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{
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"results": [
{
"id": "jvasp-42466",
"created_at": "2022-09-04T14:38:31.388535Z",
"updated_at": "2022-09-04T14:38:31.388557Z",
"structure_string": "Li4 Fe3 Co3 Sn2 O16\n1.0\n5.753485 0.030634 -0.026297\n2.875918 4.983185 -0.023979\n0.056587 0.028446 9.519408\nLi Fe Co Sn O\n4 3 3 2 16\ndirect\n0.668379 0.668359 0.103627 Li\n0.000196 0.000178 0.005166 Li\n0.000424 0.000402 0.504487 Li\n0.335129 0.335106 0.607866 Li\n0.830707 0.830685 0.785154 Fe\n0.655399 0.175059 0.285250 Fe\n0.175078 0.655380 0.285250 Fe\n0.339088 0.831500 0.784725 Co\n0.168327 0.168307 0.285126 Co\n0.831521 0.339066 0.784725 Co\n0.666602 0.666581 0.507986 Sn\n0.331404 0.331382 0.004907 Sn\n0.154740 0.154717 0.897747 O\n0.687628 0.154148 0.894594 O\n0.331139 0.331119 0.391923 O\n0.032370 0.485750 0.169426 O\n0.485765 0.032351 0.169428 O\n0.843802 0.843785 0.394673 O\n0.515860 0.971134 0.668956 O\n0.516597 0.516575 0.668936 O\n0.313246 0.839536 0.395290 O\n-0.001749 -0.001767 0.193221 O\n0.999263 -0.000760 0.691839 O\n0.668273 0.668252 0.888512 O\n0.486221 0.486199 0.164503 O\n0.839561 0.313222 0.395290 O\n0.971156 0.515837 0.668955 O\n0.154167 0.687612 0.894593 O\n",
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"formula_full": "Li4 Fe3 Co3 Sn2 O16",
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{
"id": "jvasp-116515",
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"updated_at": "2022-09-04T14:38:31.920191Z",
"structure_string": "Li4 Nb3 Cr3 Ni2 O16\n1.0\n5.927971 -0.003925 0.058876\n2.904791 5.167498 0.058876\n0.077860 0.045517 9.716219\nLi Nb Cr Ni O\n4 3 3 2 16\ndirect\n0.338851 0.338852 0.099472 Li\n0.986752 0.986756 0.998210 Li\n0.968400 0.968402 0.509725 Li\n0.667817 0.667819 0.617414 Li\n0.171553 0.171554 0.783993 Nb\n0.837190 0.341040 0.287419 Nb\n0.341038 0.837191 0.287419 Nb\n0.171092 0.662145 0.786984 Cr\n0.830471 0.830473 0.283038 Cr\n0.662144 0.171094 0.786984 Cr\n0.339009 0.339010 0.518961 Ni\n0.669291 0.669294 0.995718 Ni\n0.839235 0.839238 0.887960 O\n0.838057 0.319640 0.897518 O\n0.669376 0.669378 0.405052 O\n0.519242 0.971931 0.162669 O\n0.971929 0.519244 0.162669 O\n0.162491 0.162492 0.403814 O\n0.034960 0.491490 0.663756 O\n0.482910 0.482911 0.672347 O\n0.157868 0.678663 0.394509 O\n-0.001311 -0.001310 0.180568 O\n0.999780 0.999783 0.685677 O\n0.334650 0.334652 0.898921 O\n0.517399 0.517401 0.165598 O\n0.678662 0.157869 0.394509 O\n0.491489 0.034961 0.663756 O\n0.319638 0.838059 0.897518 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09405007262113525,
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"volume_molar": 6.403121860691347,
"formula_full": "Li4 Nb3 Cr3 Ni2 O16",
"formula_reduced": "Li4Nb3Cr3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
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},
{
"id": "jvasp-116569",
"created_at": "2022-09-04T14:38:32.369133Z",
"updated_at": "2022-09-04T14:38:32.369156Z",
"structure_string": "Sr4 Er8 S16\n1.0\n3.950269 -0.000000 0.000000\n0.000000 11.944143 0.000000\n-0.000000 -0.000000 14.226682\nSr Er S\n4 8 16\ndirect\n0.250000 0.758300 0.337184 Sr\n0.250000 0.258300 0.162816 Sr\n0.750000 0.241700 0.662816 Sr\n0.750000 0.741700 0.837184 Sr\n0.750000 0.081258 0.399826 Er\n0.750000 0.581258 0.100174 Er\n0.250000 0.418742 0.899826 Er\n0.250000 0.918742 0.600174 Er\n0.750000 0.566417 0.610014 Er\n0.250000 0.933582 0.110014 Er\n0.250000 0.433582 0.389986 Er\n0.750000 0.066417 0.889986 Er\n0.250000 0.023745 0.283937 S\n0.250000 0.913082 0.921948 S\n0.250000 0.413082 0.578052 S\n0.750000 0.476255 0.783937 S\n0.750000 0.976254 0.716062 S\n0.250000 0.523745 0.216063 S\n0.750000 0.370518 0.027386 S\n0.250000 0.706859 0.672199 S\n0.250000 0.629482 0.972614 S\n0.250000 0.129482 0.527386 S\n0.750000 0.293141 0.327801 S\n0.750000 0.793141 0.172199 S\n0.750000 0.586918 0.421948 S\n0.250000 0.206859 0.827801 S\n0.750000 0.870518 0.472614 S\n0.750000 0.086918 0.078052 S\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.04171312648319851,
