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{
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"results": [
{
"id": "mp-757106",
"created_at": "2022-09-04T14:47:18.030936Z",
"structure_string": "Li8 Sn8 P8 O32\n1.0\n12.557185 0.000000 0.000000\n0.000000 6.282320 0.000000\n0.000000 1.604967 9.658520\nLi Sn P O\n8 8 8 32\ndirect\n0.865210 0.037492 0.951584 Li\n0.634790 0.037492 0.451584 Li\n0.373164 0.496398 0.657698 Li\n0.126836 0.496398 0.157698 Li\n0.873164 0.503602 0.842302 Li\n0.626836 0.503602 0.342302 Li\n0.365210 0.962508 0.548416 Li\n0.134790 0.962508 0.048416 Li\n0.088797 0.896045 0.732765 Sn\n0.411203 0.896045 0.232765 Sn\n0.643772 0.646503 0.981895 Sn\n0.856228 0.646503 0.481895 Sn\n0.143772 0.353497 0.518105 Sn\n0.356228 0.353497 0.018105 Sn\n0.588797 0.103955 0.767235 Sn\n0.911203 0.103955 0.267235 Sn\n0.344710 0.858561 0.846608 P\n0.155290 0.858561 0.346608 P\n0.610507 0.627008 0.636874 P\n0.889493 0.627008 0.136874 P\n0.110507 0.372992 0.863126 P\n0.389493 0.372992 0.363126 P\n0.844710 0.141439 0.653392 P\n0.655290 0.141439 0.153392 P\n0.262993 0.915772 0.407979 O\n0.914072 0.932815 0.692286 O\n0.237007 0.915772 0.907979 O\n0.585928 0.932815 0.192286 O\n0.328247 0.759333 0.714369 O\n0.548879 0.844071 0.607768 O\n0.171753 0.759333 0.214369 O\n0.951121 0.844071 0.107768 O\n0.405134 0.693666 0.960582 O\n0.684477 0.613828 0.765586 O\n0.094866 0.693666 0.460582 O\n0.680265 0.605811 0.506383 O\n0.030236 0.566771 0.839262 O\n0.815523 0.613828 0.265586 O\n0.819735 0.605811 0.006383 O\n0.469764 0.566771 0.339262 O\n0.530236 0.433229 0.660738 O\n0.180265 0.394189 0.993617 O\n0.184477 0.386172 0.734414 O\n0.969764 0.433229 0.160738 O\n0.319735 0.394189 0.493617 O\n0.905134 0.306334 0.539418 O\n0.315523 0.386172 0.234414 O\n0.594866 0.306334 0.039418 O\n0.048879 0.155929 0.892232 O\n0.828247 0.240667 0.785631 O\n0.451121 0.155929 0.392232 O\n0.671753 0.240667 0.285631 O\n0.414072 0.067185 0.807714 O\n0.762993 0.084228 0.092021 O\n0.085928 0.067185 0.307714 O\n0.737007 0.084228 0.592021 O\n",
"nsites": 56,
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"elements": [
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"P",
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],
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"volume_molar": 8.193808421036337,
"formula_full": "Li8 Sn8 P8 O32",
"formula_reduced": "LiSnPO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:38:03.229000Z",
"spacegroup": 14
},
{
"id": "mp-1101990",
"created_at": "2022-09-04T14:47:18.102299Z",
"structure_string": "Sr1 Gd2 Sc2 O7\n1.0\n4.045618 0.000000 0.000000\n0.000000 4.045618 0.000000\n-2.022809 -2.022809 10.178101\nSr Gd Sc O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.683408 0.683408 0.366816 Gd\n0.316592 0.316592 0.633184 Gd\n0.898095 0.898095 0.796190 Sc\n0.101905 0.101905 0.203810 Sc\n0.000000 0.000000 0.000000 O\n0.788846 0.788846 0.577692 O\n0.211154 0.211154 0.422308 O\n0.387010 0.887010 0.774020 O\n0.112990 0.612990 0.225980 O\n0.612990 0.112990 0.225980 O\n0.887010 0.387010 0.774020 O\n",
"nsites": 12,
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"elements": [
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"Sc",
"O"
],
"chemical_system": "Gd-O-Sc-Sr",
"density": 6.021010660120172,
"density_atomic": 0.0720351963079781,
"volume": 166.5852335391077,
"volume_molar": 8.359997707583164,
"formula_full": "Sr1 Gd2 Sc2 O7",
"formula_reduced": "SrGd2Sc2O7",
"formula_anonymous": "AB2C2D7",
"energy": -121.58930738,
"energy_per_atom": -10.132442281666666,
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"updated_at": "2021-11-28T01:38:01.538000Z",
