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=11491",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=11489",
"results": [
{
"id": "mp-754048",
"created_at": "2022-09-04T14:46:13.470118Z",
"structure_string": "Li4 Mn4 B4 O16\n1.0\n4.487697 0.000000 0.000000\n0.000000 5.549000 0.000000\n0.000000 0.000000 9.520007\nLi Mn B O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.984941 0.750000 0.228530 Mn\n0.515059 0.750000 0.728530 Mn\n0.484941 0.250000 0.271470 Mn\n0.015059 0.250000 0.771470 Mn\n0.435489 0.750000 0.408694 B\n0.064511 0.750000 0.908694 B\n0.935489 0.250000 0.091306 B\n0.564511 0.250000 0.591306 B\n0.271311 0.541079 0.331340 O\n0.228689 0.541079 0.831340 O\n0.180214 0.750000 0.050984 O\n0.750003 0.750000 0.396580 O\n0.319786 0.750000 0.550984 O\n0.749997 0.750000 0.896580 O\n0.271311 0.958921 0.331340 O\n0.228689 0.958921 0.831340 O\n0.728689 0.041079 0.668660 O\n0.771311 0.041079 0.168660 O\n0.819786 0.250000 0.949016 O\n0.680214 0.250000 0.449016 O\n0.250003 0.250000 0.103420 O\n0.249997 0.250000 0.603420 O\n0.771311 0.458921 0.168660 O\n0.728689 0.458921 0.668660 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.8296830336314662,
"density_atomic": 0.11810886939984797,
"volume": 237.06941013217457,
"volume_molar": 5.098804848950449,
"formula_full": "Li4 Mn4 B4 O16",
"formula_reduced": "LiMnBO4",
"formula_anonymous": "ABCD4",
"energy": -214.49341203,
"energy_per_atom": -7.660479001071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.82941203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9911783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.836000Z",
"spacegroup": 62
},
{
"id": "mp-546279",
"created_at": "2022-09-04T14:46:13.875910Z",
"structure_string": "Sc2 Br2 O2\n1.0\n3.576368 0.000000 0.000000\n0.000000 3.984475 0.000000\n0.000000 0.000000 8.983874\nSc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.103723 Sc\n0.500000 0.000000 0.896277 Sc\n0.500000 0.500000 0.325548 Br\n0.000000 0.000000 0.674452 Br\n0.500000 0.500000 0.969431 O\n0.000000 0.000000 0.030569 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Br",
"O"
],
"chemical_system": "Br-O-Sc",
"density": 3.6541611594729186,
"density_atomic": 0.04686777016845465,
"volume": 128.01974530545147,
"volume_molar": 12.8492154381463,
"formula_full": "Sc2 Br2 O2",
"formula_reduced": "ScBrO",
"formula_anonymous": "ABC",
"energy": -45.00647075,
"energy_per_atom": -7.501078458333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.56447075,
"band_gap": 3.236,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.05e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.952000Z",
"spacegroup": 59
},
{
"id": "mp-1218613",
"created_at": "2022-09-04T14:46:13.465747Z",
"structure_string": "Sr14 Ca4 Al6 O24 F6\n1.0\n-6.743520 0.000000 0.000000\n3.313775 6.514086 0.000000\n-0.234822 -2.557485 -17.306526\nSr Ca Al O F\n14 4 6 24 6\ndirect\n0.165364 0.334690 0.917424 Sr\n0.499799 0.000224 0.250099 Sr\n0.831799 0.668113 0.583990 Sr\n0.833085 0.666512 0.084280 Sr\n0.165438 0.334973 0.416425 Sr\n0.498485 0.001551 0.750813 Sr\n0.390138 0.110390 0.554720 Sr\n0.723141 0.776755 0.888638 Sr\n0.276149 0.888351 0.944301 Sr\n0.607432 0.553528 0.276808 Sr\n0.942446 0.221297 0.610486 Sr\n0.390920 0.445552 0.722749 Sr\n0.724747 0.113165 0.056897 Sr\n0.058115 0.778331 0.388867 Sr\n0.279959 0.220244 0.110086 Ca\n0.615626 0.884027 0.442051 Ca\n0.948868 0.551226 0.775612 Ca\n0.053414 0.446299 0.223290 Ca\n0.666039 