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{
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"results": [
{
"id": "mp-1277814",
"created_at": "2022-09-04T14:39:26.404532Z",
"structure_string": "Li20 Ni4 O4 F20\n1.0\n-0.000580 5.496177 0.003021\n-6.341600 0.000671 -0.000640\n0.001232 0.007366 15.253268\nLi Ni O F\n20 4 4 20\ndirect\n0.333508 0.500055 0.338118 Li\n0.833524 0.749878 0.338127 Li\n0.333511 0.000055 0.338117 Li\n0.833505 0.249873 0.338127 Li\n0.333341 0.499949 0.662198 Li\n0.833387 0.750156 0.662200 Li\n0.333392 0.000033 0.662237 Li\n0.833434 0.250071 0.662206 Li\n0.166719 0.250051 0.500035 Li\n0.666715 0.500045 0.500042 Li\n0.166721 0.750058 0.500037 Li\n0.666709 0.000047 0.500039 Li\n0.167330 0.250302 0.176806 Li\n0.667262 0.499472 0.176790 Li\n0.167187 0.750215 0.176766 Li\n0.667288 0.999223 0.176795 Li\n0.166489 0.249341 0.825217 Li\n0.666620 0.500863 0.824963 Li\n0.166658 0.749383 0.825015 Li\n0.666558 0.001087 0.825106 Li\n0.332154 0.495598 0.991541 Ni\n0.831932 0.754752 0.991444 Ni\n0.331799 0.995534 0.991737 Ni\n0.831955 0.254439 0.991810 Ni\n0.165917 0.246639 0.955858 O\n0.666183 0.503450 0.955646 O\n0.166056 0.746662 0.955636 O\n0.665721 0.003698 0.955688 O\n0.333641 0.500005 0.462178 F\n0.833635 0.749979 0.462181 F\n0.333637 0.000002 0.462175 F\n0.833631 0.249980 0.462185 F\n0.333424 0.499364 0.786355 F\n0.833500 0.750880 0.786362 F\n0.333548 0.999545 0.786398 F\n0.833619 0.250706 0.786345 F\n0.334218 0.500281 0.140048 F\n0.834207 0.749270 0.139973 F\n0.334201 0.000285 0.140078 F\n0.834164 0.249215 0.140082 F\n0.166823 0.250082 0.300573 F\n0.666856 0.499888 0.300570 F\n0.166827 0.750088 0.300554 F\n0.666860 0.999858 0.300562 F\n0.166708 0.250009 0.624285 F\n0.666713 0.500100 0.624321 F\n0.166716 0.750023 0.624308 F\n0.666692 0.000104 0.624295 F\n",
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"elements": [
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"O",
"F"
],
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"volume": 531.6457332602569,
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"formula_full": "Li20 Ni4 O4 F20",
"formula_reduced": "Li5NiOF5",
"formula_anonymous": "ABC5D5",
"energy": -252.16501792000005,
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"updated_at": "2021-11-28T01:34:35.737000Z",
"spacegroup": 7
},
{
"id": "mp-753369",
"created_at": "2022-09-04T14:39:58.841171Z",
"structure_string": "Li4 V2 Si2 O8\n1.0\n5.801033 0.000000 0.000000\n0.000000 4.828909 0.000000\n0.000000 4.789342 6.326307\nLi V Si O\n4 2 2 8\ndirect\n0.854700 0.506753 0.002075 Li\n0.694339 0.764396 0.244126 Li\n0.145300 0.506753 0.502075 Li\n0.305661 0.764396 0.744126 Li\n0.348744 0.270404 0.260568 V\n0.651256 0.270404 0.760568 V\n0.165168 0.992919 0.999022 Si\n0.834832 0.992919 0.499022 Si\n0.319389 0.865180 0.214251 O\n0.700583 0.314187 0.282223 O\n0.838166 0.653585 0.496735 O\n0.102962 0.101176 0.502302 O\n0.680611 0.865180 0.714251 O\n0.299417 0.314187 0.782223 O\n0.897038 0.101176 0.002302 O\n0.161834 0.653585 0.996735 O\n",
"nsites": 16,
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"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.940462765026633,
"density_atomic": 0.09028495003600182,
"volume": 177.2166899756812,
"volume_molar": 6.6701490753427075,
"formula_full": "Li4 V2 Si2 O8",
"formula_reduced": "Li2VSiO4",
"formula_anonymous": "ABC2D4",
"energy": -117.73166008,
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"updated_at": "2021-11-28T01:35:05.018000Z",