"spacegroup": 139
},
{
"id": "mp-1100438",
"created_at": "2022-09-04T14:47:18.129378Z",
"structure_string": "Li1 Sc1 Sn1\n1.0\n0.000000 3.375575 3.375575\n3.375575 0.000000 3.375575\n3.375575 3.375575 0.000000\nLi Sc Sn\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Li-Sc-Sn",
"density": 3.6827517007233554,
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"volume": 76.92602310178647,
"volume_molar": 15.441977974198997,
"formula_full": "Li1 Sc1 Sn1",
"formula_reduced": "LiScSn",
"formula_anonymous": "ABC",
"energy": -12.46468485,
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"updated_at": "2021-11-28T01:38:00.324000Z",
"spacegroup": 216
},
{
"id": "mp-758216",
"created_at": "2022-09-04T14:47:18.138184Z",
"structure_string": "Fe14 Si4 O24\n1.0\n-2.956712 2.956712 12.565431\n2.956712 -2.956712 12.565431\n2.956712 2.956712 -12.565431\nFe Si O\n14 4 24\ndirect\n0.875000 0.125000 0.750000 Fe\n0.375000 0.125000 0.250000 Fe\n0.207521 0.952433 0.744913 Fe\n0.207521 0.462608 0.255087 Fe\n0.750000 0.250000 0.500000 Fe\n0.047567 0.792479 0.255087 Fe\n0.537392 0.792479 0.744913 Fe\n0.875000 0.625000 0.750000 Fe\n0.875000 0.125000 0.250000 Fe\n0.212608 0.457521 0.755087 Fe\n0.702433 0.457521 0.244913 Fe\n0.000000 0.000000 0.000000 Fe\n0.542479 0.297567 0.755087 Fe\n0.542479 0.787392 0.244913 Fe\n0.081901 0.581901 0.500000 Si\n0.668099 0.668099 0.000000 Si\n0.331901 0.331901 0.000000 Si\n0.418099 0.918099 0.500000 Si\n0.120315 0.848278 0.727963 O\n0.120315 0.392352 0.272037 O\n0.629685 0.401722 0.772037 O\n0.629685 0.857648 0.227963 O\n0.473517 0.705758 0.767759 O\n0.937999 0.705758 0.232241 O\n0.438801 0.204201 0.234600 O\n0.969601 0.204201 0.765400 O\n0.795799 0.030399 0.234600 O\n0.795799 0.561199 0.765400 O\n0.294242 0.062001 0.767759 O\n0.294242 0.526483 0.232241 O\n0.598278 0.370315 0.227963 O\n0.142352 0.370315 0.772037 O\n0.607648 0.879685 0.727963 O\n0.151722 0.879685 0.272037 O\n0.455758 0.187999 0.732241 O\n0.455758 0.723517 0.267759 O\n0.954201 0.219601 0.265400 O\n0.954201 0.688801 0.734600 O\n0.311199 0.045799 0.265400 O\n0.780399 0.045799 0.734600 O\n0.276483 0.544242 0.732241 O\n0.812001 0.544242 0.267759 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 4.830344161970846,
"density_atomic": 0.09558590613964811,
"volume": 439.3953219278925,
"volume_molar": 6.300239233179246,
"formula_full": "Fe14 Si4 O24",
"formula_reduced": "Fe7(SiO6)2",
"formula_anonymous": "A2B7C12",
"energy": -343.18974115,
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"energy_uncorrected": -295.11774115,
"band_gap": 0.3522000000000007,
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"updated_at": "2021-11-28T01:38:01.138000Z",
"spacegroup": 141
},
{
"id": "mp-752809",
"created_at": "2022-09-04T14:47:18.141923Z",
"structure_string": "V6 O7 F5\n1.0\n4.681494 0.000000 0.000000\n0.103829 5.615061 0.000000\n0.073181 0.490667 7.787094\nV O F\n6 7 5\ndirect\n0.522408 0.162485 0.334224 V\n0.465913 0.479026 0.985870 V\n0.524514 0.823951 0.662214 V\n0.995717 0.678407 0.322078 V\n0.970355 0.344670 0.671918 V\n0.013018 0.012372 0.016105 V\n0.808877 0.630656 0.555708 O\n0.784834 0.300639 0.910335 O\n0.806012 0.965909 0.238100 O\n0.691453 0.129676 0.569695 O\n0.303216 0.532581 0.766563 O\n0.304235 0.207367 0.106251 O\n0.210313 0.695541 0.097932 O\n0.707894 0.795909 0.901775 F\n0.693150 0.470408 0.227035 F\n0.304604 0.868969 0.433863 F\n0.198426 0.032711 0.770827 F\n0.195064 0.368724 0.429505 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.158574854122423,
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"volume": 204.69836177208225,
