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=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12185",
"results": [
{
"id": "mp-96",
"created_at": "2022-09-04T14:48:02.822061Z",
"structure_string": "S32\n1.0\n13.642061 0.000000 0.000000\n0.000000 9.248054 0.000000\n0.000000 5.934658 9.138989\nS\n32\ndirect\n0.349590 0.367214 0.317765 S\n0.349590 0.632786 0.182235 S\n0.650410 0.632786 0.682235 S\n0.650410 0.367214 0.817765 S\n0.577263 0.215795 0.340501 S\n0.577263 0.784205 0.159499 S\n0.422737 0.784205 0.659499 S\n0.422737 0.215795 0.840501 S\n0.444169 0.266869 0.234889 S\n0.444169 0.733131 0.265111 S\n0.555831 0.733131 0.765111 S\n0.555831 0.266869 0.734889 S\n0.672253 0.417554 0.213923 S\n0.672253 0.582446 0.286077 S\n0.327747 0.582446 0.786077 S\n0.327747 0.417554 0.713923 S\n0.798165 0.917615 0.862385 S\n0.798165 0.082385 0.637615 S\n0.201835 0.082385 0.137615 S\n0.201835 0.917615 0.362385 S\n0.025918 0.765891 0.980284 S\n0.025918 0.234109 0.519716 S\n0.974082 0.234109 0.019716 S\n0.974082 0.765891 0.480284 S\n0.892668 0.715643 0.921421 S\n0.892668 0.284357 0.578579 S\n0.107332 0.284357 0.078579 S\n0.107332 0.715643 0.421421 S\n0.120406 0.867299 0.804470 S\n0.120406 0.132701 0.695530 S\n0.879594 0.132701 0.195530 S\n0.879594 0.867299 0.304470 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.47775290358732,
"density_atomic": 0.02775373771082781,
"volume": 1152.997853241063,
"volume_molar": 21.698485525610952,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -132.36639574,
"energy_per_atom": -4.136449866875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.36639574,
"band_gap": 2.6623,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.243000Z",
"spacegroup": 13
},
{
"id": "mp-1096051",
"created_at": "2022-09-04T14:48:02.824282Z",
"structure_string": "Li1 Cd2 Cu1\n1.0\n-5.376745 5.456442 7.709052\n5.376745 -5.456442 7.709052\n5.376745 5.456442 -7.709052\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.261587 0.261587 Cd\n0.000000 0.738413 0.738413 Cd\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Li",
"density": 0.5420456093005805,
"density_atomic": 0.0044215041988915,
"volume": 904.6695016150445,
"volume_molar": 136.20117700012113,
"formula_full": "Li1 Cd2 Cu1",
"formula_reduced": "LiCd2Cu",
"formula_anonymous": "ABC2",
"energy": -4.45973893,
"energy_per_atom": -1.1149347325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45973893,
"band_gap": 1.3917000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.635000Z",
"spacegroup": 71
},
{
"id": "mp-1224369",
"created_at": "2022-09-04T14:48:04.857302Z",
"structure_string": "Hf1 Ta3 C4\n1.0\n-1.588919 -2.752809 0.000279\n-1.588919 2.752809 -0.000279\n0.000000 0.001152 -11.149817\nHf Ta C\n1 3 4\ndirect\n0.000000 0.000000 0.250000 Hf\n0.000000 0.000000 0.750000 Ta\n0.999990 0.000010 0.997504 Ta\n0.000010 0.999990 0.502496 Ta\n0.666687 0.333313 0.382420 C\n0.666680 0.333320 0.872119 C\n0.333313 0.666687 0.117580 C\n0.333320 0.666680 0.627881 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"C"
],
"chemical_system": "C-Hf-Ta",
"density": 13.098223969345698,
"density_atomic": 0.08201899031549731,
"volume": 97.53838677148916,
"volume_molar": 7.342373683015371,
"formula_full": "Hf1 Ta3 C4",
"formula_reduced": "HfTa3C4",
"formula_anonymous": "AB3C4",
"energy": -84.66902963,
"energy_per_atom": -10.58362870375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.66902963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.346000Z",
"spacegroup": 164
},
{
"id": "mp-1032236",
