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=-updated_at&page=12145",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=12143",
"results": [
{
"id": "mp-1022600",
"created_at": "2022-09-04T14:39:32.617786Z",
"structure_string": "Mg12 Zn2 Mo2\n1.0\n4.846976 0.000000 0.000000\n0.000000 6.035917 0.000000\n0.000000 0.000000 10.680137\nMg Zn Mo\n12 2 2\ndirect\n0.500000 0.252360 0.418853 Mg\n0.500000 0.747640 0.418853 Mg\n0.000000 0.741240 0.087460 Mg\n0.000000 0.258760 0.087460 Mg\n0.000000 0.000000 0.328162 Mg\n0.000000 0.500000 0.323752 Mg\n0.500000 0.752360 0.918853 Mg\n0.500000 0.247640 0.918853 Mg\n0.000000 0.241240 0.587460 Mg\n0.000000 0.758760 0.587460 Mg\n0.000000 0.500000 0.828162 Mg\n0.000000 0.000000 0.823752 Mg\n0.500000 0.000000 0.165822 Zn\n0.500000 0.500000 0.665822 Zn\n0.500000 0.500000 0.169634 Mo\n0.500000 0.000000 0.669634 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Mo"
],
"chemical_system": "Mg-Mo-Zn",
"density": 3.2649735192559954,
"density_atomic": 0.05120696432354293,
"volume": 312.4574989235172,
"volume_molar": 11.760394000218557,
"formula_full": "Mg12 Zn2 Mo2",
"formula_reduced": "Mg6ZnMo",
"formula_anonymous": "ABC6",
"energy": -40.4641465,
"energy_per_atom": -2.52900915625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.4641465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.276000Z",
"spacegroup": 38
},
{
"id": "mp-23598",
"created_at": "2022-09-04T14:39:06.427638Z",
"structure_string": "S8 I8 O24 F8\n1.0\n5.720449 0.000000 0.000000\n0.000000 12.506801 0.000000\n0.000000 0.000000 13.712734\nS I O F\n8 8 24 8\ndirect\n0.840851 0.899826 0.990926 S\n0.340851 0.600174 0.009074 S\n0.159149 0.399826 0.509074 S\n0.659149 0.100174 0.490926 S\n0.540836 0.677559 0.669075 S\n0.040836 0.822441 0.330925 S\n0.459164 0.177559 0.830925 S\n0.959164 0.322441 0.169075 S\n0.044607 0.951684 0.657740 I\n0.544607 0.548316 0.342260 I\n0.955393 0.451684 0.842260 I\n0.455393 0.048316 0.157740 I\n0.197867 0.824102 0.803096 I\n0.697867 0.675898 0.196904 I\n0.802133 0.324102 0.696904 I\n0.302133 0.175898 0.303096 I\n0.095310 0.409271 0.205932 O\n0.099060 0.575831 0.984167 O\n0.400940 0.424169 0.484167 O\n0.900940 0.075831 0.515833 O\n0.404690 0.590729 0.705932 O\n0.904690 0.909271 0.294068 O\n0.595310 0.090729 0.794068 O\n0.599060 0.924169 0.015833 O\n0.970377 0.830564 0.054907 O\n0.470377 0.669436 0.945093 O\n0.029623 0.330564 0.445093 O\n0.529623 0.169436 0.554907 O\n0.856869 0.872235 0.885034 O\n0.356869 0.627765 0.114966 O\n0.143131 0.372235 0.614966 O\n0.643131 0.127765 0.385034 O\n0.716433 0.333453 0.146907 O\n0.216433 0.166547 0.853093 O\n0.283567 0.833453 0.353093 O\n0.783567 0.666547 0.646907 O\n0.986695 0.217626 0.229791 O\n0.486695 0.282374 0.770209 O\n0.013305 0.717626 0.270209 O\n0.513305 0.782374 0.729791 O\n0.971860 0.012575 0.996156 F\n0.584014 0.213713 0.929937 F\n0.915986 0.786287 0.429937 F\n0.415986 0.713713 0.570063 F\n0.528140 0.987425 0.496156 F\n0.028140 0.512575 0.503844 F\n0.471860 0.487425 0.003844 F\n0.084014 0.286287 0.070063 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"S",
"I",
"O",
"F"
],
"chemical_system": "F-I-O-S",
"density": 3.0597216088462065,
"density_atomic": 0.0489261258391063,
"volume": 981.070934531954,
"volume_molar": 12.308640131867023,
"formula_full": "S8 I8 O24 F8",
"formula_reduced": "SIO3F",
"formula_anonymous": "ABCD3",
"energy": -251.23289112000003,