"spacegroup": 7
},
{
"id": "mp-776546",
"created_at": "2022-09-04T14:40:54.107777Z",
"structure_string": "Li3 Fe6 O3 F15\n1.0\n4.572379 0.000000 0.000000\n0.204855 8.670665 0.000000\n0.119870 4.323366 7.543436\nLi Fe O F\n3 6 3 15\ndirect\n0.502537 0.336388 0.328836 Li\n0.002012 0.004104 0.994275 Li\n0.495455 0.664967 0.662199 Li\n0.985523 0.356815 0.007905 Fe\n0.517935 0.672392 0.005782 Fe\n0.983713 0.657742 0.357584 Fe\n0.513705 0.987894 0.321971 Fe\n0.515847 0.300585 0.691866 Fe\n0.985247 0.005893 0.656002 Fe\n0.739641 0.460252 0.103245 O\n0.734111 0.777510 0.435970 O\n0.767901 0.106112 0.769519 O\n0.765042 0.122380 0.107007 F\n0.263811 0.219344 0.214906 F\n0.741672 0.106543 0.435434 F\n0.767042 0.776054 0.117317 F\n0.260175 0.570620 0.223802 F\n0.264965 0.216307 0.558266 F\n0.234422 0.883433 0.223802 F\n0.741437 0.438253 0.456636 F\n0.256831 0.535951 0.564170 F\n0.252273 0.901357 0.541368 F\n0.235731 0.231430 0.893228 F\n0.736085 0.435292 0.785661 F\n0.737921 0.783390 0.773319 F\n0.255852 0.563849 0.891536 F\n0.243115 0.885144 0.878296 F\n",
"nsites": 27,
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"elements": [
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"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.824906256740693,
"density_atomic": 0.09028174101204268,
"volume": 299.063794044451,
"volume_molar": 6.6703861627975325,
"formula_full": "Li3 Fe6 O3 F15",
"formula_reduced": "LiFe2OF5",
"formula_anonymous": "ABC2D5",
"energy": -168.21764929999998,
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"updated_at": "2021-11-28T01:34:58.432000Z",
"spacegroup": 1
},
{
"id": "mp-1201581",
"created_at": "2022-09-04T14:47:18.093075Z",
"structure_string": "Tb16 Ni80 B40\n1.0\n9.022136 0.000000 0.000000\n0.000000 9.491213 0.000000\n0.000000 0.000000 17.591744\nTb Ni B\n16 80 40\ndirect\n0.124960 0.858107 0.278114 Tb\n0.375040 0.141893 0.778114 Tb\n0.624960 0.641893 0.721886 Tb\n0.875040 0.358107 0.221886 Tb\n0.875040 0.141893 0.721886 Tb\n0.624960 0.858107 0.221886 Tb\n0.375040 0.358107 0.278114 Tb\n0.124960 0.641893 0.778114 Tb\n0.218692 0.887071 0.479764 Tb\n0.281308 0.112929 0.979764 Tb\n0.718692 0.612929 0.520236 Tb\n0.781308 0.387071 0.020236 Tb\n0.781308 0.112929 0.520236 Tb\n0.718692 0.887071 0.020236 Tb\n0.281308 0.387071 0.479764 Tb\n0.218692 0.612929 0.979764 Tb\n0.121576 0.961273 0.727065 Ni\n0.378424 0.038727 0.227065 Ni\n0.621576 0.538727 0.272935 Ni\n0.878424 0.461273 0.772935 Ni\n0.878424 0.038727 0.272935 Ni\n0.621576 0.961273 0.772935 Ni\n0.378424 0.461273 0.727065 Ni\n0.121576 0.538727 0.227065 Ni\n0.126421 0.176267 0.237082 Ni\n0.373579 0.823733 0.737082 Ni\n0.626421 0.323733 0.762918 Ni\n0.873579 0.676267 0.262918 Ni\n0.873579 0.823733 0.762918 Ni\n0.626421 0.176267 0.262918 Ni\n0.373579 0.676267 0.237082 Ni\n0.126421 0.323733 0.737082 Ni\n0.078855 0.886485 0.015548 Ni\n0.421145 0.113515 0.515548 Ni\n0.578855 0.613515 0.984452 Ni\n0.921145 0.386485 0.484452 Ni\n0.921145 0.113515 0.984452 Ni\n0.578855 0.886485 0.484452 Ni\n0.421145 0.386485 0.015548 Ni\n0.078855 0.613515 0.515548 Ni\n0.161703 0.781216 0.627766 Ni\n0.338297 0.218784 0.127766 Ni\n0.661703 0.718784 0.372234 Ni\n0.838297 0.281216 0.872234 Ni\n0.838297 0.218784 0.372234 Ni\n0.661703 0.781216 0.872234 Ni\n0.338297 0.281216 0.627766 Ni\n0.161703 0.718784 0.127766 Ni\n0.176930 0.994320 0.131393 Ni\n0.323070 0.005680 0.631393 Ni\n0.676930 0.505680 0.868607 Ni\n0.823070 0.494320 0.368607 Ni\n0.823070 0.005680 0.868607 Ni\n0.676930 0.994320 0.368607 