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{
"id": "mp-1102690",
"created_at": "2022-09-04T14:40:52.368067Z",
"structure_string": "Mn4 Ni4 P4\n1.0\n5.843183 0.000000 0.000000\n0.000000 3.436711 0.000000\n0.000000 0.000000 6.751569\nMn Ni P\n4 4 4\ndirect\n0.031371 0.250000 0.158764 Mn\n0.531371 0.250000 0.341236 Mn\n0.968629 0.750000 0.841236 Mn\n0.468629 0.750000 0.658764 Mn\n0.139285 0.250000 0.564525 Ni\n0.639285 0.250000 0.935475 Ni\n0.860715 0.750000 0.435475 Ni\n0.360715 0.750000 0.064525 Ni\n0.759005 0.250000 0.629532 P\n0.259005 0.250000 0.870468 P\n0.240995 0.750000 0.370468 P\n0.740995 0.750000 0.129532 P\n",
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{
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"created_at": "2022-09-04T14:48:19.387444Z",
"structure_string": "Cr4 C6 N12\n1.0\n9.524782 -2.764319 0.000000\n9.524782 2.764319 0.000000\n8.722510 0.000000 4.720248\nCr C N\n4 6 12\ndirect\n0.334961 0.334961 0.334961 Cr\n0.834961 0.834961 0.834961 Cr\n0.665039 0.665039 0.665039 Cr\n0.165039 0.165039 0.165039 Cr\n0.932603 0.567397 0.250000 C\n0.250000 0.932603 0.567397 C\n0.567397 0.250000 0.932603 C\n0.750000 0.067397 0.432603 C\n0.432603 0.750000 0.067397 C\n0.067397 0.432603 0.750000 C\n0.842090 0.079759 0.456796 N\n0.456796 0.842090 0.079759 N\n0.079759 0.456796 0.842090 N\n0.956796 0.579759 0.342090 N\n0.342090 0.956796 0.579759 N\n0.579759 0.342090 0.956796 N\n0.157910 0.920241 0.543204 N\n0.543204 0.157910 0.920241 N\n0.920241 0.543204 0.157910 N\n0.043204 0.420241 0.657910 N\n0.657910 0.043204 0.420241 N\n0.420241 0.657910 0.043204 N\n",
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"updated_at": "2021-11-28T01:39:28.497000Z",
"spacegroup": 167
},
{
"id": "mp-770999",
"created_at": "2022-09-04T14:46:10.769584Z",
"structure_string": "Li4 Nb3 V3 Ni2 O16\n1.0\n3.044474 5.257900 0.000000\n-3.044474 5.257900 0.000000\n0.000000 0.067759 9.881362\nLi Nb V Ni O\n4 3 3 2 16\ndirect\n0.666072 0.666072 0.900273 Li\n0.005995 0.005995 0.003446 Li\n0.012102 0.012102 0.492080 Li\n0.332610 0.332610 0.382510 Li\n0.828899 0.828899 0.218758 Nb\n0.660462 0.163988 0.714985 Nb\n0.163988 0.660462 0.714985 Nb\n0.826924 0.339439 0.212143 V\n0.339439 0.826924 0.212143 V\n0.168071 0.168071 0.711941 V\n0.659710 0.659710 0.480589 Ni\n0.327284 0.327284 0.007753 Ni\n0.839718 0.316906 0.606993 O\n0.517474 0.517474 0.331432 O\n0.673525 0.673525 0.098398 O\n0.997800 0.997800 0.313789 O\n0.997075 0.997075 0.817626 O\n0.316906 0.839718 0.606993 O\n0.964669 0.518112 0.336476 O\n0.518112 0.964669 0.336476 O\n0.158503 0.158503 0.109515 O\n0.840359 0.840359 0.600620 O\n0.486794 0.032918 0.831558 O\n0.032918 0.486794 0.831558 O\n0.338986 0.338986 0.597446 O\n0.677051 0.158333 0.103306 O\n0.483929 0.483929 0.829974 O\n0.158333 0.677051 0.103306 O\n",
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"formula_full": "Li4 Nb3 V3 Ni2 O16",
"formula_reduced": "Li4Nb3V3(NiO8)2",
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{
"id": "mp-775336",
