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=-formula_anonymous&page=10142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10140",
"results": [
{
"id": "mp-653995",
"created_at": "2022-09-04T14:44:11.053685Z",
"structure_string": "As16 Pb32 Cl24 O44\n1.0\n11.446722 0.000000 0.000000\n0.000000 6.776067 0.000000\n0.000000 2.469013 35.107261\nAs Pb Cl O\n16 32 24 44\ndirect\n0.377153 0.301292 0.846124 As\n0.628519 0.276101 0.445627 As\n0.120013 0.266140 0.443318 As\n0.620013 0.733860 0.056682 As\n0.372076 0.682911 0.652739 As\n0.371481 0.723899 0.554373 As\n0.872076 0.317089 0.847261 As\n0.379987 0.266140 0.943318 As\n0.877153 0.698708 0.653876 As\n0.127924 0.682911 0.152739 As\n0.871481 0.276101 0.945627 As\n0.128519 0.723899 0.054373 As\n0.122847 0.301292 0.346124 As\n0.879987 0.733860 0.556682 As\n0.627924 0.317089 0.347261 As\n0.622847 0.698708 0.153876 As\n0.870439 0.798395 0.991719 Pb\n0.628045 0.194789 0.014342 Pb\n0.620272 0.715321 0.710484 Pb\n0.382005 0.838702 0.820554 Pb\n0.635775 0.985215 0.911421 Pb\n0.864225 0.985215 0.411421 Pb\n0.920952 0.062705 0.095801 Pb\n0.129561 0.201605 0.008281 Pb\n0.382536 0.173784 0.669987 Pb\n0.371955 0.805211 0.985658 Pb\n0.871955 0.194789 0.514342 Pb\n0.420952 0.937295 0.404199 Pb\n0.871073 0.284087 0.287705 Pb\n0.617464 0.826216 0.330013 Pb\n0.882536 0.826216 0.830013 Pb\n0.117464 0.173784 0.169987 Pb\n0.117995 0.838702 0.320554 Pb\n0.128927 0.715913 0.712295 Pb\n0.079048 0.937295 0.904199 Pb\n0.364225 0.014785 0.088579 Pb\n0.120272 0.284679 0.789516 Pb\n0.135775 0.014785 0.588579 Pb\n0.379728 0.284679 0.289516 Pb\n0.879728 0.715321 0.210484 Pb\n0.882005 0.161298 0.679446 Pb\n0.617995 0.161298 0.179446 Pb\n0.629561 0.798395 0.491719 Pb\n0.370439 0.201605 0.508281 Pb\n0.628927 0.284087 0.787705 Pb\n0.128045 0.805211 0.485658 Pb\n0.579048 0.062705 0.595801 Pb\n0.371073 0.715913 0.212295 Pb\n0.126333 0.625404 0.964074 Cl\n0.870103 0.644779 0.319011 Cl\n0.139055 0.359939 0.541591 Cl\n0.129897 0.355221 0.680989 Cl\n0.629897 0.644779 0.819011 Cl\n0.119855 0.528371 0.248299 Cl\n0.114416 0.726506 0.393597 Cl\n0.865640 0.345573 0.182114 Cl\n0.360945 0.359939 0.041591 Cl\n0.370103 0.355221 0.180989 Cl\n0.873667 0.374596 0.035926 Cl\n0.880145 0.471629 0.751701 Cl\n0.639055 0.640061 0.958409 Cl\n0.860945 0.640061 0.458409 Cl\n0.385584 0.726506 0.893597 Cl\n0.134360 0.654427 0.817886 Cl\n0.885584 0.273494 0.606403 Cl\n0.380145 0.528371 0.748299 Cl\n0.614416 0.273494 0.106403 Cl\n0.373667 0.625404 0.464074 Cl\n0.626333 0.374596 0.535926 Cl\n0.634360 0.345573 0.682114 Cl\n0.365640 0.654427 0.317886 Cl\n0.619855 0.471629 0.251701 Cl\n0.001874 0.833919 0.162831 O\n0.998649 0.098892 0.457261 O\n0.868612 0.811110 0.605616 O\n0.502928 0.853643 0.168515 O\n0.585677 0.792965 0.389679 O\n0.730298 0.900036 0.036890 O\n0.756402 0.104228 0.961915 O\n0.490023 0.896559 0.543344 O\n0.914323 0.792965 0.889679 O\n0.498126 0.833919 0.662831 O\n0.769702 0.900036 0.536890 O\n0.843608 0.216431 0.895951 O\n0.233482 0.143899 0.326740 O\n0.497072 0.146357 0.831485 O\n0.734257 0.154635 0.328498 O\n0.131388 0.188890 0.394384 O\n0.990023 0.103441 0.956656 O\n0.002928 0.146357 0.331485 O\n0.509977 0.103441 0.456656 O\n0.243598 0.895772 0.038085 O\n0.997072 0.853643 0.668515 O\n0.156392 0.783569 0.104049 O\n0.265743 0.845365 0.671502 O\n0.766518 0.856101 0.673260 O\n0.743598 0.104228 0.461915 O\n0.230298 0.099964 0.463110 O\n0.998126 0.166081 0.837169 O\n0.631388 0.811110 0.105616 O\n0.266518 0.143899 0.826740 O\n0.009977 0.896559 0.043344 O\n0.765743 0.154635 0.828498 O\n0.085677 0.207035 0.110321 O\n0.256402 0.895772 0.538085 O\n0.001351 0.901108 0.542739 O\n0.414323 0.207035 0.610321 O\n0.656392 0.216431 0.395951 O\n0.269702 0.099964 0.963110 O\n0.733482 0.856101 0.173260 O\n0.501351 0.098892 0.957261 O\n0.501874 0.166081 0.337169 O\n0.498649 0.901108 0.042739 O\n0.234257 0.845365 0.171502 O\n0.343608 0.783569 0.604049 O\n0.368612 0.188890 0.894384 O\n",
"nsites": 116,