Ni\n0.323070 0.494320 0.131393 Ni\n0.176930 0.505680 0.631393 Ni\n0.230189 0.893044 0.865078 Ni\n0.269811 0.106956 0.365078 Ni\n0.730189 0.606956 0.134922 Ni\n0.769811 0.393044 0.634922 Ni\n0.769811 0.106956 0.134922 Ni\n0.730189 0.893044 0.634922 Ni\n0.269811 0.393044 0.865078 Ni\n0.230189 0.606956 0.365078 Ni\n0.089207 0.147032 0.849920 Ni\n0.410793 0.852968 0.349920 Ni\n0.589207 0.352968 0.150080 Ni\n0.910793 0.647032 0.650080 Ni\n0.910793 0.852968 0.150080 Ni\n0.589207 0.147032 0.650080 Ni\n0.410793 0.647032 0.849920 Ni\n0.089207 0.352968 0.349920 Ni\n0.043946 0.021467 0.596447 Ni\n0.456054 0.978533 0.096447 Ni\n0.543946 0.478533 0.403553 Ni\n0.956054 0.521467 0.903553 Ni\n0.956054 0.978533 0.403553 Ni\n0.543946 0.021467 0.903553 Ni\n0.456054 0.521467 0.596447 Ni\n0.043946 0.478533 0.096447 Ni\n0.044665 0.218043 0.098815 Ni\n0.455335 0.781957 0.598815 Ni\n0.544665 0.281957 0.901185 Ni\n0.955335 0.718043 0.401185 Ni\n0.955335 0.781957 0.901185 Ni\n0.544665 0.218043 0.401185 Ni\n0.455335 0.718043 0.098815 Ni\n0.044665 0.281957 0.598815 Ni\n0.081889 0.166709 0.468881 Ni\n0.418111 0.833291 0.968881 Ni\n0.581889 0.333291 0.531119 Ni\n0.918111 0.666709 0.031119 Ni\n0.918111 0.833291 0.531119 Ni\n0.581889 0.166709 0.031119 Ni\n0.418111 0.666709 0.468881 Ni\n0.081889 0.333291 0.968881 Ni\n0.976156 0.064525 0.176591 B\n0.523844 0.935475 0.676591 B\n0.476156 0.435475 0.823409 B\n0.023844 0.564525 0.323409 B\n0.023844 0.935475 0.823409 B\n0.476156 0.064525 0.323409 B\n0.523844 0.564525 0.176591 B\n0.976156 0.435475 0.676591 B\n0.167136 0.149805 0.666064 B\n0.332864 0.850195 0.166064 B\n0.667136 0.350195 0.333936 B\n0.832864 0.649805 0.833936 B\n0.832864 0.850195 0.333936 B\n0.667136 0.149805 0.833936 B\n0.332864 0.649805 0.666064 B\n0.167136 0.350195 0.166064 B\n0.046632 0.141949 0.344474 B\n0.453368 0.858051 0.844474 B\n0.546632 0.358051 0.655526 B\n0.953368 0.641949 0.155526 B\n0.953368 0.858051 0.655526 B\n0.546632 0.141949 0.155526 B\n0.453368 0.641949 0.344474 B\n0.046632 0.358051 0.844474 B\n0.213241 0.148287 0.561067 B\n0.286759 0.851713 0.061067 B\n0.713241 0.351713 0.438933 B\n0.786759 0.648287 0.938933 B\n0.786759 0.851713 0.438933 B\n0.713241 0.148287 0.938933 B\n0.286759 0.648287 0.561067 B\n0.213241 0.351713 0.061067 B\n0.038538 0.980763 0.918179 B\n0.461462 0.019237 0.418179 B\n0.538538 0.519237 0.081821 B\n0.961462 0.480763 0.581821 B\n0.961462 0.019237 0.081821 B\n0.538538 0.980763 0.581821 B\n0.461462 0.480763 0.918179 B\n0.038538 0.519237 0.418179 B\n",
"nsites": 136,
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],
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"volume": 1506.3988853853991,
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"formula_full": "Tb16 Ni80 B40",
"formula_reduced": "Tb2(Ni2B)5",
"formula_anonymous": "A2B5C10",
"energy": -866.3200899,
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"updated_at": "2021-11-28T01:38:03.324000Z",
"spacegroup": 61
},
{
"id": "mp-772444",