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"formula_full": "V6 O7 F5",
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"energy": -148.35179198999998,
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"updated_at": "2021-11-28T01:38:05.142000Z",
"spacegroup": 1
},
{
"id": "mp-1207813",
"created_at": "2022-09-04T14:47:18.169186Z",
"structure_string": "Y16 Cd4 Pt4\n1.0\n0.000000 6.885955 6.885955\n6.885955 0.000000 6.885955\n6.885955 6.885955 0.000000\nY Cd Pt\n16 4 4\ndirect\n0.352469 0.352469 0.352469 Y\n0.352469 0.352469 0.942593 Y\n0.352469 0.942593 0.352469 Y\n0.942593 0.352469 0.352469 Y\n0.810540 0.189460 0.189460 Y\n0.189460 0.810540 0.810540 Y\n0.189460 0.810540 0.189460 Y\n0.810540 0.189460 0.810540 Y\n0.189460 0.189460 0.810540 Y\n0.810540 0.810540 0.189460 Y\n0.934714 0.565286 0.565286 Y\n0.565286 0.934714 0.934714 Y\n0.565286 0.934714 0.565286 Y\n0.934714 0.565286 0.934714 Y\n0.565286 0.565286 0.934714 Y\n0.934714 0.934714 0.565286 Y\n0.581909 0.581909 0.581909 Cd\n0.581909 0.581909 0.254273 Cd\n0.581909 0.254273 0.581909 Cd\n0.254273 0.581909 0.581909 Cd\n0.143291 0.143291 0.143291 Pt\n0.143291 0.143291 0.570127 Pt\n0.143291 0.570127 0.143291 Pt\n0.570127 0.143291 0.143291 Pt\n",
"nsites": 24,
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],
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"volume": 653.0140664067447,
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"formula_full": "Y16 Cd4 Pt4",
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"spacegroup": 216
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{
"id": "mp-1233517",
"created_at": "2022-09-04T14:47:18.172324Z",
"structure_string": "Rb12 Ca1 Cl4 O4\n1.0\n7.919976 0.083444 0.389215\n0.099613 7.792303 0.895960\n0.631161 1.257509 12.935680\nRb Ca Cl O\n12 1 4 4\ndirect\n0.957143 0.377293 0.173158 Rb\n0.247434 0.300015 0.598759 Rb\n0.172170 0.199469 0.922383 Rb\n0.219763 0.697782 0.911450 Rb\n0.303905 0.766647 0.533468 Rb\n0.353532 0.861456 0.169471 Rb\n0.559333 0.007834 0.740138 Rb\n0.652481 0.239572 0.978794 Rb\n0.834157 0.297433 0.512999 Rb\n0.731731 0.743065 0.997530 Rb\n0.840068 0.802205 0.434489 Rb\n0.881445 0.574266 0.744918 Rb\n0.476524 0.206531 0.366799 Ca\n0.146053 0.108354 0.365563 Cl\n0.550574 0.548954 0.362189 Cl\n0.467154 0.482318 0.755805 Cl\n0.974016 0.002691 0.755759 Cl\n0.940605 0.460611 0.966168 O\n0.022039 0.555685 0.554164 O\n0.440442 0.944153 0.957553 O\n0.529433 0.082000 0.513920 O\n",
"nsites": 21,
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"formula_full": "Rb12 Ca1 Cl4 O4",
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{
"id": "mp-1232249",
"created_at": "2022-09-04T14:47:18.077347Z",
"structure_string": "Ho8 Mg4 S16\n1.0\n13.473816 0.000000 0.000000\n0.000000 7.867890 0.000000\n0.000000 0.000000 6.512185\nHo Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Ho\n0.500000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.500000 0.500000 Ho\n0.232192 0.750000 0.000729 Ho\n0.767808 0.250000 0.999271 Ho\n0.267808 0.250000 0.500729 Ho\n0.732192 0.750000 0.499271 Ho\n0.092463 0.250000 0.925291 Mg\n0.907537 0.750000 0.074709 Mg\n0.407537 0.750000 0.425291 Mg\n0.592463 0.250000 0.574709 Mg\n0.168276 0.008564 0.743325 S\n0.831724 0.991436 0.256675 S\n0.331724 0.991436 0.243325 S\n0.668276 0.008564 0.756675 S\n0.668276 0.491436 0.756675 S\n0.331724 0.508564 0.243325 S\n0.831724 0.508564 0.256675 S\n0.168276 0.491436 0.743325 S\n0.071133 0.750000 0.248724 S\n0.928867 0.250000 0.751276 S\n0.428867 0.250000 0.748724 S\n0.571133 0.750000 0.251276 S\n0.092113 0.250000 0.292990 S\n0.907887 0.750000 0.707010 S\n0.407887 0.750000 0.792990 S\n0.592113 0.250000 0.207010 S\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.641558720413855,