"nelements": 4,
"elements": [
"As",
"Pb",
"Cl",
"O"
],
"chemical_system": "As-Cl-O-Pb",
"density": 5.7224356060553605,
"density_atomic": 0.04259927562279475,
"volume": 2723.050998029852,
"volume_molar": 14.136721040339873,
"formula_full": "As16 Pb32 Cl24 O44",
"formula_reduced": "As4Pb8Cl6O11",
"formula_anonymous": "A4B6C8D11",
"energy": -638.1905836000001,
"energy_per_atom": -5.501642962068966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -593.2265836,
"band_gap": 2.1775,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0227418,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.101000Z",
"spacegroup": 14
},
{
"id": "mp-1226372",
"created_at": "2022-09-04T14:42:26.349638Z",
"structure_string": "K4 Re6 Se8 O11\n1.0\n8.331413 0.000000 0.000000\n-3.089972 8.335818 0.000000\n-2.691316 -1.027428 9.169616\nK Re Se O\n4 6 8 11\ndirect\n0.727975 0.341100 0.353749 K\n0.253415 0.623752 0.656997 K\n0.542234 0.825402 0.378809 K\n0.436330 0.170115 0.626053 K\n0.176276 0.273764 0.025812 Re\n0.862033 0.785081 0.005762 Re\n0.207507 0.015182 0.166281 Re\n0.790148 0.010072 0.855586 Re\n0.086148 0.954330 0.855859 Re\n0.912401 0.069678 0.178025 Re\n0.398270 0.130749 0.000181 Se\n0.594962 0.880867 0.018511 Se\n0.862997 0.272205 0.002276 Se\n0.153330 0.749662 0.025918 Se\n0.021400 0.192196 0.747161 Se\n0.986014 0.821119 0.276324 Se\n0.196758 0.315106 0.292399 Se\n0.678295 0.557498 0.611765 Se\n0.753834 0.397978 0.632635 O\n0.177127 0.636164 0.351739 O\n0.348932 0.453642 0.022070 O\n0.709860 0.588676 0.934602 O\n0.674507 0.599502 0.436015 O\n0.451516 0.469012 0.598091 O\n0.395029 0.079874 0.335138 O\n0.605639 0.915564 0.697392 O\n0.084877 0.846079 0.699417 O\n0.830376 0.070156 0.333400 O\n0.082809 0.473475 0.341035 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"K",
"Re",
"Se",
"O"
],
"chemical_system": "K-O-Re-Se",
"density": 5.427096448747614,
"density_atomic": 0.045538630050762904,
"volume": 636.8219678034466,
"volume_molar": 13.224246652319117,
"formula_full": "K4 Re6 Se8 O11",
"formula_reduced": "K4Re6Se8O11",
"formula_anonymous": "A4B6C8D11",
"energy": -190.75215438,
"energy_per_atom": -6.5776604958620695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.20515438,
"band_gap": 0.1226,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.957000Z",
"spacegroup": 1
},
{
"id": "mp-1212804",
"created_at": "2022-09-04T14:46:15.526270Z",
"structure_string": "H28 C16 N36 O24\n1.0\n0.000000 -7.367026 0.000000\n-9.568878 0.000000 1.075413\n-0.529777 0.000000 -17.078409\nH C N O\n28 16 36 24\ndirect\n0.717283 0.413207 0.973968 H\n0.217283 0.586793 0.026032 H\n0.380671 0.813945 0.728134 H\n0.880671 0.186055 0.271866 H\n0.974314 0.693927 0.644303 H\n0.474314 0.306073 0.355697 H\n0.572836 0.407955 0.286936 H\n0.072836 0.592045 0.713064 H\n0.588898 0.852173 0.775415 H\n0.088898 0.147827 0.224585 H\n0.833577 0.565665 0.952085 H\n0.333577 0.434335 0.047915 H\n0.931664 0.413710 0.472120 H\n0.431664 0.586290 0.527880 H\n0.560739 0.145423 0.725171 H\n0.060739 0.854577 0.274829 H\n0.717044 0.706322 0.859579 H\n0.217044 0.293678 0.140421 H\n0.688090 0.706414 0.152326 H\n0.188090 0.293586 0.847674 H\n0.817448 0.568867 0.452841 H\n0.317448 0.431133 0.547159 H\n0.767926 0.184899 0.773064 H\n0.267926 0.815101 0.226936 H\n0.588188 0.603822 0.220190 H\n0.088188 0.396178 0.779810 H\n0.941668 0.716267 0.364904 H\n0.441668 0.283733 0.635096 H\n0.553211 0.942748 0.405511 C\n0.053211 0.057252 0.594489 C\n0.684017 0.324718 0.696840 C\n0.184017 0.675282 0.303160 C\n0.092994 0.933564 0.901920 C\n0.592994 0.066436 0.098080 C\n0.828316 0.521847 0.665547 C\n0.328316 0.478153 0.334453 C\n0.592766 0.525447 0.893915 C\n0.092766 0.474553 0.106085 C\n0.559583 0.469810 0.604595 C\n0.059583 0.530190 0.395405 C\n0.327543 0.470863 0.830809 C\n0.827543 0.529137 0.169191 C\n0.469437 0.669794 0.800980 C\n0.969437 0.330206 0.199020 C\n0.483028 0.786098 0.764066 N\n0.983028 0.213902 0.235934 N\n0.606983 0.641254 0.851922 N\n0.106983 0.358746 