"energy_per_atom": -5.234018565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.04889112,
"band_gap": 1.9298,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.275000Z",
"spacegroup": 19
},
{
"id": "mp-862853",
"created_at": "2022-09-04T14:39:48.363163Z",
"structure_string": "Pa2 P6\n1.0\n2.778835 -4.813083 0.000000\n2.778835 4.813083 0.000000\n0.000000 0.000000 5.462049\nPa P\n2 6\ndirect\n0.333333 0.666667 0.750000 Pa\n0.666667 0.333333 0.250000 Pa\n0.189879 0.379758 0.250000 P\n0.620242 0.810121 0.250000 P\n0.189879 0.810121 0.250000 P\n0.810121 0.620242 0.750000 P\n0.379758 0.189879 0.750000 P\n0.810121 0.189879 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"P"
],
"chemical_system": "P-Pa",
"density": 7.363681323947065,
"density_atomic": 0.05475430719123788,
"volume": 146.10722718230664,
"volume_molar": 10.998478601814359,
"formula_full": "Pa2 P6",
"formula_reduced": "PaP3",
"formula_anonymous": "AB3",
"energy": -57.1043101,
"energy_per_atom": -7.1380387625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.1043101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.271000Z",
"spacegroup": 194
},
{
"id": "mp-1216561",
"created_at": "2022-09-04T14:39:14.149034Z",
"structure_string": "Tm2 Ge3\n1.0\n-2.193931 -3.791125 0.000000\n-4.378515 -0.005388 0.000000\n0.000000 0.000000 -6.930204\nTm Ge\n2 3\ndirect\n0.000128 0.000248 0.020178 Tm\n0.000128 0.000248 0.479822 Tm\n0.666362 0.666101 0.750000 Ge\n0.332803 0.332629 0.250000 Ge\n0.333779 0.334073 0.750000 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Tm",
"Ge"
],
"chemical_system": "Ge-Tm",
"density": 8.028363138107299,
"density_atomic": 0.043494908464254696,
"volume": 114.95598396555167,
"volume_molar": 13.845622332897104,
"formula_full": "Tm2 Ge3",
"formula_reduced": "Tm2Ge3",
"formula_anonymous": "A2B3",
"energy": -25.04343101,
"energy_per_atom": -5.008686202,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.04343101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008011,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.271000Z",
"spacegroup": 187
},
{
"id": "mp-1199234",
"created_at": "2022-09-04T14:39:10.946931Z",
"structure_string": "Tl4 Mo30 Se38\n1.0\n19.693877 -4.940323 0.000000\n19.693877 4.940323 0.000000\n18.454568 0.000000 8.466669\nTl Mo Se\n4 30 38\ndirect\n0.385113 0.385113 0.385113 Tl\n0.885113 0.885113 0.885113 Tl\n0.614887 0.614887 0.614887 Tl\n0.114887 0.114887 0.114887 Tl\n0.313894 0.502262 0.625193 Mo\n0.625193 0.313894 0.502262 Mo\n0.502262 0.625193 0.313894 Mo\n0.125193 0.002262 0.813894 Mo\n0.813894 0.125193 0.002262 Mo\n0.002262 0.813894 0.125193 Mo\n0.686106 0.497738 0.374807 Mo\n0.374807 0.686106 0.497738 Mo\n0.497738 0.374807 0.686106 Mo\n0.874807 0.997738 0.186106 Mo\n0.186106 0.874807 0.997738 Mo\n0.997738 0.186106 0.874807 Mo\n0.139987 0.277598 0.449996 Mo\n0.449996 0.139987 0.277598 Mo\n0.277598 0.449996 0.139987 Mo\n0.949996 0.777598 0.639987 Mo\n0.639987 0.949996 0.777598 Mo\n0.777598 0.639987 0.949996 Mo\n0.860013 0.722402 0.550004 Mo\n0.550004 0.860013 0.722402 Mo\n0.722402 0.550004 0.860013 Mo\n0.050004 0.222402 0.360013 Mo\n0.360013 0.050004 0.222402 Mo\n0.222402 0.360013 0.050004 Mo\n0.092292 0.407708 0.250000 Mo\n0.250000 0.092292 0.407708 Mo\n0.407708 0.250000 0.092292 Mo\n0.750000 0.907708 0.592292 Mo\n0.592292 0.750000 0.907708 Mo\n0.907708 0.592292 0.750000 Mo\n0.445423 0.198687 0.806021 Se\n0.806021 0.445423 0.198687 Se\n0.198687 