"created_at": "2022-09-04T14:48:02.012202Z",
"structure_string": "Mg6 Fe1 B1 O8\n1.0\n8.438516 0.000000 0.000000\n0.000000 4.300979 0.000000\n0.000000 0.000000 4.300979\nMg Fe B O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262578 -0.000000 0.500000 Mg\n0.737422 0.000000 0.500000 Mg\n0.262578 0.500000 0.000000 Mg\n0.737422 0.500000 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 B\n0.332493 0.000000 -0.000000 O\n0.667507 -0.000000 0.000000 O\n0.249873 0.500000 0.500000 O\n0.750127 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Mg-O",
"density": 3.6219421718888176,
"density_atomic": 0.10249891314401986,
"volume": 156.09921616943012,
"volume_molar": 5.875321576862351,
"formula_full": "Mg6 Fe1 B1 O8",
"formula_reduced": "Mg6FeBO8",
"formula_anonymous": "ABC6D8",
"energy": -103.08382391,
"energy_per_atom": -6.442738994375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.33182391,
"band_gap": 2.1228000000000007,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.4393025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.950000Z",
"spacegroup": 123
},
{
"id": "mp-974583",
"created_at": "2022-09-04T14:48:02.043637Z",
"structure_string": "Nd1 Sm1 Ir2\n1.0\n0.000000 3.527678 3.527678\n3.527678 0.000000 3.527678\n3.527678 3.527678 0.000000\nNd Sm Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Sm",
"Ir"
],
"chemical_system": "Ir-Nd-Sm",
"density": 12.842367434412784,
"density_atomic": 0.04555784636360983,
"volume": 87.80046291202812,
"volume_molar": 13.21866866123482,
"formula_full": "Nd1 Sm1 Ir2",
"formula_reduced": "NdSmIr2",
"formula_anonymous": "ABC2",
"energy": -29.59325871,
"energy_per_atom": -7.3983146775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.59325871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.679000Z",
"spacegroup": 225
},
{
"id": "mp-1105777",
"created_at": "2022-09-04T14:48:02.067929Z",
"structure_string": "U6 Sb8 Ir6\n1.0\n-4.805936 4.805936 4.805936\n4.805936 -4.805936 4.805936\n4.805936 4.805936 -4.805936\nU Sb Ir\n6 8 6\ndirect\n0.875000 0.250000 0.125000 U\n0.625000 0.750000 0.375000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.675722 0.500000 0.000000 Sb\n0.500000 0.000000 0.675722 Sb\n0.000000 0.675722 0.500000 Sb\n0.824278 0.824278 0.824278 Sb\n0.500000 0.000000 0.175722 Sb\n0.175722 0.500000 0.000000 Sb\n0.000000 0.175722 0.500000 Sb\n0.324278 0.324278 0.324278 Sb\n0.375000 0.250000 0.625000 Ir\n0.125000 0.750000 0.875000 Ir\n0.250000 0.625000 0.375000 Ir\n0.750000 0.875000 0.125000 Ir\n0.625000 0.375000 0.250000 Ir\n0.875000 0.125000 0.750000 Ir\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb-U",
"density": 13.297273888172105,
"density_atomic": 0.04504390720797149,
"volume": 444.01121571577545,
"volume_molar": 13.369490200295619,
"formula_full": "U6 Sb8 Ir6",
"formula_reduced": "U3Sb4Ir3",
"formula_anonymous": "A3B3C4",
"energy": -163.59679516,
"energy_per_atom": -8.179839758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.59679516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9987864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:19.758000Z",
"spacegroup": 220
},
{
"id": "mp-752623",
"created_at": "2022-09-04T14:48:02.069185Z",
