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{
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{
"id": "mp-1517713",
"created_at": "2022-09-04T14:46:25.719127Z",
"structure_string": "Sr1 Tb1 Eu1 V1 O6\n1.0\n-0.000000 -4.175646 -4.175646\n4.175646 -0.000000 -4.175646\n4.175646 -4.175646 -0.000000\nSr Tb Eu V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 V\n0.731212 0.268788 0.268788 O\n0.268788 0.731212 0.731212 O\n0.731212 0.268788 0.731212 O\n0.268788 0.731212 0.268788 O\n0.731212 0.731212 0.268788 O\n0.268788 0.268788 0.731212 O\n",
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"formula_full": "Sr1 Tb1 Eu1 V1 O6",
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{
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"created_at": "2022-09-04T14:46:25.757357Z",
"structure_string": "Lu1 Zn1 Fe1 O4\n1.0\n8.663755 -1.714403 0.000000\n8.663755 1.714403 0.000000\n8.324506 0.000000 2.949989\nLu Zn Fe O\n1 1 1 4\ndirect\n0.003035 0.003035 0.003035 Lu\n0.219243 0.219243 0.219243 Zn\n0.786650 0.786650 0.786650 Fe\n0.120009 0.120009 0.120009 O\n0.865030 0.865030 0.865030 O\n0.296212 0.296212 0.296212 O\n0.709820 0.709820 0.709820 O\n",
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"elements": [
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],
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"density": 6.825677403719761,
"density_atomic": 0.07987825471874518,
"volume": 87.63336185357711,
"volume_molar": 7.539149147917941,
"formula_full": "Lu1 Zn1 Fe1 O4",
"formula_reduced": "LuZnFeO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:37:36.274000Z",
"spacegroup": 160
},
{
"id": "mp-754874",
"created_at": "2022-09-04T14:46:24.292638Z",
"structure_string": "Cr6 O16\n1.0\n5.492119 0.000000 0.000000\n0.000000 6.610196 0.000000\n0.000000 0.000000 8.243730\nCr O\n6 16\ndirect\n0.000000 0.500000 0.000000 Cr\n0.000000 0.215971 0.342601 Cr\n0.000000 0.784029 0.657399 Cr\n0.500000 0.284029 0.842601 Cr\n0.500000 0.715971 0.157399 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.973760 0.774055 O\n0.000000 0.431099 0.233157 O\n0.000000 0.568901 0.766843 O\n0.000000 0.026240 0.225945 O\n0.752857 0.298854 0.963614 O\n0.752857 0.701146 0.036386 O\n0.747143 0.798854 0.536386 O\n0.747143 0.201146 0.463614 O\n0.500000 0.068901 0.733157 O\n0.500000 0.473760 0.725945 O\n0.500000 0.931099 0.266843 O\n0.500000 0.526240 0.274055 O\n0.252857 0.798854 0.536386 O\n0.252857 0.201146 0.463614 O\n0.247143 0.298854 0.963614 O\n0.247143 0.701146 0.036386 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cr-O",
"density": 3.15133204408742,
"density_atomic": 0.07350969923712612,
"volume": 299.2802341502288,
"volume_molar": 8.192307712447441,
"formula_full": "Cr6 O16",
"formula_reduced": "Cr3O8",
"formula_anonymous": "A3B8",
"energy": -173.27533805,
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"updated_at": "2021-11-28T01:37:36.122000Z",
"spacegroup": 58
},
{
"id": "mp-1236385",
"created_at": "2022-09-04T14:46:24.363450Z",