0.806021 0.445423 Se\n0.306021 0.698687 0.945423 Se\n0.945423 0.306021 0.698687 Se\n0.698687 0.945423 0.306021 Se\n0.554577 0.801313 0.193979 Se\n0.193979 0.554577 0.801313 Se\n0.801313 0.193979 0.554577 Se\n0.693979 0.301313 0.054577 Se\n0.054577 0.693979 0.301313 Se\n0.301313 0.054577 0.693979 Se\n0.967667 0.578788 0.310736 Se\n0.310736 0.967667 0.578788 Se\n0.578788 0.310736 0.967667 Se\n0.810736 0.078788 0.467667 Se\n0.467667 0.810736 0.078788 Se\n0.078788 0.467667 0.810736 Se\n0.032333 0.421212 0.689264 Se\n0.689264 0.032333 0.421212 Se\n0.421212 0.689264 0.032333 Se\n0.189264 0.921212 0.532333 Se\n0.532333 0.189264 0.921212 Se\n0.921212 0.532333 0.189264 Se\n0.554373 0.945627 0.250000 Se\n0.250000 0.554373 0.945627 Se\n0.945627 0.250000 0.554373 Se\n0.750000 0.445627 0.054373 Se\n0.054373 0.750000 0.445627 Se\n0.445627 0.054373 0.750000 Se\n0.445598 0.445598 0.445598 Se\n0.945598 0.945598 0.945598 Se\n0.554402 0.554402 0.554402 Se\n0.054402 0.054402 0.054402 Se\n0.324049 0.324049 0.324049 Se\n0.824049 0.824049 0.824049 Se\n0.675951 0.675951 0.675951 Se\n0.175951 0.175951 0.175951 Se\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Tl",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Tl",
"density": 6.749152285747581,
"density_atomic": 0.043702205396380325,
"volume": 1647.5141093443185,
"volume_molar": 13.779947042440998,
"formula_full": "Tl4 Mo30 Se38",
"formula_reduced": "Tl2Mo15Se19",
"formula_anonymous": "A2B15C19",
"energy": -522.56619465,
"energy_per_atom": -7.2578638145833345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -504.63019465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1899746,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.270000Z",
"spacegroup": 167
},
{
"id": "mp-1239190",
"created_at": "2022-09-04T14:39:47.526402Z",
"structure_string": "Ta2 Cr6 Ag4 S16\n1.0\n7.236216 0.000000 0.000000\n0.000000 7.336511 0.000000\n0.000000 0.000000 10.295410\nTa Cr Ag S\n2 6 4 16\ndirect\n0.500000 0.791065 0.250000 Ta\n0.500000 0.208935 0.750000 Ta\n0.734876 0.000000 0.500000 Cr\n0.741121 0.500000 0.500000 Cr\n0.258879 0.500000 0.000000 Cr\n0.000000 0.759273 0.250000 Cr\n0.265124 0.000000 0.000000 Cr\n0.000000 0.240727 0.750000 Cr\n0.774487 0.717879 0.881383 Ag\n0.225513 0.282121 0.381383 Ag\n0.225513 0.717879 0.618617 Ag\n0.774487 0.282121 0.118617 Ag\n0.757475 0.999008 0.262338 S\n0.513638 0.748635 0.486440 S\n0.748385 0.543215 0.264666 S\n0.486362 0.251365 0.986440 S\n0.251615 0.543215 0.235334 S\n0.047199 0.754507 0.017479 S\n0.242525 0.999008 0.237662 S\n0.486362 0.748635 0.013560 S\n0.251615 0.456785 0.764666 S\n0.047199 0.245493 0.982521 S\n0.242525 0.000992 0.762338 S\n0.952801 0.754507 0.482521 S\n0.757475 0.000992 0.737662 S\n0.513638 0.251365 0.513560 S\n0.748385 0.456785 0.735334 S\n0.952801 0.245493 0.517479 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ta",
"density": 4.916841894952342,
"density_atomic": 0.05122869465118053,
"volume": 546.5686797341567,
"volume_molar": 11.755405444165897,
"formula_full": "Ta2 Cr6 Ag4 S16",
"formula_reduced": "TaCr3(AgS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -184.87482535,
"energy_per_atom": -6.602672333928572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.82682535,
"band_gap": 0.1773999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.0019974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.269000Z",
"spacegroup": 17
},
{
