0.639285 0.775407 S\n0.764813 0.360715 0.275407 S\n0.264813 0.639285 0.275407 S\n0.735187 0.360715 0.775407 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"S"
],
"chemical_system": "Eu-Mg-S",
"density": 4.654567521738267,
"density_atomic": 0.04298274576338138,
"volume": 1302.848364045382,
"volume_molar": 14.01060042360181,
"formula_full": "Eu16 Mg8 S32",
"formula_reduced": "Eu2MgS4",
"formula_anonymous": "AB2C4",
"energy": -410.07505613,
"energy_per_atom": -7.3227688594642855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -393.97905613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 96.8423131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.394000Z",
"spacegroup": 29
}
]
}