"structure_string": "Li6 Co6 Si6 O24\n1.0\n5.514449 -0.000052 0.003991\n-0.000091 9.544593 -0.000001\n0.008833 0.000000 11.244880\nLi Co Si O\n6 6 6 24\ndirect\n0.999680 0.000344 0.167002 Li\n0.499722 0.500321 0.167008 Li\n0.000000 0.000095 0.500003 Li\n0.500001 0.500029 0.500003 Li\n0.000327 0.000351 0.832996 Li\n0.500273 0.500316 0.832988 Li\n0.249787 0.750291 0.166681 Co\n0.750213 0.750292 0.833320 Co\n0.000001 0.500047 0.500000 Co\n0.749787 0.250296 0.166668 Co\n0.250215 0.250297 0.833334 Co\n0.500000 0.000042 0.499998 Co\n0.750869 0.249399 0.666762 Si\n0.250860 0.749420 0.666708 Si\n0.249135 0.249401 0.333252 Si\n0.749138 0.749419 0.333279 Si\n0.499950 0.000301 0.999998 Si\n0.000047 0.500321 0.000000 Si\n0.809290 0.414476 0.085704 O\n0.309262 0.914480 0.085656 O\n0.784658 0.387714 0.581140 O\n0.284669 0.887759 0.581122 O\n0.026665 0.197301 0.246837 O\n0.526655 0.697297 0.246851 O\n0.973337 0.197302 0.753172 O\n0.473335 0.697300 0.753151 O\n0.215348 0.387711 0.418860 O\n0.715331 0.887756 0.418876 O\n0.190711 0.414475 0.914289 O\n0.690732 0.914487 0.914343 O\n0.282492 0.111973 0.419682 O\n0.782496 0.611951 0.419718 O\n0.310288 0.086032 0.914078 O\n0.810265 0.586014 0.914129 O\n0.473807 0.302267 0.247932 O\n0.973788 0.802242 0.247933 O\n0.526183 0.302266 0.752074 O\n0.026217 0.802243 0.752069 O\n0.689706 0.086034 0.085912 O\n0.189748 0.586019 0.085873 O\n0.717506 0.111972 0.580319 O\n0.217505 0.611948 0.580280 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.659046419493512,
"density_atomic": 0.07096352391808444,
"volume": 591.8533590367074,
"volume_molar": 8.486248184280642,
"formula_full": "Li6 Co6 Si6 O24",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy": -302.52071441,
"energy_per_atom": -7.202874152619048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.20471441,
"band_gap": 0.8684999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.033000Z",
"spacegroup": 180
},
{
"id": "mp-1226881",
"created_at": "2022-09-04T14:48:02.193368Z",
"structure_string": "Cs2 Nb8 Ag2 P4 S40\n1.0\n12.951337 0.000000 0.000000\n0.000000 7.896629 0.000000\n0.000000 0.986562 14.948913\nCs Nb Ag P S\n2 8 2 4 40\ndirect\n0.522619 0.999715 0.737606 Cs\n0.022619 0.000285 0.262394 Cs\n0.535066 0.571543 0.499341 Nb\n0.035066 0.428457 0.500659 Nb\n0.464679 0.428552 0.000911 Nb\n0.964679 0.571448 0.999089 Nb\n0.825955 0.564371 0.500692 Nb\n0.325955 0.435629 0.499308 Nb\n0.173829 0.435060 0.999375 Nb\n0.673829 0.564940 0.000625 Nb\n0.500414 0.000031 0.249577 Ag\n0.000414 0.999969 0.750423 Ag\n0.682949 0.870046 0.396746 P\n0.182949 0.129954 0.603254 P\n0.317201 0.130486 0.103045 P\n0.817201 0.869514 0.896955 P\n0.683537 0.022556 0.284030 S\n0.183537 0.977444 0.715970 S\n0.316817 0.977646 0.216273 S\n0.816817 0.022354 0.783727 S\n0.972106 0.654403 0.598710 S\n0.472106 0.345597 0.401290 S\n0.027674 0.345206 0.901199 S\n0.527674 0.654794 0.098801 S\n0.678210 0.375053 0.564843 S\n0.178210 0.624947 0.435157 S\n0.321291 0.624069 0.935178 S\n0.821291 0.375931 0.064822 S\n0.886766 0.332920 0.404496 S\n0.386766 0.667080 0.595504 S\n0.112832 0.666319 0.095559 S\n0.612832 0.333681 0.904441 S\n0.915967 0.419283 0.634827 S\n0.415967 0.580717 0.365173 S\n0.084082 0.580208 0.865085 S\n0.584082 0.419792 0.134915 S\n0.680783 0.610242 0.377201 S\n0.180783 0.389758 0.622799 S\n0.318916 0.389766 0.123125 S\n0.818916 0.610234 0.876875 S\n0.550605 0.897307 0.470774 S\n0.050605 0.102693 0.529226 S\n0.449543 0.102611 0.029868 S\n0.949543 0.897389 0.970132 S\n0.818089 0.892576 0.466730 S\n0.318089 0.107424 0.533270 S\n0.181704 0.106712 0.034100 S\n0.681704 0.893288 0.965900 S\n0.681397 0.608847 0.616734 S\n0.181397 0.391153 0.383266 S\n0.318739 0.389844 0.883667 S\n0.818739 0.610156 0.116333 S\n0.943649 0.566651 0.366274 S\n0.443649 0.433349 0.633726 S\n0.055512 0.432541 0.133420 S\n0.555512 0.567459 0.866580 S\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Cs",