0.333921 0.917008 Al\n0.000173 0.000221 0.249955 Al\n0.332789 0.667401 0.583551 Al\n0.330682 0.666719 0.084768 Al\n0.668591 0.333610 0.415627 Al\n0.999327 0.000454 0.750293 Al\n0.495863 0.707204 0.001884 O\n0.835567 0.376235 0.332435 O\n0.164224 0.041749 0.667852 O\n0.304237 0.904124 0.098002 O\n0.638912 0.569145 0.430422 O\n0.971135 0.236615 0.764474 O\n0.547899 0.374592 0.834473 O\n0.882342 0.045444 0.168732 O\n0.214832 0.707966 0.500918 O\n0.925853 0.563152 0.929097 O\n0.255785 0.232572 0.261832 O\n0.592302 0.896801 0.595452 O\n0.499356 0.293388 0.000504 O\n0.832888 0.957888 0.333448 O\n0.165868 0.626431 0.666978 O\n0.693663 0.100443 0.903144 O\n0.027531 0.763077 0.236070 O\n0.360503 0.434010 0.569910 O\n0.449617 0.620788 0.165562 O\n0.789214 0.289352 0.496567 O\n0.121825 0.955892 0.830806 O\n0.075402 0.433927 0.072338 O\n0.412530 0.100794 0.402105 O\n0.743991 0.766963 0.736301 O\n0.325653 0.664269 0.832161 F\n0.666677 0.333612 0.166742 F\n0.992235 0.997323 0.498686 F\n0.005553 0.004508 0.002220 F\n0.333560 0.666563 0.333384 F\n0.672452 0.337624 0.668764 F\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Al",
"O",
"F"
],
"chemical_system": "Al-Ca-F-O-Sr",
"density": 4.470814144580191,
"density_atomic": 0.07103031209524158,
"volume": 760.2388108276035,
"volume_molar": 8.47826875929415,
"formula_full": "Sr14 Ca4 Al6 O24 F6",
"formula_reduced": "Sr7Ca2Al3(O4F)3",
"formula_anonymous": "A2B3C3D7E12",
"energy": -369.95988762,
"energy_per_atom": -6.85110903,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -350.69988762,
"band_gap": 4.1698,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.201000Z",
"spacegroup": 1
},
{
"id": "mp-1215902",
"created_at": "2022-09-04T14:46:13.470246Z",
"structure_string": "Yb6 O14\n1.0\n4.028951 0.000000 0.000000\n0.000000 11.644740 0.000000\n0.000000 3.800474 11.333075\nYb O\n6 14\ndirect\n0.750000 0.082933 0.101116 Yb\n0.250000 0.917067 0.898884 Yb\n0.250000 0.063906 0.365196 Yb\n0.750000 0.638667 0.933454 Yb\n0.750000 0.936094 0.634804 Yb\n0.250000 0.361333 0.066546 Yb\n0.750000 0.007324 0.305770 O\n0.250000 0.706845 0.981687 O\n0.250000 0.992676 0.694230 O\n0.750000 0.293155 0.018313 O\n0.250000 0.272045 0.270388 O\n0.750000 0.727955 0.729612 O\n0.250000 0.155088 0.161647 O\n0.750000 0.844912 0.838353 O\n0.750000 0.084082 0.445824 O\n0.250000 0.553289 0.917996 O\n0.250000 0.915918 0.554176 O\n0.750000 0.446711 0.082004 O\n0.750000 0.018770 0.940016 O\n0.250000 0.981230 0.059984 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 3.942017985569727,
"density_atomic": 0.03761494672729849,
"volume": 531.7035311786125,
"volume_molar": 16.009967536733264,
"formula_full": "Yb6 O14",
"formula_reduced": "Yb3O7",
"formula_anonymous": "A3B7",
"energy": -111.15215897,
"energy_per_atom": -5.5576079485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.53415897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9276924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.675000Z",
"spacegroup": 11
},
{
"id": "mp-1027978",
"created_at": "2022-09-04T14:46:13.472881Z",
"structure_string": "K1 Mg14 Zn1\n1.0\n6.502579 0.015370 0.000000\n-3.237978 5.608342 0.000000\n0.000000 0.000000 10.526018\nK Mg Zn\n1 14 1\ndirect\n0.163855 0.831927 0.125000 K\n0.164235 0.332117 0.625000 Mg\n0.167445 0.833722 0.625000 Mg\n0.659136 0.338117 0.125000 Mg\n0.665676 0.330445 0.625000 Mg\n0.659136 0.821018 0.125000 Mg\n0.665676 0.835230 0.625000 Mg\n0.335502 0.176805 0.384699 Mg\n0.335502 0.176805 0.865301 Mg\n0.335502 0.658698 0.384699 Mg\n0.335502 0.658698 0.865301 Mg\n0.838528 0.169264 0.365145 Mg\n0.838528 0.169264 0.884855 Mg\n0.824009 0.662005 0.388631 Mg\n0.824009 0.662005 0.861369 Mg\n0.187759 0.343879 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Zn"