"id": "mp-1302892",
"created_at": "2022-09-04T14:39:38.804058Z",
"structure_string": "Li4 V6 Cr2 O16\n1.0\n-0.050164 -3.461985 4.862864\n6.005235 6.912055 4.792554\n-2.964957 5.150655 0.000770\nLi V Cr O\n4 6 2 16\ndirect\n0.936555 0.187129 0.870059 Li\n0.436063 0.687139 0.878787 Li\n0.563931 0.312866 0.121215 Li\n0.063438 0.812869 0.129960 Li\n0.500016 0.999978 0.999990 V\n0.500021 0.999954 0.500091 V\n0.500167 0.500048 0.500031 V\n0.999948 0.500049 0.999792 V\n0.999910 0.500018 0.500049 V\n0.999999 0.999938 0.500062 V\n0.749482 0.750413 0.514372 Cr\n0.250493 0.249601 0.485554 Cr\n0.863423 0.393076 0.737049 O\n0.363565 0.893117 0.734305 O\n0.636425 0.106868 0.265731 O\n0.136575 0.606936 0.262944 O\n0.091035 0.617368 0.753366 O\n0.592397 0.116971 0.720794 O\n0.643422 0.613717 0.748744 O\n0.133483 0.116482 0.721740 O\n0.634722 0.617048 0.295681 O\n0.144644 0.113869 0.280805 O\n0.855348 0.886110 0.719226 O\n0.365283 0.382957 0.704314 O\n0.866515 0.883519 0.278266 O\n0.356574 0.386293 0.251243 O\n0.407603 0.883021 0.279213 O\n0.908961 0.382644 0.246617 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.8313956993948697,
"density_atomic": 0.09317188024782222,
"volume": 300.5198556208644,
"volume_molar": 6.463474541870438,
"formula_full": "Li4 V6 Cr2 O16",
"formula_reduced": "Li2V3CrO8",
"formula_anonymous": "AB2C3D8",
"energy": -230.25430688,
"energy_per_atom": -8.223368102857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.06430688,
"band_gap": 1.1102,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0047145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.265000Z",
"spacegroup": 15
},
{
"id": "mp-1078859",
"created_at": "2022-09-04T14:39:40.716737Z",
"structure_string": "Er6 Mn1 Te2\n1.0\n4.099793 -7.101050 0.000000\n4.099793 7.101050 0.000000\n0.000000 0.000000 4.062312\nEr Mn Te\n6 1 2\ndirect\n0.392390 0.000000 0.500000 Er\n0.000000 0.392390 0.500000 Er\n0.607610 0.607610 0.500000 Er\n0.763333 0.000000 0.000000 Er\n0.000000 0.763333 0.000000 Er\n0.236667 0.236667 0.000000 Er\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.000000 Te\n0.666667 0.333333 0.000000 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Te"
],
"chemical_system": "Er-Mn-Te",
"density": 9.222632342261987,
"density_atomic": 0.03805000672423289,
"volume": 236.5308386205402,
"volume_molar": 15.82691115837486,
"formula_full": "Er6 Mn1 Te2",
"formula_reduced": "Er6MnTe2",
"formula_anonymous": "AB2C6",
"energy": -48.91629414,
"energy_per_atom": -5.435143793333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.07229414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0343532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.261000Z",
"spacegroup": 189
},
{
"id": "mp-1225681",
"created_at": "2022-09-04T14:39:48.079116Z",
"structure_string": "Dy1 S3 N3\n1.0\n0.000000 -4.187615 0.000000\n-5.277802 0.000000 2.303414\n-0.869082 0.000000 -6.872799\nDy S N\n1 3 3\ndirect\n0.000000 0.494008 0.350487 Dy\n0.500000 0.329979 0.552862 S\n0.500000 0.712781 0.680141 S\n0.500000 0.812418 0.411409 S\n0.000000 0.705562 0.072328 N\n0.000000 0.915066 0.091344 N\n0.000000 0.126487 0.108030 N\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Dy",
"S",
"N"
],
"chemical_system": "Dy-N-S",
"density": 3.11545107597994,
"density_atomic": 0.04367316254438105,
"volume": 160.2814999460261,
"volume_molar": 13.789110769984308,
"formula_full": "Dy1 S3 N3",
"formula_reduced": "Dy(SN)3",