"Nb",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Cs-Nb-P-S",
"density": 2.8579354771811865,
"density_atomic": 0.03662874797714578,
"volume": 1528.8537854185124,
"volume_molar": 16.441022673659138,
"formula_full": "Cs2 Nb8 Ag2 P4 S40",
"formula_reduced": "CsNb4Ag(PS10)2",
"formula_anonymous": "ABC2D4E20",
"energy": -331.79679294,
"energy_per_atom": -5.924942731071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.67679294,
"band_gap": 1.5918,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.896000Z",
"spacegroup": 4
},
{
"id": "mp-1211667",
"created_at": "2022-09-04T14:48:02.253229Z",
"structure_string": "La12 Mn18 Al10\n1.0\n8.300435 0.000000 0.000000\n0.000000 8.300435 0.000000\n-4.150218 -4.150218 11.764523\nLa Mn Al\n12 18 10\ndirect\n0.357728 0.857728 0.380934 La\n0.642272 0.142272 0.619066 La\n0.023206 0.523206 0.380934 La\n0.523206 0.357728 0.380934 La\n0.142272 0.976794 0.619066 La\n0.976794 0.476794 0.619066 La\n0.476794 0.642272 0.619066 La\n0.857728 0.023206 0.380934 La\n0.106659 0.106659 0.213318 La\n0.893341 0.893341 0.786682 La\n0.393341 0.393341 0.786682 La\n0.606659 0.606659 0.213318 La\n0.070266 0.210583 0.000000 Mn\n0.929734 0.789417 0.000000 Mn\n0.789417 0.070266 0.000000 Mn\n0.429734 0.710583 0.000000 Mn\n0.210583 0.929734 0.000000 Mn\n0.570266 0.289417 0.000000 Mn\n0.710583 0.570266 0.000000 Mn\n0.289417 0.429734 0.000000 Mn\n0.227995 0.727995 0.107075 Mn\n0.772005 0.272005 0.892925 Mn\n0.879080 0.379080 0.107075 Mn\n0.379080 0.227995 0.107075 Mn\n0.272005 0.120920 0.892925 Mn\n0.120920 0.620920 0.892925 Mn\n0.620920 0.772005 0.892925 Mn\n0.727995 0.879080 0.107075 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.714380 0.214380 0.186535 Al\n0.285620 0.785620 0.813465 Al\n0.472155 0.972155 0.186535 Al\n0.972155 0.714380 0.186535 Al\n0.785620 0.527845 0.813465 Al\n0.527845 0.027845 0.813465 Al\n0.027845 0.285620 0.813465 Al\n0.214380 0.472155 0.186535 Al\n0.250000 0.250000 0.500000 Al\n0.750000 0.750000 0.500000 Al\n",
"nsites": 40,
"nelements": 3,
"elements": [
"La",
"Mn",
"Al"
],
"chemical_system": "Al-La-Mn",
"density": 5.993533597010154,
"density_atomic": 0.04934963696842616,
"volume": 810.542943316725,
"volume_molar": 12.203009241695048,
"formula_full": "La12 Mn18 Al10",
"formula_reduced": "La6Mn9Al5",
"formula_anonymous": "A5B6C9",
"energy": -268.03558185,
"energy_per_atom": -6.700889546250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.03558185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.1434308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.719000Z",
"spacegroup": 140
},
{
"id": "mp-1189071",
"created_at": "2022-09-04T14:48:02.428812Z",
"structure_string": "Hg5 N1 Cl11\n1.0\n0.024817 0.000000 -6.584468\n-5.464186 -7.428738 2.885271\n-5.464186 7.428738 2.885271\nHg N Cl\n5 1 11\ndirect\n0.500000 0.000000 0.000000 Hg\n0.812952 0.144776 0.484315 Hg\n0.812952 0.484315 0.144776 Hg\n0.187048 0.855224 0.515685 Hg\n0.187048 0.515685 0.855224 Hg\n0.500000 0.500000 0.500000 N\n0.887209 0.147813 0.147813 Cl\n0.112791 0.852187 0.852187 Cl\n0.430239 0.081501 0.331431 Cl\n0.430239 0.331431 0.081501 Cl\n0.569761 0.918499 0.668569 Cl\n0.569761 0.668569 0.918499 Cl\n0.193984 0.201830 0.639504 Cl\n0.193984 0.639504 0.201830 Cl\n0.806016 0.798170 0.360496 Cl\n0.806016 0.360496 0.798170 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Hg",
"N",
"Cl"
],
"chemical_system": "Cl-Hg-N",
"density": 4.37923810541387,
"density_atomic": 0.031865658572646734,
"volume": 533.4896801597155,
"volume_molar": 18.8985291054658,