"structure_string": "Li1 Mn9 Cd1 O10\n1.0\n-4.400874 2.407921 2.408518\n2.240214 -4.795207 7.288926\n4.482366 2.494716 2.493761\nLi Mn Cd O\n1 9 1 10\ndirect\n0.018578 0.799585 0.879640 Li\n0.532718 0.397741 0.334771 Mn\n0.038328 0.044341 0.024883 Mn\n0.526805 0.026716 0.518472 Mn\n0.038207 0.555096 0.269783 Mn\n0.030668 0.195759 0.446940 Mn\n0.533227 0.202389 0.932568 Mn\n0.526803 0.573186 0.745395 Mn\n0.031020 0.403799 0.843284 Mn\n0.853995 0.799987 0.426612 Mn\n0.483578 0.800075 0.047059 Cd\n0.785537 0.048305 0.262951 O\n0.775375 0.404523 0.082846 O\n0.775445 0.195164 0.687470 O\n0.785698 0.551465 0.511846 O\n0.286404 0.205791 0.188425 O\n0.108550 0.799749 0.223134 O\n0.680654 0.799966 0.709492 O\n0.260163 0.022221 0.761295 O\n0.286573 0.393884 0.594693 O\n0.260724 0.577132 0.984632 O\n",
"nsites": 21,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-Li-Mn-O",
"density": 4.883748530850849,
"density_atomic": 0.07981807934782953,
"volume": 263.0982876509299,
"volume_molar": 7.5448329616612835,
"formula_full": "Li1 Mn9 Cd1 O10",
"formula_reduced": "LiMn9CdO10",
"formula_anonymous": "ABC9D10",
"energy": -171.09245637,
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"updated_at": "2021-11-28T01:37:40.307000Z",
"spacegroup": 8
},
{
"id": "mp-1521550",
"created_at": "2022-09-04T14:46:24.317309Z",
"structure_string": "Sm1 Eu1 Ni4 O12\n1.0\n5.829229 0.000000 0.000000\n0.000000 5.829229 -0.000000\n0.000000 0.000000 8.334443\nSm Eu Ni O\n1 1 4 12\ndirect\n0.000000 -0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Eu\n0.000000 0.500000 0.752197 Ni\n0.000000 0.500000 0.247803 Ni\n0.500000 -0.000000 0.752197 Ni\n0.500000 -0.000000 0.247803 Ni\n0.246940 0.246940 0.746384 O\n0.246940 0.246940 0.253616 O\n0.753060 0.753060 0.746384 O\n0.753060 0.753060 0.253616 O\n0.753060 0.246940 0.746384 O\n0.753060 0.246940 0.253616 O\n0.246940 0.753060 0.253616 O\n0.246940 0.753060 0.746384 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Eu",
"Ni",
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],
"chemical_system": "Eu-Ni-O-Sm",
"density": 4.274956136220724,
"density_atomic": 0.06355850754210803,
"volume": 283.20362916128664,
"volume_molar": 9.474956214178382,
"formula_full": "Sm1 Eu1 Ni4 O12",
"formula_reduced": "SmEu(NiO3)4",
"formula_anonymous": "ABC4D12",
"energy": -112.06861236,
"energy_per_atom": -6.22603402,
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"updated_at": "2021-11-28T01:37:32.798000Z",
"spacegroup": 123
},
{
"id": "mp-1229207",
"created_at": "2022-09-04T14:46:24.318546Z",
"structure_string": "Al4 Si8 O24\n1.0\n9.563469 0.000000 0.000000\n-0.773737 9.547760 0.000000\n-0.854736 -0.830238 9.640413\nAl Si O\n4 8 24\ndirect\n0.114448 0.872545 0.339679 Al\n0.875173 0.341118 0.110468 Al\n0.335429 0.109434 0.877971 Al\n0.894155 0.123667 0.662895 Al\n0.339395 0.874098 0.106247 Si\n0.871805 0.101842 0.332027 Si\n0.105612 0.343186 0.876623 Si\n0.665204 0.120702 0.894493 Si\n0.123532 0.668921 0.901456 Si\n0.124233 0.885824 0.668686 Si\n0.664417 0.895967 0.119046 Si\n0.892256 0.671314 0.118215 Si\n0.020984 0.340321 0.013837 O\n0.335152 0.014182 0.024204 O\n0.014153 0.018672 0.335933 O\n0.980198 0.673334 0.980363 O\n0.662846 0.980347 0.980600 O\n0.986104 0.973064 0.667195 O\n0.738074 0.997386 0.253398 O\n0.254831 0.993213 0.740231 O\n0.003194 0.268563 0.743652 