"volume": 671.2515306489439,
"volume_molar": 14.437040010476409,
"formula_full": "Sr4 Er8 S16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-112435",
"created_at": "2022-09-04T14:38:40.434478Z",
"updated_at": "2022-09-04T14:38:40.434497Z",
"structure_string": "Li4 Mn8 O12 F4\n1.0\n7.083596 0.014175 -3.215927\n-1.529904 5.290591 -5.494431\n0.073216 -0.014175 7.779085\nLi Mn O F\n4 8 12 4\ndirect\n0.275557 0.375140 0.900416 Li\n0.525278 0.624859 0.900416 Li\n0.978037 0.870090 0.107947 Li\n0.237857 0.129910 0.107946 Li\n0.025251 0.499999 0.525250 Mn\n0.869425 0.378715 0.005766 Mn\n0.869426 0.863659 0.490710 Mn\n0.627052 0.136342 0.005766 Mn\n0.739593 0.250266 0.489325 Mn\n0.239059 0.749733 0.489325 Mn\n0.475392 -0.000000 0.475391 Mn\n0.627052 0.621285 0.490710 Mn\n0.735547 0.500000 0.235546 O\n0.102398 0.840271 0.695118 O\n0.854848 0.592722 0.695119 O\n0.102397 0.407278 0.262125 O\n0.854848 0.159729 0.262126 O\n0.509137 0.266231 0.242905 O\n0.648154 0.911452 0.305881 O\n0.755277 -0.000000 0.755276 O\n0.648154 0.342272 0.736701 O\n0.394430 0.088548 0.736701 O\n0.394430 0.657728 0.305881 O\n0.976675 0.733769 0.242905 O\n0.011961 0.246245 0.765714 F\n0.267188 0.499999 0.767187 F\n0.519469 0.753754 0.765714 F\n0.236130 -0.000000 0.236130 F\n",
"nsites": 28,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
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"density_atomic": 0.09578562352947709,
"volume": 292.31944177283845,
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"formula_full": "Li4 Mn8 O12 F4",
"formula_reduced": "LiMn2O3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.349782180751232,
"spacegroup": 44
},
{
"id": "jvasp-116505",
"created_at": "2022-09-04T14:38:31.868281Z",
"updated_at": "2022-09-04T14:38:31.868318Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.324244 -0.062264 -2.155412\n0.575558 5.729890 -2.740785\n-0.107856 0.005320 7.521670\nLi Mn Co O\n8 2 4 14\ndirect\n0.216982 0.437792 0.145327 Li\n0.931881 0.864617 0.296431 Li\n0.634559 0.273845 0.426021 Li\n0.360080 0.720982 0.563178 Li\n0.067683 0.143753 0.706676 Li\n0.786925 0.568211 0.854940 Li\n0.500375 0.990833 0.006185 Li\n0.430086 0.861663 0.292080 Li\n0.008567 0.995012 0.003276 Mn\n0.708494 0.437454 0.144998 Mn\n0.570251 0.141597 0.712295 Co\n0.286431 0.572498 0.858626 Co\n0.143184 0.282555 0.427099 Co\n0.855615 0.715674 0.569375 Co\n0.105745 0.721587 0.057040 O\n0.880427 0.273970 0.933183 O\n0.603396 0.692015 0.065118 O\n0.295896 0.143044 0.207878 O\n0.018686 0.563087 0.358304 O\n0.746080 0.996094 0.515812 O\n0.443657 0.414002 0.644719 O\n0.165158 0.846101 0.789547 O\n0.560454 0.563934 0.355701 O\n0.259319 0.022396 0.508938 O\n0.984092 0.442675 0.639064 O\n0.693320 0.867823 0.781525 O\n0.408608 0.298884 0.929438 O\n0.834035 0.147911 0.207219 O\n",
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"elements": [
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],
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"density_atomic": 0.12256177903955758,