"formula_full": "Hg5 N1 Cl11",
"formula_reduced": "Hg5NCl11",
"formula_anonymous": "AB5C11",
"energy": -39.69936628,
"energy_per_atom": -2.33525684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.94536628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9931227,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.900000Z",
"spacegroup": 12
},
{
"id": "mp-31560",
"created_at": "2022-09-04T14:48:02.036415Z",
"structure_string": "Li4 Co2 P8 O24\n1.0\n9.288737 0.000000 0.000000\n0.000000 7.566138 0.000000\n0.000000 4.702637 7.244272\nLi Co P O\n4 2 8 24\ndirect\n0.339202 0.218530 0.653411 Li\n0.839202 0.781470 0.846589 Li\n0.160798 0.218530 0.153411 Li\n0.660798 0.781470 0.346589 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.091227 0.544341 0.767782 P\n0.286570 0.785739 0.878475 P\n0.408773 0.544341 0.267782 P\n0.591227 0.455659 0.732218 P\n0.713430 0.214261 0.121525 P\n0.213430 0.785739 0.378475 P\n0.908773 0.455659 0.232218 P\n0.786570 0.214261 0.621525 P\n0.955272 0.647936 0.765612 O\n0.044728 0.352064 0.234388 O\n0.173144 0.898693 0.913706 O\n0.396770 0.931244 0.737762 O\n0.771109 0.364001 0.184389 O\n0.131416 0.608097 0.561832 O\n0.631416 0.391903 0.938168 O\n0.603230 0.068756 0.262238 O\n0.393245 0.307785 0.390758 O\n0.868584 0.391903 0.438168 O\n0.228891 0.635999 0.815611 O\n0.106755 0.307785 0.890758 O\n0.893245 0.692215 0.109242 O\n0.103230 0.931244 0.237762 O\n0.896770 0.068756 0.762238 O\n0.326856 0.898693 0.413706 O\n0.455272 0.352064 0.734388 O\n0.544728 0.647936 0.265612 O\n0.673144 0.101307 0.586294 O\n0.826856 0.101307 0.086294 O\n0.606755 0.692215 0.609242 O\n0.368584 0.608097 0.061832 O\n0.728891 0.364001 0.684389 O\n0.271109 0.635999 0.315611 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.5355452216716734,
"density_atomic": 0.0746376442535468,
"volume": 509.1264653384908,
"volume_molar": 8.06850326028856,
"formula_full": "Li4 Co2 P8 O24",
"formula_reduced": "Li2Co(PO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -279.22665593,
"energy_per_atom": -7.3480698928947366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.46265593,
"band_gap": 2.7707,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0001064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.481000Z",
"spacegroup": 14
},
{
"id": "mp-4117",
"created_at": "2022-09-04T14:48:02.043096Z",
"structure_string": "Li4 Si4 O10\n1.0\n2.943839 -7.399503 0.000000\n2.943839 7.399503 0.000000\n0.000000 0.000000 4.842834\nLi Si O\n4 4 10\ndirect\n0.095026 0.210557 0.596548 Li\n0.210557 0.095026 0.096548 Li\n0.789443 0.904974 0.096548 Li\n0.904974 0.789443 0.596548 Li\n0.196135 0.492629 0.093281 Si\n0.803865 0.507371 0.093281 Si\n0.507371 0.803865 0.593281 Si\n0.492629 0.196135 0.593281 Si\n0.759284 0.902701 0.501032 O\n0.902701 0.759284 0.001032 O\n0.500000 0.000000 0.537193 O\n0.240716 0.097299 0.501032 O\n0.000000 0.500000 0.037193 O\n0.545668 0.270388 0.927087 O\n0.270388 0.545668 0.427087 O\n0.729612 0.454332 0.427087 O\n0.454332 0.729612 0.927087 O\n0.097299 0.240716 0.001032 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si",
"density": 2.361940262130261,
"density_atomic": 0.08531518198705564,
"volume": 210.98237829148667,
"volume_molar": 7.058697666393895,
"formula_full": "Li4 Si4 O10",
"formula_reduced": "Li2Si2O5",
"formula_anonymous": "A2B2C5",
"energy": -133.10299553,
"energy_per_atom": -7.394610862777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.23299552999998,
"band_gap": 5.154,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.963000Z",
"spacegroup": 37
}
]
}