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{
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"results": [
{
"id": "mp-781683",
"created_at": "2022-09-04T14:44:11.994505Z",
"structure_string": "Li4 Fe4 P8 H4 O28\n1.0\n6.607403 -0.122464 0.008753\n-0.991956 -0.160245 10.695280\n0.626399 -7.478392 0.216903\nLi Fe P H O\n4 4 8 4 28\ndirect\n0.116309 0.537240 0.316128 Li\n0.116448 0.037277 0.816221 Li\n0.883625 0.462756 0.683870 Li\n0.883630 0.962728 0.183881 Li\n0.351519 0.692177 0.589071 Fe\n0.648603 0.307996 0.410707 Fe\n0.351493 0.191759 0.089473 Fe\n0.648372 0.807832 0.910728 Fe\n0.159090 0.773781 0.993990 P\n0.159108 0.273772 0.494005 P\n0.840944 0.226265 0.006000 P\n0.840891 0.726227 0.505977 P\n0.389548 0.410152 0.766459 P\n0.389625 0.910160 0.266454 P\n0.610404 0.589837 0.233532 P\n0.610429 0.089849 0.733578 P\n0.164433 0.579527 0.925919 H\n0.164509 0.079523 0.425872 H\n0.835510 0.420510 0.074074 H\n0.835504 0.920485 0.574121 H\n0.086933 0.628826 0.023017 O\n0.086964 0.128813 0.522953 O\n0.913024 0.371233 0.976959 O\n0.913016 0.871189 0.477009 O\n0.016268 0.145529 0.028699 O\n0.016222 0.645497 0.528592 O\n0.983776 0.854531 0.971355 O\n0.983782 0.354511 0.471359 O\n0.238296 0.801872 0.182771 O\n0.238250 0.301828 0.682794 O\n0.761793 0.198142 0.817220 O\n0.761686 0.698158 0.317200 O\n0.276379 0.529541 0.755329 O\n0.276457 0.029556 0.255411 O\n0.723598 0.470466 0.244637 O\n0.723532 0.970434 0.744652 O\n0.331527 0.793453 0.842499 O\n0.331577 0.293483 0.342542 O\n0.668478 0.206571 0.157472 O\n0.668461 0.706524 0.657461 O\n0.393653 0.361516 0.957262 O\n0.393708 0.861490 0.457246 O\n0.606307 0.638465 0.042703 O\n0.606310 0.138501 0.542770 O\n0.407074 0.581103 0.352108 O\n0.407114 0.081135 0.852213 O\n0.592895 0.418893 0.647862 O\n0.592929 0.918886 0.147847 O\n",
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"volume": 527.4725485453822,
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"formula_full": "Li4 Fe4 P8 H4 O28",
"formula_reduced": "LiFeP2HO7",
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"energy": -350.44380968,
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"updated_at": "2021-11-28T01:36:33.157000Z",
"spacegroup": 2
},
{
"id": "mp-1190586",
"created_at": "2022-09-04T14:44:12.012637Z",
"structure_string": "Na4 B4 H16\n1.0\n6.071878 0.000000 0.000000\n0.000000 6.071878 0.000000\n0.000000 0.000000 6.071878\nNa B H\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.000000 B\n0.500000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.383261 0.383261 0.616739 H\n0.383261 0.616739 0.383261 H\n0.616739 0.383261 0.383261 H\n0.616739 0.616739 0.616739 H\n0.616427 0.116400 0.883600 H\n0.116400 0.116400 0.383573 H\n0.116400 0.616427 0.883600 H\n0.616427 0.883600 0.116400 H\n0.116400 0.883600 0.616427 H\n0.116400 0.383573 0.116400 H\n0.383573 0.116400 0.116400 H\n0.883600 0.116400 0.616427 H\n0.883600 0.616427 0.116400 H\n0.383573 0.883600 0.883600 H\n0.883600 0.883600 0.383573 H\n0.883600 0.383573 0.883600 H\n",
"nsites": 24,
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"elements": [
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],
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"density": 1.1225491234432048,
"density_atomic": 0.10721168733436198,
"volume": 223.8561913977811,
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"formula_full": "Na4 B4 H16",