"volume": 228.45621383288525,
"volume_molar": 4.913555275708193,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-112004",
"created_at": "2022-09-04T14:38:41.607554Z",
"updated_at": "2022-09-04T14:38:41.607584Z",
"structure_string": "H10 C12 S2 N2 O2\n1.0\n3.900341 0.009693 -0.805156\n-1.060863 7.612435 -2.720235\n-0.146508 -0.031679 9.559693\nH C S N O\n10 12 2 2 2\ndirect\n0.579257 0.809193 0.910429 H\n0.079253 0.309193 0.410428 H\n0.269919 0.304896 0.857548 H\n0.769919 0.804898 0.357548 H\n0.323646 0.089384 0.012901 H\n0.823649 0.589385 0.512901 H\n0.354692 0.624553 0.748944 H\n0.854690 0.124552 0.248943 H\n0.797441 0.466843 0.783217 H\n0.297443 0.966844 0.283218 H\n0.509054 0.140430 0.504031 C\n0.009059 0.640430 0.004031 C\n0.107601 0.208071 0.305427 C\n0.607604 0.708071 0.805427 C\n0.635920 -0.003517 0.551354 C\n0.135923 0.496483 0.051354 C\n0.730887 0.837908 0.472535 C\n0.189491 0.293844 0.197518 C\n0.230887 0.337907 0.972534 C\n0.763337 0.722845 0.556574 C\n0.263336 0.222844 0.056574 C\n0.689492 0.793844 0.697519 C\n0.096424 0.504498 0.229633 S\n0.596422 0.004497 0.729632 S\n0.848123 0.596842 0.853139 N\n0.348120 0.096842 0.353140 N\n0.025191 0.791571 0.100679 O\n0.525181 0.291570 0.600679 O\n",
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"elements": [
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],
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"density_atomic": 0.0990523703151906,
"volume": 282.6787477261,
"volume_molar": 6.079754316668231,
"formula_full": "H10 C12 S2 N2 O2",
"formula_reduced": "H5C6SNO",
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},
{
"id": "jvasp-54512",
"created_at": "2022-09-04T14:38:30.723616Z",
"updated_at": "2022-09-04T14:38:30.723634Z",
"structure_string": "V2 Zn4 P4 O18\n1.0\n7.343873 -0.024106 -2.662191\n-3.726413 6.399095 -2.487118\n-0.014038 0.024106 7.811501\nV Zn P O\n2 4 4 18\ndirect\n0.000000 0.600511 0.600511 V\n0.000000 0.100511 0.100511 V\n0.263391 0.148342 0.648342 Zn\n0.500000 0.884949 0.148341 Zn\n0.500000 0.648341 0.384949 Zn\n0.736608 0.384949 0.884949 Zn\n0.500000 0.313865 0.427359 P\n0.886505 0.813865 0.313865 P\n0.500000 0.927359 0.813865 P\n0.113494 0.427360 0.927359 P\n0.037635 0.016618 0.324630 O\n0.287665 0.633987 0.133987 O\n0.308012 0.324629 0.286996 O\n0.500000 0.133988 0.846323 O\n0.308012 0.786995 0.824629 O\n0.691987 0.978982 0.016618 O\n0.500000 0.116904 0.323650 O\n0.712335 0.846322 0.346322 O\n0.962365 0.478983 0.786995 O\n0.037635 0.824629 0.516618 O\n0.000000 0.424239 0.424239 O\n0.691987 0.516618 0.478983 O\n0.793254 0.616903 0.116904 O\n0.962365 0.286996 0.978983 O\n0.500000 0.346323 0.633988 O\n0.000000 0.924239 0.924239 O\n0.206745 0.323651 0.823650 O\n0.500000 0.823650 0.616904 O\n",
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],
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"density_atomic": 0.07632910794674815,
"volume": 366.8325328724464,
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"formula_full": "V2 Zn4 P4 O18",
"formula_reduced": "VZn2P2O9",
"formula_anonymous": "AB2C2D9",
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"spacegroup": 108
},
{
"id": "jvasp-40692",
"created_at": "2022-09-04T14:38:30.770007Z",