"created_at": "2022-09-04T14:46:35.218561Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.672049 0.000000 0.000000\n0.000000 8.644154 0.000000\n0.000000 0.410779 9.986839\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.248978 0.247097 0.627842 Na\n0.751022 0.247097 0.127842 Na\n0.506963 0.085063 0.872428 Li\n0.493037 0.085063 0.372428 Li\n0.722670 0.270716 0.615784 Li\n0.277330 0.270716 0.115784 Li\n0.776894 0.734058 0.885424 Li\n0.224452 0.736175 0.883686 Li\n0.775548 0.736175 0.383686 Li\n0.223106 0.734058 0.385424 Li\n0.988422 0.911378 0.628442 Li\n0.011578 0.911378 0.128442 Li\n0.002641 0.354812 0.886605 Mn\n0.997359 0.354812 0.386605 Mn\n0.497763 0.649957 0.610649 Mn\n0.502237 0.649957 0.110649 Mn\n0.505419 0.409922 0.852245 P\n0.494581 0.409922 0.352245 P\n0.993643 0.595142 0.642217 P\n0.006357 0.595142 0.142217 P\n0.998412 0.038465 0.865275 C\n0.001588 0.038465 0.365275 C\n0.509547 0.958095 0.639608 C\n0.490453 0.958095 0.139608 C\n0.534858 0.100898 0.672298 O\n0.465142 0.100898 0.172298 O\n0.996126 0.078933 0.988871 O\n0.003874 0.078933 0.488871 O\n0.000589 0.143897 0.768725 O\n0.999411 0.143897 0.268725 O\n0.320315 0.310245 0.897557 O\n0.688565 0.314988 0.904414 O\n0.311435 0.314988 0.404414 O\n0.679685 0.310245 0.397557 O\n0.513930 0.423167 0.695958 O\n0.978536 0.426861 0.593806 O\n0.486070 0.423167 0.195958 O\n0.021464 0.426861 0.093806 O\n0.497567 0.577314 0.903387 O\n0.998937 0.584471 0.799168 O\n0.502433 0.577314 0.403387 O\n0.001063 0.584471 0.299168 O\n0.815258 0.698438 0.592661 O\n0.181155 0.683405 0.587861 O\n0.818845 0.683405 0.087861 O\n0.184742 0.698438 0.092661 O\n0.493969 0.851653 0.735150 O\n0.506031 0.851653 0.235150 O\n0.498909 0.921313 0.515275 O\n0.501091 0.921313 0.015275 O\n0.998635 0.893534 0.834663 O\n0.001365 0.893534 0.334663 O\n",
"nsites": 52,
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"elements": [
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"C",
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],
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"density": 2.753412251965594,
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"volume": 575.9831401185227,
"volume_molar": 6.670483740731821,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
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"energy": -380.60565359,
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"updated_at": "2021-11-28T01:37:41.577000Z",
"spacegroup": 7
},
{
"id": "mp-6668",
"created_at": "2022-09-04T14:47:36.385593Z",
"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.442316 0.000000 0.000000\n0.000000 7.340006 0.000000\n0.000000 0.000000 7.495968\nLi Ti P O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.750000 0.280837 0.833194 Ti\n0.250000 0.719163 0.166806 Ti\n0.250000 0.780837 0.666806 Ti\n0.750000 0.219163 0.333194 Ti\n0.250000 0.374482 0.873793 P\n0.750000 0.625518 0.126207 P\n0.750000 0.874482 0.626207 P\n0.250000 0.125518 0.373793 P\n0.943387 0.749817 0.628552 O\n0.556613 0.750183 0.128552 O\n0.056613 0.249817 0.871448 O\n0.443387 0.250183 0.371448 O\n0.056613 0.250183 0.371448 O\n0.556613 0.749817 0.628552 O\n0.943387 0.750183 0.128552 O\n0.443387 0.249817 0.871448 O\n0.750000 0.152330 0.111920 O\n0.250000 0.847670 0.888080 O\n0.250000 0.652330 0.388080 O\n0.750000 0.347670 0.611920 O\n0.750000 0.001287 0.793061 O\n0.250000 0.998713 0.206939 O\n0.250000 0.501287 0.706939 O\n0.750000 0.498713 0.293061 O\n0.250000 0.487948 0.047492 O\n0.750000 0.512052 0.952508 O\n0.750000 0.987948 0.452508 O\n0.250000 0.012052 0.547492 O\n",
"nsites": 32,
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"elements": [
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"P",
"O"
],
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"density": 3.106503295159198,
"density_atomic": 0.090278392216815,
"volume": 354.4591259794254,
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"formula_full": "Li4 Ti4 P4 O20",
"formula_reduced": "LiTiPO5",
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