0.148078 N\n0.666679 0.211513 0.736304 N\n0.166679 0.788487 0.263696 N\n0.543891 0.808687 0.431260 N\n0.043891 0.191313 0.568740 N\n0.913082 0.957498 0.567935 N\n0.413082 0.042502 0.432065 N\n0.966943 0.980984 0.850782 N\n0.466943 0.019016 0.149218 N\n0.969835 0.608313 0.675125 N\n0.469835 0.391687 0.324875 N\n0.107295 0.800590 0.926139 N\n0.607295 0.199410 0.073861 N\n0.725113 0.963503 0.064497 N\n0.225113 0.036497 0.935503 N\n0.825612 0.409333 0.708951 N\n0.325612 0.590667 0.291049 N\n0.924700 0.502965 0.443770 N\n0.424700 0.497036 0.556230 N\n0.548745 0.351267 0.644441 N\n0.048745 0.648733 0.355559 N\n0.699825 0.555574 0.613821 N\n0.199825 0.444425 0.386179 N\n0.690497 0.619202 0.181706 N\n0.190497 0.380798 0.818294 N\n0.724494 0.501200 0.944521 N\n0.224494 0.498800 0.055479 N\n0.688871 0.988826 0.357159 N\n0.188871 0.011174 0.642841 N\n0.452161 0.440050 0.884943 N\n0.952161 0.559950 0.115057 N\n0.329117 0.584164 0.788137 N\n0.829117 0.415836 0.211863 N\n0.848364 0.901560 0.818879 O\n0.348364 0.098440 0.181121 O\n0.694941 0.911961 0.997094 O\n0.194941 0.088039 0.002906 O\n0.978598 0.108826 0.837839 O\n0.478598 0.891174 0.162161 O\n0.995845 0.706808 0.903566 O\n0.495845 0.293192 0.096434 O\n0.855221 0.935363 0.106178 O\n0.355221 0.064637 0.893822 O\n0.828440 0.916697 0.341739 O\n0.328440 0.083303 0.658261 O\n0.164081 0.895286 0.671033 O\n0.664081 0.104714 0.328967 O\n0.239639 0.779026 0.970732 O\n0.739639 0.220974 0.029268 O\n0.752730 0.992892 0.578484 O\n0.252730 0.007108 0.421516 O\n0.653149 0.716206 0.404633 O\n0.153149 0.283794 0.595367 O\n0.423111 0.785734 0.480439 O\n0.923111 0.214266 0.519561 O\n0.963796 0.843485 0.536300 O\n0.463796 0.156515 0.463700 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.5237715858486538,
"density_atomic": 0.08608376994578071,
"volume": 1208.1255277911703,
"volume_molar": 6.995674984718962,
"formula_full": "H28 C16 N36 O24",
"formula_reduced": "H7C4(N3O2)3",
"formula_anonymous": "A4B6C7D9",
"energy": -712.6435384800001,
"energy_per_atom": -6.8523417161538465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -683.15953848,
"band_gap": 2.3271,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.497000Z",
"spacegroup": 4
},
{
"id": "mp-1212918",
"created_at": "2022-09-04T14:40:24.276168Z",
"structure_string": "H28 C16 N36 O24\n1.0\n5.527519 0.000000 -3.143427\n-5.622848 0.000000 -5.568656\n0.000000 23.578492 0.000000\nH C N O\n28 16 36 24\ndirect\n0.640552 0.581287 0.614135 H\n0.359448 0.418713 0.385865 H\n0.859448 0.918713 0.114135 H\n0.140552 0.081287 0.885865 H\n0.013242 0.496973 0.054346 H\n0.986758 0.503027 0.945654 H\n0.486758 0.003027 0.554346 H\n0.513242 0.996973 0.445654 H\n0.157333 0.804123 0.383354 H\n0.842667 0.195877 0.616646 H\n0.342667 0.695877 0.883354 H\n0.657333 0.304123 0.116646 H\n0.154686 0.565469 0.118014 H\n0.845314 0.434531 0.881986 H\n0.345314 0.934531 0.618014 H\n0.654686 0.065469 0.381986 H\n0.984861 0.747073 0.616098 H\n0.015139 0.252927 0.383902 H\n0.515139 0.752927 0.116098 H\n0.484861 0.247073 0.883902 H\n0.897813 0.651386 0.382195 H\n0.102187 0.348614 0.617805 H\n0.602187 0.848614 0.882195 H\n0.397813 0.151386 0.117805 H\n0.506644 0.502842 0.550289 H\n0.493356 0.497158 0.449711 H\n0.993356 0.997158 0.050289 H\n0.006644 0.002842 0.949711 H\n0.011384 0.743474 0.460555 C\n0.988616 0.256526 0.539445 C\n0.488616 0.756526 0.960555 C\n0.511384 0.243474 0.039445 C\n0.819178 0.657173 0.541841 C\n0.180822 0.342827 0.458159 C\n0.680822 0.842827 0.041841 C\n0.319178 0.157173 0.958159 C\n0.180215 0.843124 0.544200 C\n0.819785 0.156876 0.455800 C\n0.319785 0.656876 0.044200 C\n0.680215 0.343124 0.955800 C\n0.681129 0.624704 0.262796 C\n0.318871 0.375296 0.737204 C\n0.818871 0.875296 0.762796 C\n0.181129 0.124704 0.237204 C\n0.997714 0.748550 0.572381 N\n0.002286 0.251450 0.427619 N\n0.502286 0.751450 0.072381 N\n0.497714 0.248550 0.927619 N\n0.702645 0.662157 0.205069 N\n0.297355 0.337843 0.794931 N\n0.797355 0.837843 0.705069 