"formula_reduced": "NaBH4",
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"spacegroup": 215
},
{
"id": "mp-1568146",
"created_at": "2022-09-04T14:44:12.018076Z",
"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n5.116649 0.076337 0.000106\n-2.505307 4.462034 -0.000173\n0.000205 -0.000294 10.235839\nLi Mn Cr O\n4 4 2 12\ndirect\n0.126230 0.617765 0.747656 Li\n0.382264 0.873793 0.252339 Li\n0.626217 0.117756 0.752335 Li\n0.882338 0.373763 0.247641 Li\n0.164715 0.835294 0.499990 Mn\n0.338010 0.662171 0.999963 Mn\n0.664649 0.335379 0.999937 Mn\n0.837913 0.162060 0.499992 Mn\n0.997467 0.002207 0.000014 Cr\n0.497482 0.502263 0.500142 Cr\n0.001327 0.656656 0.099594 O\n0.955473 0.311594 0.888720 O\n0.188466 0.544463 0.388744 O\n0.455553 0.811542 0.611290 O\n0.165144 0.162454 0.595567 O\n0.337545 0.335047 0.095521 O\n0.665063 0.662490 0.904430 O\n0.343296 0.998660 0.900372 O\n0.837637 0.834904 0.404471 O\n0.501427 0.156587 0.400409 O\n0.843437 0.498601 0.599613 O\n0.688347 0.044552 0.111261 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.09335936608778699,
"volume": 235.64855806018565,
"volume_molar": 6.450494484224866,
"formula_full": "Li4 Mn4 Cr2 O12",
"formula_reduced": "Li2Mn2CrO6",
"formula_anonymous": "AB2C2D6",
"energy": -169.68659075,
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"spacegroup": 41
},
{
"id": "mp-1047248",
"created_at": "2022-09-04T14:44:12.691518Z",
"structure_string": "Zn2 Ag4 O8\n1.0\n-3.214607 3.214607 4.357878\n3.214607 -3.214607 4.357878\n3.214607 3.214607 -4.357878\nZn Ag O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Zn\n0.375000 0.625000 0.250000 Ag\n0.375000 0.125000 0.750000 Ag\n0.875000 0.625000 0.250000 Ag\n0.375000 0.625000 0.750000 Ag\n0.671277 0.868472 0.323174 O\n0.131528 0.454702 0.802804 O\n0.651897 0.328723 0.197196 O\n0.204702 0.901897 0.823174 O\n0.098103 0.921277 0.302804 O\n0.618472 0.795298 0.697196 O\n0.545298 0.348103 0.676826 O\n0.078723 0.381528 0.176826 O\n",
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"elements": [
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],
"chemical_system": "Ag-O-Zn",
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"density_atomic": 0.07772078963142305,
"volume": 180.13198355797073,
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"formula_full": "Zn2 Ag4 O8",
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"energy": -62.700331600000005,
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"updated_at": "2021-11-28T01:36:38.622000Z",
"spacegroup": 88
},
{
"id": "mp-1180838",
"created_at": "2022-09-04T14:44:12.000969Z",
"structure_string": "Na16 V8 Co8 F56\n1.0\n3.736139 6.420064 0.000000\n-3.736139 6.420064 0.000000\n0.000000 4.317963 24.580151\nNa V Co F\n16 8 8 56\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.778253 0.221747 0.250000 Na\n0.221747 0.778253 0.750000 Na\n0.786050 0.707370 0.251864 Na\n0.292630 0.213950 0.248136 Na\n0.213950 0.292630 0.748136 Na\n0.707370 0.786050 0.751864 Na\n0.134524 0.117687 0.121708 Na\n0.882313 0.865476 0.378292 Na\n0.865476 0.882313 0.878292 Na\n0.117687 0.134524 0.621708 Na\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.246671 0.753329 0.250000 V\n0.753329 0.246671 0.750000 V\n0.635538 0.111987 0.125766 V\n0.888013 0.364462 0.374234 V\n0.364462 0.888013 0.874234 V\n0.111987 0.635538 0.625766 V\n0.630914 0.614229 0.127668 Co\n0.385771 0.369086 0.372332 