"updated_at": "2022-09-04T14:38:30.770026Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.612330 -0.000000 0.000000\n-0.000000 6.239462 0.000000\n0.000000 0.000000 8.391250\nLi Mn P O\n4 4 4 16\ndirect\n0.750000 0.750028 0.916139 Li\n0.250000 0.749971 0.416139 Li\n0.750000 0.250029 0.583861 Li\n0.250000 0.249971 0.083861 Li\n0.250000 -0.000024 0.749984 Mn\n0.750000 0.500024 0.249984 Mn\n0.250000 0.499976 0.750016 Mn\n0.750000 0.000024 0.250016 Mn\n0.250000 0.250006 0.396181 P\n0.750000 0.249994 0.896181 P\n0.250000 0.750005 0.103819 P\n0.750000 0.749994 0.603819 P\n0.528156 0.249984 0.780941 O\n0.971844 0.249984 0.780941 O\n0.028156 0.250016 0.280941 O\n0.471844 0.250016 0.280941 O\n0.250000 0.453785 0.499022 O\n0.750000 0.453795 0.998997 O\n0.250000 0.546205 0.001003 O\n0.250000 0.953785 0.000978 O\n0.528156 0.749984 0.719059 O\n0.971844 0.749984 0.719059 O\n0.471844 0.750015 0.219059 O\n0.028156 0.750015 0.219059 O\n0.750000 0.046214 0.999022 O\n0.750000 0.953795 0.501003 O\n0.750000 0.546214 0.500978 O\n0.250000 0.046205 0.498997 O\n",
"nsites": 28,
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],
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"volume": 293.8441192403074,
"volume_molar": 6.3198951698691275,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-57445",
"created_at": "2022-09-04T14:38:32.065194Z",
"updated_at": "2022-09-04T14:38:32.065223Z",
"structure_string": "Mn4 V4 Ag4 O16\n1.0\n5.377234 0.000000 0.000000\n-0.000000 6.757470 0.000000\n0.000000 0.000000 9.572377\nMn V Ag O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.978199 0.750000 0.678105 V\n0.478200 0.250000 0.821895 V\n0.021800 0.250000 0.321895 V\n0.521799 0.750000 0.178105 V\n0.503102 0.750000 0.847254 Ag\n0.003102 0.250000 0.652747 Ag\n0.496898 0.250000 0.152747 Ag\n0.996897 0.750000 0.347254 Ag\n0.684848 0.548338 0.113517 O\n0.184848 0.451662 0.386483 O\n0.684848 0.951662 0.113517 O\n0.184848 0.048338 0.386483 O\n0.315152 0.451662 0.886483 O\n0.815151 0.548338 0.613517 O\n0.211394 0.750000 0.116691 O\n0.437437 0.250000 0.635188 O\n0.788605 0.250000 0.883309 O\n0.288606 0.750000 0.616691 O\n0.562562 0.750000 0.364813 O\n0.062563 0.250000 0.135188 O\n0.815151 0.951662 0.613517 O\n0.937436 0.750000 0.864813 O\n0.711394 0.250000 0.383309 O\n0.315152 0.048338 0.886483 O\n",
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],
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"volume": 347.8266523358786,
"volume_molar": 7.480932358736585,
"formula_full": "Mn4 V4 Ag4 O16",
"formula_reduced": "MnVAgO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-56694",
"created_at": "2022-09-04T14:38:33.512478Z",
"updated_at": "2022-09-04T14:38:33.512511Z",
"structure_string": "Ba2 Fe4 P4 O14 F4\n1.0\n4.587583 0.000000 0.000000\n0.000000 6.929157 0.000000\n0.000000 0.000000 11.844402\nBa Fe P O F\n2 4 4 14 4\ndirect\n0.381628 0.000000 0.000000 Ba\n0.618372 0.500000 0.500000 Ba\n0.000000 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 Fe\n0.000000 0.250000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.512426 0.000000 0.374871 P\n0.487574 0.500000 0.874871 P\n0.512426 0.000000 0.625129 P\n0.487574 0.500000 0.125129 P\n0.249347 0.000000 0.704195 O\n0.750652 0.500000 0.795805 O\n0.367339 0.000000 0.500000 O\n0.632660 0.500000 0.000000 O\n0.306432 0.684128 0.865838 O\n0.306432 0.315872 0.134162 O\n0.693567 0.184128 0.365838 O\n0.306432 0.315872 0.865838 O\n0.249347 0.000000 0.295805 O\n0.693567 0.815872 0.365838 O\n0.693567 0.815872 0.634162 O\n0.306432 0.684128 0.134162 O\n0.750652 0.500000 0.204195 O\n0.693567 0.184128 0.634162 O\n0.864244 0.000000 0.864552 F\n0.135755 0.500000 0.635448 F\n0.135755 0.500000 0.364552 F\n0.864244 0.000000 0.135448 F\n",
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"elements": [
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"Fe",
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