N\n0.202645 0.162157 0.294931 N\n0.349147 0.933230 0.574947 N\n0.650853 0.066770 0.425053 N\n0.150853 0.566770 0.074947 N\n0.849147 0.433230 0.925053 N\n0.189689 0.845043 0.487770 N\n0.810311 0.154957 0.512230 N\n0.310311 0.654957 0.987770 N\n0.689689 0.345043 0.012230 N\n0.641933 0.575307 0.571030 N\n0.358067 0.424693 0.428970 N\n0.858067 0.924693 0.071030 N\n0.141933 0.075307 0.928970 N\n0.196514 0.963211 0.214655 N\n0.803486 0.036789 0.785345 N\n0.303486 0.536789 0.714655 N\n0.696514 0.463211 0.285345 N\n0.822945 0.649720 0.485542 N\n0.177055 0.350280 0.514458 N\n0.677055 0.850280 0.985542 N\n0.322945 0.149720 0.014458 N\n0.021667 0.735184 0.404148 N\n0.978333 0.264816 0.595852 N\n0.478333 0.764816 0.904148 N\n0.521667 0.235184 0.095852 N\n0.862571 0.748406 0.802221 N\n0.137429 0.251594 0.197779 N\n0.637429 0.751594 0.302221 N\n0.362571 0.248406 0.697779 N\n0.230514 0.959686 0.161710 O\n0.769486 0.040314 0.838290 O\n0.269486 0.540314 0.661710 O\n0.730514 0.459686 0.338290 O\n0.001166 0.804852 0.840036 O\n0.998834 0.195148 0.159964 O\n0.498834 0.695148 0.340036 O\n0.501166 0.304852 0.659964 O\n0.740872 0.908009 0.297762 O\n0.259128 0.091991 0.702238 O\n0.759128 0.591991 0.797762 O\n0.240872 0.408009 0.202238 O\n0.176601 0.832587 0.245219 O\n0.823399 0.167413 0.754781 O\n0.323399 0.667413 0.745219 O\n0.676601 0.332587 0.254781 O\n0.769610 0.564729 0.171959 O\n0.230390 0.435271 0.828041 O\n0.730390 0.935271 0.671959 O\n0.269610 0.064729 0.328041 O\n0.849663 0.702257 0.687846 O\n0.150337 0.297743 0.312154 O\n0.650337 0.797743 0.187846 O\n0.349663 0.202257 0.812154 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.611274611451126,
"density_atomic": 0.09102715542131953,
"volume": 1142.5162031993157,
"volume_molar": 6.615762881006771,
"formula_full": "H28 C16 N36 O24",
"formula_reduced": "H7C4(N3O2)3",
"formula_anonymous": "A4B6C7D9",
"energy": -712.24311436,
"energy_per_atom": -6.848491484230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -682.75911436,
"band_gap": 2.2857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.687000Z",
"spacegroup": 14
},
{
"id": "mp-32384",
"created_at": "2022-09-04T14:39:19.276246Z",
"structure_string": "Li4 Ni7 P6 O24\n1.0\n7.002426 5.139602 0.000000\n-7.002426 5.139602 0.000000\n0.000000 1.830858 6.246197\nLi Ni P O\n4 7 6 24\ndirect\n0.674183 0.454588 0.511716 Li\n0.992029 0.992029 0.502294 Li\n0.454588 0.674183 0.511716 Li\n0.354891 0.354891 0.417560 Li\n0.365388 0.008514 0.184133 Ni\n0.640434 0.003705 0.810320 Ni\n0.008514 0.365388 0.184133 Ni\n0.003705 0.640434 0.810320 Ni\n0.002527 0.002527 0.000475 Ni\n0.682367 0.327803 0.998298 Ni\n0.327803 0.682367 0.998298 Ni\n0.337220 0.337220 0.910501 P\n0.094016 0.723049 0.300898 P\n0.283618 0.922747 0.695491 P\n0.922747 0.283618 0.695491 P\n0.672133 0.672133 0.076608 P\n0.723049 0.094016 0.300898 P\n0.201586 0.201586 0.860373 O\n0.737606 0.280996 0.294570 O\n0.280996 0.737606 0.294570 O\n0.452783 0.452783 0.700867 O\n0.573622 0.754516 0.936119 O\n0.108764 0.910857 0.236423 O\n0.435129 0.258163 0.057252 O\n0.895051 0.092954 0.766240 O\n0.641152 0.964553 0.510512 O\n0.052739 0.352895 0.484045 O\n0.739137 0.280953 0.696987 O\n0.754516 0.573622 0.936119 O\n0.964553 0.641152 0.510512 O\n0.910857 0.108764 0.236423 O\n0.054186 0.623466 0.122657 O\n0.965786 0.384639 0.870597 O\n0.623466 0.054186 0.122657 O\n0.258163 0.435129 0.057252 O\n0.804934 0.804934 0.134463 O\n0.384639 0.965786 0.870597 O\n0.553245 0.553245 0.283537 O\n0.092954 0.895051 0.766240 O\n0.280953 0.739137 0.696987 O\n0.352895 0.052739 0.484045 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.7245863093850105,
"density_atomic": 0.09119271929236357,
"volume": 449.59729590422813,
"volume_molar": 6.603751710367399,
"formula_full": "Li4 Ni7 P6 O24",
"formula_reduced": "Li4Ni7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -291.08347963999995,
"energy_per_atom": -7.099597064390243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -256.80847964,