],
"chemical_system": "K-Mg-Zn",
"density": 1.9213886114720198,
"density_atomic": 0.04162396840645995,
"volume": 384.3939108294353,
"volume_molar": 14.467963989385924,
"formula_full": "K1 Mg14 Zn1",
"formula_reduced": "KMg14Zn",
"formula_anonymous": "ABC14",
"energy": -23.26864957,
"energy_per_atom": -1.454290598125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.26864957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.081000Z",
"spacegroup": 38
},
{
"id": "mp-1079836",
"created_at": "2022-09-04T14:46:13.474834Z",
"structure_string": "Ga1 Si3 C3 N1\n1.0\n3.111661 0.000000 0.000000\n0.000000 5.105624 0.000000\n0.000000 0.023404 5.398897\nGa Si C N\n1 3 3 1\ndirect\n0.500000 0.491467 0.163285 Ga\n0.000000 0.991811 0.337284 Si\n0.000000 0.502628 0.665341 Si\n0.500000 0.998617 0.830872 Si\n0.500000 0.096135 0.169294 C\n0.500000 0.629095 0.815370 C\n0.000000 0.128204 0.664519 C\n0.000000 0.633944 0.354035 N\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Si",
"C",
"N"
],
"chemical_system": "C-Ga-N-Si",
"density": 3.9497724369382987,
"density_atomic": 0.09327040012952025,
"volume": 85.77212051080272,
"volume_molar": 6.456647287496714,
"formula_full": "Ga1 Si3 C3 N1",
"formula_reduced": "GaSi3C3N",
"formula_anonymous": "ABC3D3",
"energy": -57.97519185,
"energy_per_atom": -7.24689898125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.61419185,
"band_gap": 2.5994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.875000Z",
"spacegroup": 6
},
{
"id": "mp-4298",
"created_at": "2022-09-04T14:46:13.478377Z",
"structure_string": "Tm1 Mn6 Sn6\n1.0\n2.721436 -4.713665 0.000000\n2.721436 4.713665 0.000000\n0.000000 0.000000 8.985179\nTm Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.752009 Mn\n0.500000 0.000000 0.247991 Mn\n0.500000 0.500000 0.247991 Mn\n0.000000 0.500000 0.247991 Mn\n0.500000 0.000000 0.752009 Mn\n0.500000 0.500000 0.752009 Mn\n0.666667 0.333333 0.500000 Sn\n0.000000 0.000000 0.332308 Sn\n0.000000 0.000000 0.667692 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Tm",
"density": 8.721998433721984,
"density_atomic": 0.05639359535419455,
"volume": 230.52263148590083,
"volume_molar": 10.678767193643868,
"formula_full": "Tm1 Mn6 Sn6",
"formula_reduced": "Tm(MnSn)6",
"formula_anonymous": "AB6C6",
"energy": -85.25469031,
"energy_per_atom": -6.55805310076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.25469031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.7792407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.784000Z",
"spacegroup": 191
},
{
"id": "mp-1184383",
"created_at": "2022-09-04T14:46:13.484830Z",
"structure_string": "Eu1 Au1 O3\n1.0\n4.109532 0.000000 0.000000\n0.000000 4.109532 0.000000\n0.000000 0.000000 4.109532\nEu Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Au",
"O"
],
"chemical_system": "Au-Eu-O",
"density": 9.496959262589133,
"density_atomic": 0.07204318502177139,
"volume": 69.40281719206341,
"volume_molar": 8.359070685423076,
"formula_full": "Eu1 Au1 O3",
"formula_reduced": "EuAuO3",
"formula_anonymous": "ABC3",
"energy": -35.7855709,