O\n0.993380 0.741454 0.252430 O\n0.259927 0.739772 0.003430 O\n0.739152 0.254034 0.995744 O\n0.837843 0.514137 0.148280 O\n0.150909 0.507880 0.852222 O\n0.508058 0.153748 0.842501 O\n0.504044 0.840851 0.144410 O\n0.150451 0.833681 0.511371 O\n0.838896 0.141627 0.490480 O\n0.261579 0.891161 0.246763 O\n0.893618 0.242181 0.252368 O\n0.244695 0.259458 0.892628 O\n0.755532 0.096528 0.764054 O\n0.103308 0.752558 0.762946 O\n0.757413 0.763228 0.093153 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 1.3517947032603717,
"density_atomic": 0.04089685511551602,
"volume": 880.2632842627015,
"volume_molar": 14.725192788027448,
"formula_full": "Al4 Si8 O24",
"formula_reduced": "Al(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -285.59950615,
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"updated_at": "2021-11-28T01:37:32.556000Z",
"spacegroup": 1
},
{
"id": "mp-754525",
"created_at": "2022-09-04T14:46:24.344327Z",
"structure_string": "Li8 Ti6 V6 Te4 O32\n1.0\n6.093749 0.093941 -0.000832\n0.164185 10.367972 -0.005827\n-0.001237 -0.005532 10.301282\nLi Ti V Te O\n8 6 6 4 32\ndirect\n0.994019 0.331456 0.906062 Li\n0.494055 0.831476 0.906098 Li\n0.006204 0.002002 0.985257 Li\n0.506102 0.502017 0.985322 Li\n0.002448 0.000916 0.495523 Li\n0.502502 0.500922 0.495658 Li\n0.505166 0.168392 0.395809 Li\n0.005298 0.668253 0.395919 Li\n0.264570 0.088300 0.733026 Ti\n0.764605 0.588262 0.733024 Ti\n0.764037 0.420325 0.220182 Ti\n0.264323 0.920337 0.220195 Ti\n0.012930 0.172023 0.219601 Ti\n0.513359 0.671963 0.219983 Ti\n0.746401 0.915445 0.208005 V\n0.002993 0.824266 0.716187 V\n0.237716 0.589320 0.716269 V\n0.246106 0.415435 0.207831 V\n0.503091 0.324230 0.716207 V\n0.737554 0.089458 0.716311 V\n0.005364 0.335056 0.512392 Te\n0.505319 0.835059 0.512470 Te\n0.517062 0.172406 0.996207 Te\n0.016986 0.672264 0.996238 Te\n0.773046 0.257550 0.320360 O\n0.273047 0.757585 0.320268 O\n0.988026 0.329388 0.108765 O\n0.488541 0.829491 0.108981 O\n0.002156 0.000664 0.311170 O\n0.502551 0.500755 0.311322 O\n0.010019 0.003364 0.802710 O\n0.510008 0.503324 0.802719 O\n0.213769 0.071158 0.108552 O\n0.713863 0.571227 0.108535 O\n0.258244 0.419524 0.600085 O\n0.758233 0.919515 0.600135 O\n0.475254 0.158477 0.607700 O\n0.975248 0.658481 0.607768 O\n0.718362 0.239538 0.856930 O\n0.218457 0.739474 0.856966 O\n0.751747 0.415786 0.602000 O\n0.251648 0.915814 0.602071 O\n0.999296 0.168004 0.602138 O\n0.499272 0.668006 0.602176 O\n0.994002 0.492411 0.312769 O\n0.493952 0.992567 0.312694 O\n0.235996 0.250714 0.312250 O\n0.736110 0.750655 0.312707 O\n0.258523 0.239107 0.833013 O\n0.758635 0.739036 0.833147 O\n0.487732 0.009899 0.833298 O\n0.987687 0.509780 0.833179 O\n0.507192 0.342347 0.095467 O\n0.007112 0.842249 0.095253 O\n0.766867 0.082438 0.095243 O\n0.266895 0.582385 0.095537 O\n",
"nsites": 56,
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"elements": [
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],
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"volume": 650.6740427158705,
"volume_molar": 6.99723334663076,
"formula_full": "Li8 Ti6 V6 Te4 O32",
"formula_reduced": "Li4Ti3V3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -431.91693736,