"band_gap": 3.0377,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.999794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.790000Z",
"spacegroup": 8
},
{
"id": "mp-18012",
"created_at": "2022-09-04T14:40:10.317779Z",
"structure_string": "Na4 Co7 P6 O24\n1.0\n7.282687 5.310166 0.000000\n-7.282687 5.310166 0.000000\n0.000000 1.789038 6.290800\nNa Co P O\n4 7 6 24\ndirect\n0.059433 0.059433 0.479868 Na\n0.676022 0.676022 0.557844 Na\n0.520434 0.291127 0.510865 Na\n0.291127 0.520434 0.510865 Na\n0.996622 0.639505 0.817671 Co\n0.639505 0.996622 0.817671 Co\n0.356890 0.984441 0.184274 Co\n0.984441 0.356890 0.184274 Co\n0.652392 0.337418 0.997947 Co\n0.337418 0.652392 0.997947 Co\n0.994988 0.994988 0.003595 Co\n0.320551 0.320551 0.943419 P\n0.666733 0.666733 0.077405 P\n0.080209 0.714473 0.289722 P\n0.714473 0.080209 0.289722 P\n0.278006 0.903458 0.711378 P\n0.903458 0.278006 0.711378 P\n0.441663 0.441663 0.749460 O\n0.547849 0.547849 0.272888 O\n0.194893 0.194893 0.874152 O\n0.794827 0.794827 0.139597 O\n0.747498 0.575923 0.928163 O\n0.575923 0.747498 0.928163 O\n0.413539 0.237773 0.084576 O\n0.237773 0.413539 0.084576 O\n0.342432 0.016168 0.489859 O\n0.016168 0.342432 0.489859 O\n0.972142 0.649844 0.513019 O\n0.649844 0.972142 0.513019 O\n0.387374 0.966364 0.863741 O\n0.966364 0.387374 0.863741 O\n0.016268 0.606901 0.136264 O\n0.606901 0.016268 0.136264 O\n0.097963 0.888206 0.783720 O\n0.260010 0.719801 0.270620 O\n0.719801 0.260010 0.270620 O\n0.267791 0.723631 0.725574 O\n0.723631 0.267791 0.725574 O\n0.896923 0.104215 0.220042 O\n0.104215 0.896923 0.220042 O\n0.888206 0.097963 0.783720 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Na",
"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.666460291495106,
"density_atomic": 0.08426519697064999,
"volume": 486.55911899524205,
"volume_molar": 7.146652445490091,
"formula_full": "Na4 Co7 P6 O24",
"formula_reduced": "Na4Co7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -299.26298025,
"energy_per_atom": -7.299097079268293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.30898025,
"band_gap": 2.1229,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0012735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.498000Z",
"spacegroup": 8
},
{
"id": "mp-758345",
"created_at": "2022-09-04T14:41:03.874115Z",
"structure_string": "Li4 V7 P6 O24\n1.0\n7.110019 5.374345 0.000000\n-7.110019 5.374345 0.000000\n0.000000 1.938206 6.421679\nLi V P O\n4 7 6 24\ndirect\n0.995958 0.995958 0.491750 Li\n0.630681 0.630681 0.588460 Li\n0.326474 0.546939 0.490146 Li\n0.546939 0.326474 0.490146 Li\n0.356920 0.992770 0.193885 V\n0.992770 0.356920 0.193885 V\n0.996308 0.996308 0.997583 V\n0.673365 0.316610 0.004923 V\n0.316610 0.673365 0.004923 V\n0.637468 0.998023 0.814150 V\n0.998023 0.637468 0.814150 V\n0.279636 0.907604 0.698040 P\n0.907604 0.279636 0.698040 P\n0.663869 0.663869 0.088994 P\n0.325165 0.325165 0.916717 P\n0.716427 0.078415 0.308466 P\n0.078415 0.716427 0.308466 P\n0.949932 0.647174 0.511182 O\n0.647174 0.949932 0.511182 O\n0.940523 0.369673 0.877735 O\n0.369673 0.940523 0.877735 O\n0.793325 0.793325 0.137852 O\n0.569312 0.743386 0.944803 O\n0.743386 0.569312 0.944803 O\n0.896076 0.096776 0.755035 O\n0.096776 0.896076 0.755035 O\n0.268938 0.727137 0.699615 O\n0.727137 0.268938 0.699615 O\n0.550397 0.550397 0.292850 O\n0.439893 0.439893 0.712012 O\n0.717969 0.255858 0.314531 O\n0.255858 0.717969 0.314531 O\n0.900920 0.099428 0.240690 O\n0.099428 0.900920 0.240690 O\n0.197290 0.197290 0.864844 O\n0.623432 0.045565 0.132176 O\n0.045565 0.623432 0.132176 O\n0.244757 0.422676 0.052581 O\n0.422676 0.244757 0.052581 O\n0.363117 0.034885 0.496915 O\n0.034885 0.363117 0.496915 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.228536727331143,
"density_atomic": 0.08354278809718435,
"volume": 490.7664794752263,
"volume_molar": 7.208450779730399,
"formula_full": "Li4 V7 P6 O24",
"formula_reduced": "Li4V7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -326.56328045,