"energy_per_atom": -7.157114180000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.7245709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5049061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.612000Z",
"spacegroup": 221
},
{
"id": "mp-1233104",
"created_at": "2022-09-04T14:46:13.509012Z",
"structure_string": "Ba2 Ca1 Y2 Fe4 O10\n1.0\n3.777534 0.000000 0.000000\n0.000000 9.589994 0.057459\n0.000000 0.074766 8.063094\nBa Ca Y Fe O\n2 1 2 4 10\ndirect\n0.000000 0.023162 0.503620 Ba\n0.000000 0.882105 0.018484 Ba\n0.000000 0.211190 0.955085 Ca\n0.000000 0.527991 0.011776 Y\n0.000000 0.463019 0.478419 Y\n0.499999 0.720664 0.325626 Fe\n0.499999 0.308318 0.732223 Fe\n0.499999 0.300546 0.244133 Fe\n0.499999 0.725633 0.703713 Fe\n0.499999 0.577652 0.521115 O\n0.499999 0.263783 0.487484 O\n0.499999 0.675651 0.955141 O\n0.499999 0.373914 0.004597 O\n0.000000 0.801137 0.693306 O\n0.000000 0.337286 0.230866 O\n0.000000 0.645081 0.256798 O\n0.000000 0.393480 0.751879 O\n0.499999 0.924248 0.279454 O\n0.499999 0.103471 0.846282 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Y",
"Fe",
"O"
],
"chemical_system": "Ba-Ca-Fe-O-Y",
"density": 4.979756286756225,
"density_atomic": 0.06505029788465098,
"volume": 292.08167553192965,
"volume_molar": 9.257668228789095,
"formula_full": "Ba2 Ca1 Y2 Fe4 O10",
"formula_reduced": "Ba2CaY2(Fe2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -148.77930890000002,
"energy_per_atom": -7.830489942105264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.8853089,
"band_gap": 1.2261999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0026761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.867000Z",
"spacegroup": 6
},
{
"id": "mp-1235096",
"created_at": "2022-09-04T14:46:13.519067Z",
"structure_string": "Ba2 Li1 V2 Si4 O14\n1.0\n0.000063 -0.000486 5.509237\n7.329224 -0.000034 0.000086\n-0.000071 8.042746 -2.755314\nBa Li V Si O\n2 1 2 4 14\ndirect\n0.806368 0.750000 0.587728 Ba\n0.172410 0.250000 0.319662 Ba\n0.347182 0.250001 0.669750 Li\n0.120259 0.750000 0.215481 V\n0.912723 0.249987 0.800607 V\n0.415888 0.535768 0.806769 Si\n0.614218 0.480177 0.203362 Si\n0.415784 0.964233 0.806770 Si\n0.614223 0.019823 0.203363 Si\n0.135408 0.441146 0.722217 O\n0.414746 0.562847 0.292365 O\n0.135343 0.058847 0.722216 O\n0.414759 0.937153 0.292350 O\n0.515847 0.523959 0.006842 O\n0.515813 0.976042 0.006840 O\n0.018953 0.750003 0.013125 O\n0.023654 0.250003 0.022516 O\n0.383584 0.750001 0.742147 O\n0.632527 0.249999 0.239915 O\n0.611712 0.441120 0.722221 O\n0.902710 0.562847 0.292322 O\n0.611649 0.058887 0.722220 O\n0.902738 0.937155 0.292337 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Ba-Li-O-Si-V",
"density": 3.680673207381332,
"density_atomic": 0.07082509361388907,
"volume": 324.74365830544576,
"volume_molar": 8.502834874924945,
"formula_full": "Ba2 Li1 V2 Si4 O14",
"formula_reduced": "Ba2LiV2(Si2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -183.02971675,
"energy_per_atom": -7.957813771739131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.01171675,
"band_gap": 0.9260000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0039313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.144000Z",
"spacegroup": 38
},
{
"id": "mp-780238",
"created_at": "2022-09-04T14:46:13.478445Z",