Co\n0.369086 0.385771 0.872332 Co\n0.614229 0.630914 0.627668 Co\n0.133537 0.613130 0.126206 Co\n0.386870 0.866463 0.373794 Co\n0.866463 0.386870 0.873794 Co\n0.613130 0.133537 0.626206 Co\n0.738516 0.585272 0.046937 F\n0.414728 0.261484 0.453063 F\n0.261484 0.414728 0.953063 F\n0.585272 0.738516 0.546937 F\n0.527040 0.636353 0.209374 F\n0.363647 0.472960 0.290626 F\n0.472960 0.363647 0.790626 F\n0.636353 0.527040 0.709374 F\n0.730302 0.301350 0.142216 F\n0.698650 0.269698 0.357784 F\n0.269698 0.698650 0.857784 F\n0.301350 0.730302 0.642216 F\n0.536350 0.925052 0.110291 F\n0.074948 0.463650 0.389709 F\n0.463650 0.074948 0.889709 F\n0.925052 0.536350 0.610291 F\n0.137912 0.584817 0.045608 F\n0.415183 0.862088 0.454392 F\n0.862088 0.415183 0.954392 F\n0.584817 0.137912 0.545608 F\n0.134166 0.633437 0.206239 F\n0.366563 0.865834 0.293761 F\n0.865834 0.366563 0.793761 F\n0.633437 0.134166 0.706239 F\n0.936545 0.924162 0.109177 F\n0.075838 0.063455 0.390823 F\n0.063455 0.075838 0.890823 F\n0.924162 0.936545 0.609177 F\n0.334205 0.302167 0.141690 F\n0.697833 0.665795 0.358310 F\n0.665795 0.697833 0.858310 F\n0.302167 0.334205 0.641690 F\n0.906493 0.537039 0.153870 F\n0.462961 0.093507 0.346130 F\n0.093507 0.462961 0.846130 F\n0.537039 0.906493 0.653870 F\n0.358000 0.692845 0.099642 F\n0.307155 0.642000 0.400358 F\n0.642000 0.307155 0.900358 F\n0.692845 0.358000 0.599642 F\n0.129828 0.205517 0.032713 F\n0.794483 0.870172 0.467287 F\n0.870172 0.794483 0.967287 F\n0.205517 0.129828 0.532713 F\n0.972570 0.862013 0.291018 F\n0.137987 0.027430 0.208982 F\n0.027430 0.137987 0.708982 F\n0.862013 0.972570 0.791018 F\n0.636909 0.030923 0.205765 F\n0.969077 0.363091 0.294235 F\n0.363091 0.969077 0.794235 F\n0.030923 0.636909 0.705765 F\n0.636288 0.188775 0.045573 F\n0.811225 0.363712 0.454427 F\n0.363712 0.811225 0.954427 F\n0.188775 0.636288 0.545573 F\n",
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"formula_full": "Na16 V8 Co8 F56",
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{
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"structure_string": "Nb6 Si1 Sn1\n1.0\n5.236963 0.000000 0.000000\n0.000000 5.236963 0.000000\n0.000000 0.000000 5.236963\nNb Si Sn\n6 1 1\ndirect\n0.000000 0.500000 0.758745 Nb\n0.500000 0.241255 0.000000 Nb\n0.758745 0.000000 0.500000 Nb\n0.000000 0.500000 0.241255 Nb\n0.500000 0.758745 0.000000 Nb\n0.241255 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Sn\n",
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"formula_full": "Nb6 Si1 Sn1",
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{
"id": "mp-867115",
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"structure_string": "Li1 Cd2 Rh1\n1.0\n0.000000 3.254353 3.254353\n3.254353 0.000000 3.254353\n3.254353 3.254353 0.000000\nLi Cd Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1112180",
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"structure_string": "K2 Sc1 In1 Cl6\n1.0\n0.000000 5.511803 5.511803\n5.511803 0.000000 5.511803\n5.511803 5.511803 0.000000\nK Sc In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 In\n0.773345 0.226655 0.226655 Cl\n0.226655 0.226655 0.773345 Cl\n0.226655 0.773345 0.773345 Cl\n0.226655 0.773345 0.226655 Cl\n0.773345 0.226655 0.773345 Cl\n0.773345 0.773345 0.226655 Cl\n",
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{
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