"energy_per_atom": -7.964958059756097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.17528045,
"band_gap": 0.8134999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.0433181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.753000Z",
"spacegroup": 8
},
{
"id": "mp-777610",
"created_at": "2022-09-04T14:41:06.425984Z",
"structure_string": "Li4 Cr7 P6 O24\n1.0\n6.996044 5.873913 0.000000\n-6.996044 5.873913 0.000000\n0.000000 1.557864 6.295592\nLi Cr P O\n4 7 6 24\ndirect\n0.767544 0.767544 0.495099 Li\n0.560810 0.308924 0.548249 Li\n0.308924 0.560810 0.548249 Li\n0.063982 0.063982 0.546839 Li\n0.979247 0.361818 0.181824 Cr\n0.361818 0.979247 0.181824 Cr\n0.626748 0.378339 0.989831 Cr\n0.378339 0.626748 0.989831 Cr\n0.011898 0.011898 0.006562 Cr\n0.654042 0.009959 0.819257 Cr\n0.009959 0.654042 0.819257 Cr\n0.898771 0.282505 0.716523 P\n0.282505 0.898771 0.716523 P\n0.670826 0.670826 0.059924 P\n0.316354 0.316354 0.903571 P\n0.712624 0.085949 0.299600 P\n0.085949 0.712624 0.299600 P\n0.595326 0.774876 0.910109 O\n0.774876 0.595326 0.910109 O\n0.746866 0.746866 0.214415 O\n0.957024 0.382075 0.869336 O\n0.382075 0.957024 0.869336 O\n0.111851 0.912755 0.767796 O\n0.912755 0.111851 0.767796 O\n0.720027 0.269231 0.748936 O\n0.269231 0.720027 0.748936 O\n0.533795 0.533795 0.161951 O\n0.420219 0.420219 0.698659 O\n0.118187 0.890283 0.214317 O\n0.890283 0.118187 0.214317 O\n0.242086 0.675559 0.321561 O\n0.675559 0.242086 0.321561 O\n0.685252 0.970253 0.510577 O\n0.970253 0.685252 0.510577 O\n0.198605 0.198605 0.848356 O\n0.618362 0.019383 0.141578 O\n0.019383 0.618362 0.141578 O\n0.420736 0.238274 0.037764 O\n0.238274 0.420736 0.037764 O\n0.986583 0.347049 0.492215 O\n0.347049 0.986583 0.492215 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.0858944987248096,
"density_atomic": 0.07923868219037389,
"volume": 517.4240518222649,
"volume_molar": 7.600001152885888,
"formula_full": "Li4 Cr7 P6 O24",
"formula_reduced": "Li4Cr7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -327.76577566,
"energy_per_atom": -7.994287211219511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -297.28477566,
"band_gap": 1.7957,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9988736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.240000Z",
"spacegroup": 8
},
{
"id": "mp-761050",
"created_at": "2022-09-04T14:46:59.683238Z",
"structure_string": "Na14 Cr8 P12 O48\n1.0\n8.836508 0.000000 0.000000\n0.000000 9.029307 0.000000\n0.000000 0.036083 12.881961\nNa Cr P O\n14 8 12 48\ndirect\n0.183228 0.473295 0.814028 Na\n0.183228 0.526705 0.185972 Na\n0.263416 0.947866 0.667456 Na\n0.263416 0.052134 0.332544 Na\n0.442411 0.235964 0.822709 Na\n0.442411 0.764036 0.177291 Na\n0.572579 0.770143 0.814496 Na\n0.572579 0.229857 0.185504 Na\n0.695293 0.464355 0.670583 Na\n0.695293 0.535645 0.329417 Na\n0.818968 0.966688 0.832661 Na\n0.818968 0.033312 0.167339 Na\n0.930233 0.751622 0.319894 Na\n0.930233 0.248378 0.680106 Na\n0.244863 0.215033 0.100420 Cr\n0.244863 0.784967 0.899580 Cr\n0.255791 0.287655 0.596846 Cr\n0.255791 0.712345 0.403154 Cr\n0.755417 0.789886 0.602449 Cr\n0.755417 0.210114 0.397551 Cr\n0.760080 0.301239 0.905869 Cr\n0.760080 0.698761 0.094131 Cr\n0.028374 0.000000 0.500000 P\n0.118493 0.144611 0.855092 P\n0.118493 0.855389 0.144908 P\n0.389108 0.638972 0.646505 P\n0.389108 0.361028 0.353495 P\n0.457456 0.500000 0.000000 P\n0.530124 0.000000 0.000000 P\n0.607714 0.130883 0.639647 P\n0.607714 0.869117 0.360353 P\n0.888281 0.649813 0.839077 P\n0.888281 0.350187 0.160923 P\n0.969970 0.500000 0.500000 P\n0.067492 0.410292 0.578999 O\n0.067492 0.589708 0.421001 O\n0.060102 0.676647 0.852134 O\n0.060102 0.323353 0.147866 O\n0.129908 0.893870 0.435081 O\n0.129908 0.106130 0.564919 O\n0.196844 0.211396 0.950868 O\n0.196844 0.788604 0.049132 O\n0.149382 0.976756 0.840747 O\n0.149382 0.023244 0.159253 O\n0.184870 0.232208 0.759325 O\n0.184870 0.767792 0.240675 