"formula_anonymous": "AB3C3",
"energy": -47.16413346,
"energy_per_atom": -6.737733351428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.57213346,
"band_gap": 1.6134,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.261000Z",
"spacegroup": 6
},
{
"id": "mp-1337025",
"created_at": "2022-09-04T14:39:20.401052Z",
"structure_string": "Ti4 Fe3 O12\n1.0\n-3.740314 3.740314 3.740314\n3.740314 -3.740314 3.740314\n3.740314 3.740314 -3.740314\nTi Fe O\n4 3 12\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.197872 0.889008 0.691136 O\n0.197872 0.506736 0.308864 O\n0.802128 0.493264 0.691136 O\n0.308864 0.197872 0.506736 O\n0.889008 0.691136 0.197872 O\n0.110992 0.308864 0.802128 O\n0.308864 0.802128 0.110992 O\n0.506736 0.308864 0.197872 O\n0.802128 0.110992 0.308864 O\n0.691136 0.197872 0.889008 O\n0.691136 0.802128 0.493264 O\n0.493264 0.691136 0.802128 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.371326101097343,
"density_atomic": 0.0907756612405361,
"volume": 209.30720570191235,
"volume_molar": 6.634091867469425,
"formula_full": "Ti4 Fe3 O12",
"formula_reduced": "Ti4(FeO4)3",
"formula_anonymous": "A3B4C12",
"energy": -166.87689299,
"energy_per_atom": -8.782994367894736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.86489299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.257000Z",
"spacegroup": 204
},
{
"id": "mp-1021512",
"created_at": "2022-09-04T14:39:38.424914Z",
"structure_string": "Lu4 O12\n1.0\n-3.726658 3.726658 3.726658\n3.726658 -3.726658 3.726658\n3.726658 3.726658 -3.726658\nLu O\n4 12\ndirect\n0.500000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.900782 0.683107 0.583889 O\n0.099218 0.316893 0.416111 O\n0.099218 0.683107 0.782325 O\n0.900782 0.316893 0.217675 O\n0.683107 0.583889 0.900782 O\n0.316893 0.416111 0.099218 O\n0.683107 0.782325 0.099218 O\n0.316893 0.217675 0.900782 O\n0.583889 0.900782 0.683107 O\n0.416111 0.099218 0.316893 O\n0.782325 0.099218 0.683107 O\n0.217675 0.900782 0.316893 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"O"
],
"chemical_system": "Lu-O",
"density": 7.153647980191866,
"density_atomic": 0.07728609684218474,
"volume": 207.02300483192195,
"volume_molar": 7.792010472849963,
"formula_full": "Lu4 O12",
"formula_reduced": "LuO3",
"formula_anonymous": "AB3",
"energy": -108.38678452,
"energy_per_atom": -6.7741740325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.45478452,
"band_gap": 1.4362999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.257000Z",
"spacegroup": 204
},
{
"id": "mp-29206",
"created_at": "2022-09-04T14:39:36.728581Z",
"structure_string": "Ba2 Mn2 Sb4\n1.0\n-2.243418 2.243418 12.355266\n2.243418 -2.243418 12.355266\n2.243418 2.243418 -12.355266\nBa Mn Sb\n2 2 4\ndirect\n0.885258 0.885258 0.000000 Ba\n0.114742 0.114742 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.685328 0.685328 0.000000 Sb\n0.314672 0.314672 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 5.818605645977892,
"density_atomic": 0.03216306997328817,
"volume": 248.7324750604995,
"volume_molar": 18.72377470496897,
"formula_full": "Ba2 Mn2 Sb4",
"formula_reduced": "BaMnSb2",
"formula_anonymous": "ABC2",
"energy": -43.06841805,
"energy_per_atom": -5.38355225625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.30041805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.3186086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.257000Z",
"spacegroup": 139
}
]
}