"structure_string": "Na4 Bi20 O32\n1.0\n16.426526 0.000000 0.000000\n0.000000 7.910490 0.000000\n0.000000 7.089524 8.310940\nNa Bi O\n4 20 32\ndirect\n0.484115 0.863633 0.081013 Na\n0.954088 0.386285 0.354210 Na\n0.515885 0.863633 0.581013 Na\n0.045912 0.386285 0.854210 Na\n0.444298 0.509070 0.025261 Bi\n0.204291 0.609152 0.101593 Bi\n0.207887 0.147068 0.106949 Bi\n0.728647 0.678409 0.264241 Bi\n0.958220 0.038908 0.272466 Bi\n0.719251 0.208622 0.282243 Bi\n0.362991 0.772077 0.425224 Bi\n0.347729 0.320640 0.411041 Bi\n0.146218 0.545264 0.453669 Bi\n0.138156 0.081661 0.463277 Bi\n0.555702 0.509070 0.525261 Bi\n0.795709 0.609152 0.601593 Bi\n0.792113 0.147068 0.606949 Bi\n0.271353 0.678409 0.764241 Bi\n0.280749 0.208622 0.782243 Bi\n0.041780 0.038908 0.772466 Bi\n0.652271 0.320640 0.911041 Bi\n0.637009 0.772077 0.925224 Bi\n0.853782 0.545264 0.953669 Bi\n0.861844 0.081661 0.963277 Bi\n0.954259 0.390874 0.124563 O\n0.756795 0.558656 0.107858 O\n0.603516 0.433505 0.048436 O\n0.978100 0.036922 0.079098 O\n0.619737 0.803997 0.104980 O\n0.798967 0.211617 0.105681 O\n0.277337 0.624563 0.274052 O\n0.446085 0.472410 0.237927 O\n0.107085 0.431061 0.309306 O\n0.254834 0.275141 0.262212 O\n0.495699 0.824850 0.382144 O\n0.089013 0.025010 0.303683 O\n0.673527 0.697916 0.442686 O\n0.685992 0.333712 0.424657 O\n0.841449 0.470708 0.463710 O\n0.829213 0.111344 0.429413 O\n0.243205 0.558656 0.607858 O\n0.045741 0.390874 0.624563 O\n0.380263 0.803997 0.604980 O\n0.396484 0.433505 0.548436 O\n0.021900 0.036922 0.579098 O\n0.201033 0.211617 0.605681 O\n0.722663 0.624563 0.774052 O\n0.553915 0.472410 0.737927 O\n0.892915 0.431061 0.809306 O\n0.745166 0.275141 0.762212 O\n0.504301 0.824850 0.882144 O\n0.910987 0.025010 0.803683 O\n0.326473 0.697916 0.942686 O\n0.314008 0.333712 0.924657 O\n0.158551 0.470708 0.963710 O\n0.170787 0.111344 0.929413 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Na",
"Bi",
"O"
],
"chemical_system": "Bi-Na-O",
"density": 7.355292773208839,
"density_atomic": 0.05185477673910082,
"volume": 1079.9390822132978,
"volume_molar": 11.613473509488735,
"formula_full": "Na4 Bi20 O32",
"formula_reduced": "NaBi5O8",
"formula_anonymous": "AB5C8",
"energy": -331.21127093,
"energy_per_atom": -5.914486980892858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.22727093,
"band_gap": 2.3006999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.033000Z",
"spacegroup": 7
},
{
"id": "mp-1188588",
"created_at": "2022-09-04T14:46:13.499848Z",
"structure_string": "Pr2 B8 Os8\n1.0\n0.000000 0.000000 4.009253\n7.630213 0.000000 0.000000\n0.000000 7.630213 0.000000\nPr B Os\n2 8 8\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.360803 0.915338 0.033001 B\n0.360803 0.584662 0.466999 B\n0.860803 0.533001 0.084662 B\n0.860803 0.966999 0.415338 B\n0.639197 0.084662 0.966999 B\n0.639197 0.415338 0.533001 B\n0.139197 0.466999 0.915338 B\n0.139197 0.033001 0.584662 B\n0.138545 0.395922 0.643674 Os\n0.138545 0.104078 0.856326 Os\n0.638545 0.143674 0.604078 Os\n0.638545 0.356326 0.895922 Os\n0.861455 0.604078 0.356326 Os\n0.861455 0.895922 0.143674 Os\n0.361455 0.856326 0.395922 Os\n0.361455 0.643674 0.104078 Os\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"B",
"Os"
],
"chemical_system": "B-Os-Pr",
"density": 13.446431463186789,
"density_atomic": 0.07711444176437686,
"volume": 233.41931275336196,
"volume_molar": 7.809355319462272,
"formula_full": "Pr2 B8 Os8",
"formula_reduced": "Pr(BOs)4",
"formula_anonymous": "AB4C4",
"energy": -159.56710255,
"energy_per_atom": -8.864839030555554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.56710255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.072000Z",
"spacegroup": 86
}
]
}