O\n0.330527 0.730286 0.740986 O\n0.330527 0.269714 0.259014 O\n0.359266 0.530872 0.336343 O\n0.359266 0.469128 0.663657 O\n0.309618 0.699329 0.549062 O\n0.309618 0.300671 0.450938 O\n0.353154 0.593158 0.926911 O\n0.353154 0.406842 0.073089 O\n0.431478 0.149110 0.636126 O\n0.431478 0.850890 0.363874 O\n0.431465 0.897779 0.929463 O\n0.431465 0.102221 0.070537 O\n0.554399 0.595449 0.073343 O\n0.554399 0.404551 0.926657 O\n0.562962 0.662315 0.640537 O\n0.562962 0.337685 0.359463 O\n0.627699 0.089482 0.923127 O\n0.627699 0.910518 0.076873 O\n0.686831 0.184640 0.540495 O\n0.686831 0.815360 0.459505 O\n0.641496 0.965480 0.665962 O\n0.641496 0.034520 0.334038 O\n0.671317 0.230133 0.727694 O\n0.671317 0.769867 0.272306 O\n0.822914 0.745605 0.747799 O\n0.822914 0.254395 0.252201 O\n0.863827 0.482371 0.816772 O\n0.863827 0.517629 0.183228 O\n0.798557 0.709030 0.932210 O\n0.798557 0.290970 0.067790 O\n0.864675 0.600810 0.564454 O\n0.864675 0.399190 0.435546 O\n0.946224 0.828007 0.142935 O\n0.946224 0.171993 0.857065 O\n0.935754 0.916341 0.582696 O\n0.935754 0.083659 0.417304 O\n",
"nsites": 82,
"nelements": 4,
"elements": [
"Na",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Na-O-P",
"density": 3.033247058427598,
"density_atomic": 0.07978050443842642,
"volume": 1027.8200241675152,
"volume_molar": 7.548386416443144,
"formula_full": "Na14 Cr8 P12 O48",
"formula_reduced": "Na7Cr4(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -607.36276773,
"energy_per_atom": -7.406863021097561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -558.39476773,
"band_gap": 0.5078999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9953644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.576000Z",
"spacegroup": 3
},
{
"id": "mp-560035",
"created_at": "2022-09-04T14:47:29.252555Z",
"structure_string": "Tl4 Ni7 P6 O24\n1.0\n7.228515 5.424203 0.000000\n-7.228515 5.424203 0.000000\n0.000000 1.571158 6.597808\nTl Ni P O\n4 7 6 24\ndirect\n0.302060 0.302060 0.495380 Tl\n0.735521 0.506439 0.466885 Tl\n0.918145 0.918145 0.520707 Tl\n0.506439 0.735521 0.466885 Tl\n0.999331 0.999331 0.000317 Ni\n0.362502 0.983120 0.174424 Ni\n0.030389 0.637886 0.814619 Ni\n0.382329 0.622803 0.990409 Ni\n0.983120 0.362502 0.174424 Ni\n0.637886 0.030389 0.814619 Ni\n0.622803 0.382329 0.990409 Ni\n0.304632 0.304632 0.988656 P\n0.116496 0.715817 0.266743 P\n0.715817 0.116496 0.266743 P\n0.284251 0.898993 0.727021 P\n0.700376 0.700376 0.991129 P\n0.898993 0.284251 0.727021 P\n0.989332 0.397865 0.853750 O\n0.190321 0.190321 0.895921 O\n0.661615 0.045330 0.492278 O\n0.398567 0.220536 0.120465 O\n0.023786 0.603124 0.139602 O\n0.435613 0.435613 0.830261 O\n0.277965 0.718244 0.773267 O\n0.220536 0.398567 0.120465 O\n0.891306 0.119851 0.198841 O\n0.609130 0.789824 0.861560 O\n0.333353 0.969140 0.500866 O\n0.728563 0.296759 0.214925 O\n0.789824 0.609130 0.861560 O\n0.563540 0.563540 0.136279 O\n0.806538 0.806538 0.102616 O\n0.045330 0.661615 0.492278 O\n0.397865 0.989332 0.853750 O\n0.296759 0.728563 0.214925 O\n0.603124 0.023786 0.139602 O\n0.885875 0.107435 0.799814 O\n0.969140 0.333353 0.500866 O\n0.119851 0.891306 0.198841 O\n0.718244 0.277965 0.773267 O\n0.107435 0.885875 0.799814 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Tl",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Tl",
"density": 5.771332092456188,
"density_atomic": 0.079244506789479,
"volume": 517.3860203196244,
"volume_molar": 7.5994425405390205,
"formula_full": "Tl4 Ni7 P6 O24",
"formula_reduced": "Tl4Ni7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -285.16174795,
"energy_per_atom": -6.955164584146342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.88674795000003,
"band_gap": 2.732,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9998622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.976000Z",
"spacegroup": 8
},
{
"id": "mp-762050",
"created_at": "2022-09-04T14:44:21.581473Z",