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"volume": 690.3600020624799,
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"formula_full": "Ho8 Mg4 S16",
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{
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.927393 0.000000 0.000000\n-1.482039 6.332057 0.000000\n-2.734414 -2.638882 6.634442\nLi Mn Co O\n8 2 4 14\ndirect\n0.571594 0.074286 0.358463 Li\n0.724069 0.220812 0.072226 Li\n0.275931 0.779188 0.927774 Li\n0.428406 0.925714 0.641537 Li\n0.000000 0.500000 0.500000 Li\n0.143395 0.638394 0.213143 Li\n0.856605 0.361606 0.786857 Li\n0.500000 0.500000 0.500000 Li\n0.924429 0.925256 0.639928 Mn\n0.075571 0.074744 0.360072 Mn\n0.228973 0.226764 0.085249 Co\n0.355525 0.360248 0.786260 Co\n0.644475 0.639752 0.213740 Co\n0.771027 0.773236 0.914751 Co\n0.959793 0.193303 0.560414 O\n0.096105 0.333470 0.281680 O\n0.710966 0.919581 0.158860 O\n0.831594 0.060608 0.846829 O\n0.414650 0.639615 0.736444 O\n0.572755 0.784118 0.431837 O\n0.255355 0.491576 0.991190 O\n0.168406 0.939392 0.153171 O\n0.289034 0.080419 0.841140 O\n0.903895 0.666530 0.718320 O\n0.040207 0.806697 0.439586 O\n0.585350 0.360385 0.263556 O\n0.744645 0.508424 0.008810 O\n0.427245 0.215882 0.568163 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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{
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"created_at": "2022-09-04T14:47:18.246498Z",
"structure_string": "K4 Na8 Fe4 O10\n1.0\n6.486472 0.000002 0.000002\n0.000002 6.486473 -0.000001\n0.000003 -0.000001 10.542034\nK Na Fe O\n4 8 4 10\ndirect\n0.311257 0.688743 0.999999 K\n0.688748 0.311250 0.000000 K\n0.811249 0.811252 0.500001 K\n0.188745 0.188747 0.500000 K\n0.000004 0.999996 0.223925 Na\n0.000004 0.999995 0.776076 Na\n0.499998 0.499996 0.723925 Na\n0.499997 0.499996 0.276075 Na\n0.000003 0.499999 0.250000 Na\n0.000003 0.499998 0.750000 Na\n0.499997 0.999999 0.250000 Na\n0.499997 0.999998 0.750000 Na\n0.792245 0.792232 0.999998 Fe\n0.707751 0.292242 0.500000 Fe\n0.207789 0.207796 0.000000 Fe\n0.292208 0.707793 0.499999 Fe\n0.000000 0.000000 0.000000 O\n0.499998 0.499997 0.500000 O\n0.291054 0.291050 0.162605 O\n0.708945 0.708942 0.837393 O\n0.708945 0.708943 0.162608 O\n0.208948 0.791050 0.662604 O\n0.208949 0.791051 0.337396 O\n0.291054 0.291049 0.837395 O\n0.791055 0.208943 0.337393 O\n0.791055 0.208943 0.662607 O\n",
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"formula_full": "K4 Na8 Fe4 O10",
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{
"id": "mp-556063",
"created_at": "2022-09-04T14:47:18.248472Z",
"structure_string": "Pr1 P3 H6 O12\n1.0\n3.437145 -5.953309 0.000000\n3.437145 5.953309 0.000000\n0.000000 0.000000 6.125151\nPr P H O\n1 3 6 12\ndirect\n0.000000 0.000000 0.000000 Pr\n0.729482 0.118011 0.500000 P\n0.881989 0.611470 0.500000 P\n0.388530 0.270518 0.500000 P\n0.510598 0.567590 0.125902 H\n0.432410 0.943008 0.125902 H\n0.056992 0.489402 0.874098 H\n0.056992 0.489402 0.125902 H\n0.432410 0.943008 0.874098 H\n0.510598 0.567590 0.874098 H\n0.484772 0.098732 0.500000 O\n0.595579 0.656895 0.000000 O\n0.061316 0.404421 0.000000 O\n0.978419 0.728972 0.288137 O\n0.901268 0.386040 0.500000 O\n0.978419 0.728972 0.711863 O\n0.271028 0.249447 0.288137 O\n0.613960 0.515228 0.500000 O\n0.750553 0.021581 0.288137 O\n0.750553 0.021581 0.711863 O\n0.343105 0.938684 0.000000 O\n0.271028 0.249447 0.711863 O\n",
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]
}