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"updated_at": "2021-11-28T01:37:32.629000Z",
"spacegroup": 8
},
{
"id": "mp-753509",
"created_at": "2022-09-04T14:46:24.348731Z",
"structure_string": "Li6 Mn2 O2 F8\n1.0\n-3.738777 0.000573 -0.000202\n-1.869778 5.130477 0.070559\n0.000352 -0.139666 -10.332876\nLi Mn O F\n6 2 2 8\ndirect\n0.169187 0.661971 0.362917 Li\n0.669131 0.662126 0.863069 Li\n0.648580 0.703650 0.161949 Li\n0.148738 0.703352 0.662025 Li\n0.865587 0.268373 0.311942 Li\n0.365583 0.268344 0.811970 Li\n0.489364 0.021388 0.514502 Mn\n0.988948 0.022078 0.014345 Mn\n0.024090 0.951707 0.496766 O\n0.523791 0.952205 0.996782 O\n0.094917 0.810670 0.176243 F\n0.595016 0.810514 0.676409 F\n0.828014 0.342861 0.133937 F\n0.328224 0.342518 0.633929 F\n0.672315 0.655817 0.358592 F\n0.172382 0.655748 0.858750 F\n0.375187 0.249376 0.360937 F\n0.875051 0.249649 0.860939 F\n",
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],
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"density": 2.8115688269602686,
"density_atomic": 0.09083832077897215,
"volume": 198.15425742839972,
"volume_molar": 6.6295157245949925,
"formula_full": "Li6 Mn2 O2 F8",
"formula_reduced": "Li3MnOF4",
"formula_anonymous": "ABC3D4",
"energy": -105.92673507,
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"updated_at": "2021-11-28T01:37:33.474000Z",
"spacegroup": 8
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{
"id": "mp-850103",
"created_at": "2022-09-04T14:46:24.370502Z",
"structure_string": "Li8 V10 Fe4 O24\n1.0\n9.006394 0.000000 0.000000\n0.000000 5.205424 0.000000\n0.000000 1.780297 9.744884\nLi V Fe O\n8 10 4 24\ndirect\n0.915589 0.011030 0.741665 Li\n0.919476 0.483718 0.259545 Li\n0.582204 0.758183 0.503175 Li\n0.583513 0.499350 0.257271 Li\n0.415589 0.988970 0.258335 Li\n0.419476 0.516282 0.740455 Li\n0.082204 0.241817 0.496825 Li\n0.083513 0.500650 0.742729 Li\n0.918786 0.253522 0.002296 V\n0.927735 0.748913 0.494853 V\n0.748791 0.988094 0.255239 V\n0.573360 0.245476 0.997726 V\n0.743796 0.513608 0.742422 V\n0.427735 0.251087 0.505147 V\n0.418786 0.746478 0.997704 V\n0.248791 0.011906 0.744761 V\n0.243796 0.486392 0.257578 V\n0.073360 0.754524 0.002274 V\n0.753322 0.238097 0.505659 Fe\n0.743876 0.757388 0.991218 Fe\n0.243876 0.242612 0.008782 Fe\n0.253322 0.761903 0.494341 Fe\n0.902561 0.112428 0.384343 O\n0.907462 0.882904 0.117508 O\n0.751555 0.153565 0.882184 O\n0.770483 0.862323 0.619699 O\n0.906349 0.387241 0.620588 O\n0.914918 0.615878 0.874767 O\n0.762255 0.635809 0.371557 O\n0.598183 0.128819 0.379505 O\n0.575673 0.882095 0.120819 O\n0.745915 0.351602 0.118961 O\n0.402561 0.887572 0.615657 O\n0.407462 0.117096 0.882492 O\n0.574838 0.600340 0.879728 O\n0.595062 0.388007 0.613639 O\n0.270483 0.137677 0.380301 O\n0.406349 0.612759 0.379412 O\n0.414918 0.384122 0.125233 O\n0.251555 0.846435 0.117816 O\n0.245915 0.648398 0.881039 O\n0.075673 0.117905 0.879181 O\n0.098183 0.871181 0.620495 O\n0.262255 0.364191 0.628443 O\n0.095062 0.611993 0.386361 O\n0.074838 0.399660 0.120272 O\n",
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],
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