"structure_string": "Li4 Cu7 P6 O24\n1.0\n7.077647 5.346211 0.000000\n-7.077647 5.346211 0.000000\n0.000000 1.579550 6.102912\nLi Cu P O\n4 7 6 24\ndirect\n0.988471 0.988471 0.496781 Li\n0.634301 0.634301 0.587907 Li\n0.318780 0.537810 0.494891 Li\n0.537810 0.318780 0.494891 Li\n0.355425 0.995329 0.185737 Cu\n0.995329 0.355425 0.185737 Cu\n0.996031 0.996031 0.000734 Cu\n0.652795 0.341785 0.001815 Cu\n0.341785 0.652795 0.001815 Cu\n0.639551 0.998168 0.820442 Cu\n0.998168 0.639551 0.820442 Cu\n0.288973 0.905486 0.701280 P\n0.905486 0.288973 0.701280 P\n0.674966 0.674966 0.083535 P\n0.316392 0.316392 0.924486 P\n0.706381 0.081608 0.303317 P\n0.081608 0.706381 0.303317 P\n0.649832 0.960559 0.522632 O\n0.960559 0.649832 0.522632 O\n0.972304 0.386270 0.872701 O\n0.386270 0.972304 0.872701 O\n0.807786 0.807786 0.133882 O\n0.574991 0.746755 0.930558 O\n0.746755 0.574991 0.930558 O\n0.883043 0.102361 0.762019 O\n0.102361 0.883043 0.762019 O\n0.300429 0.732154 0.706322 O\n0.732154 0.300429 0.706322 O\n0.567819 0.567819 0.298073 O\n0.423034 0.423034 0.707075 O\n0.688560 0.251875 0.302616 O\n0.251875 0.688560 0.302616 O\n0.893755 0.111402 0.236567 O\n0.111402 0.893755 0.236567 O\n0.183179 0.183179 0.878147 O\n0.607610 0.014525 0.134481 O\n0.014525 0.607610 0.134481 O\n0.245114 0.421571 0.065896 O\n0.421571 0.245114 0.065896 O\n0.356680 0.027212 0.483818 O\n0.027212 0.356680 0.483818 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.7478940719405056,
"density_atomic": 0.08877317644204094,
"volume": 461.8512217681933,
"volume_molar": 6.783739189429356,
"formula_full": "Li4 Cu7 P6 O24",
"formula_reduced": "Li4Cu7(PO4)6",
"formula_anonymous": "A4B6C7D24",
"energy": -270.56484553,
"energy_per_atom": -6.599142573902439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.07684553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9990407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.925000Z",
"spacegroup": 8
},
{
"id": "mp-24474",
"created_at": "2022-09-04T14:43:55.648299Z",
"structure_string": "Fe7 P6 H4 O24\n1.0\n6.675374 0.000000 0.000000\n-1.633987 7.941227 0.000000\n-3.113720 -2.910294 8.583197\nFe P H O\n7 6 4 24\ndirect\n0.055778 0.709675 0.516370 Fe\n0.944222 0.290325 0.483630 Fe\n0.268592 0.803916 0.280489 Fe\n0.731408 0.196084 0.719511 Fe\n0.613539 0.546022 0.886779 Fe\n0.386461 0.453978 0.113221 Fe\n0.000000 0.000000 0.000000 Fe\n0.593204 0.779199 0.633183 P\n0.406796 0.220801 0.366817 P\n0.912199 0.415164 0.170980 P\n0.087801 0.584836 0.829020 P\n0.777881 0.854345 0.226453 P\n0.222119 0.145655 0.773547 P\n0.660824 0.734203 0.420715 H\n0.177604 0.879354 0.805411 H\n0.822396 0.120646 0.194589 H\n0.339176 0.265797 0.579285 H\n0.740520 0.738759 0.531700 O\n0.259480 0.261241 0.468300 O\n0.550071 0.632654 0.701046 O\n0.449929 0.367346 0.298954 O\n0.382293 0.792035 0.511459 O\n0.617707 0.207965 0.488541 O\n0.880289 0.462873 0.834879 O\n0.119711 0.537127 0.165121 O\n0.897902 0.215685 0.104078 O\n0.014421 0.169835 0.659490 O\n0.985579 0.830165 0.340510 O\n0.225117 0.188008 0.939753 O\n0.774883 0.811992 0.060247 O\n0.569040 0.752714 0.245673 O\n0.430960 0.247286 0.754327 O\n0.789639 0.059256 0.274998 O\n0.210361 0.940744 0.725002 O\n0.273807 0.038728 0.235512 O\n0.726193 0.961272 0.764488 O\n0.302571 0.549068 0.922434 O\n0.697429 0.450932 0.077566 O\n0.063535 0.545535 0.656421 O\n0.936465 0.454465 0.343579 O\n0.102098 0.784315 0.895922 O\n",
"nsites": 41,
"nelements": 4,
"elements": [
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-O-P",
"density": 3.520973968000724,
"density_atomic": 0.09010970395444218,
"volume": 455.00093997344453,
"volume_molar": 6.68312123524974,
"formula_full": "Fe7 P6 H4 O24",
"formula_reduced": "Fe7P6(HO6)4",
"formula_anonymous": "A4B6C7D24",
"energy": -307.91092741,
"energy_per_atom": -7.510022619756097,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.63092741,
"band_gap": 3.1224,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0035864,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.295000Z",
"spacegroup": 2
}
]
}