"created_at": "2022-09-04T14:45:09.215114Z",
"structure_string": "Li4 V2 Co3 Sb3 O16\n1.0\n3.049078 5.326661 0.000000\n-3.049078 5.326661 0.000000\n0.000000 0.154694 9.738935\nLi V Co Sb O\n4 2 3 3 16\ndirect\n0.669635 0.669635 0.113296 Li\n0.978303 0.978303 0.019417 Li\n0.993923 0.993923 0.492112 Li\n0.324499 0.324499 0.596616 Li\n0.678353 0.678353 0.500002 V\n0.347294 0.347294 0.024382 V\n0.829110 0.829110 0.784533 Co\n0.192648 0.658257 0.283385 Co\n0.658257 0.192648 0.283385 Co\n0.333908 0.828882 0.784804 Sb\n0.828882 0.333908 0.784804 Sb\n0.176625 0.176625 0.286640 Sb\n0.340529 0.844729 0.407242 O\n0.513667 0.513667 0.661414 O\n0.656332 0.656332 0.897101 O\n0.003812 0.003812 0.679727 O\n0.008230 0.008230 0.202156 O\n0.844729 0.340529 0.407242 O\n0.505928 0.955130 0.660350 O\n0.955130 0.505928 0.660350 O\n0.156563 0.156563 0.896661 O\n0.822957 0.822957 0.418680 O\n0.040332 0.476383 0.155470 O\n0.476383 0.040332 0.155470 O\n0.332354 0.332354 0.396538 O\n0.166412 0.680274 0.896419 O\n0.486606 0.486606 0.147187 O\n0.680274 0.166412 0.896419 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Li-O-Sb-V",
"density": 4.869670203510926,
"density_atomic": 0.08851012941761983,
"volume": 316.3479726471398,
"volume_molar": 6.803900072934662,
"formula_full": "Li4 V2 Co3 Sb3 O16",
"formula_reduced": "Li4V2Co3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -189.8995863,
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"updated_at": "2021-11-28T01:36:48.607000Z",
"spacegroup": 8
},
{
"id": "mp-1273579",
"created_at": "2022-09-04T14:41:35.100772Z",
"structure_string": "Na8 Fe4 O12\n1.0\n2.684717 4.644571 -0.005711\n-8.081527 4.660587 0.024618\n-1.840996 0.005487 5.423135\nNa Fe O\n8 4 12\ndirect\n0.754874 0.251976 0.499239 Na\n0.254901 0.751864 0.499466 Na\n0.999745 0.999867 0.000133 Na\n0.499721 0.499831 0.000205 Na\n0.235006 0.079432 0.501424 Na\n0.735053 0.579493 0.501404 Na\n0.261550 0.419416 0.499451 Na\n0.761544 0.919295 0.499422 Na\n0.501309 0.833840 0.999980 Fe\n0.999575 0.667143 0.000103 Fe\n0.001359 0.333923 0.999858 Fe\n0.499684 0.167017 0.000182 Fe\n0.661515 0.349633 0.794529 O\n0.161549 0.849599 0.794592 O\n0.855608 0.156720 0.203645 O\n0.355646 0.656661 0.203796 O\n0.337047 0.279386 0.205353 O\n0.837040 0.779407 0.205401 O\n0.913709 0.458160 0.198795 O\n0.413691 0.957990 0.198843 O\n0.143103 0.227240 0.800191 O\n0.643026 0.727159 0.800188 O\n0.586852 0.027362 0.796962 O\n0.086891 0.527587 0.796838 O\n",
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"volume": 271.1551894607614,
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"formula_full": "Na8 Fe4 O12",
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"energy": -143.09014186000002,
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{
"id": "mp-1379379",
"created_at": "2022-09-04T14:39:32.668922Z",
"structure_string": "Ti12 Zn6 O24\n1.0\n2.984987 5.351008 0.000000\n-2.984987 5.351008 0.000000\n0.000000 0.131329 14.854135\nTi Zn O\n12 6 24\ndirect\n0.810488 0.344528 0.836998 Ti\n0.502355 0.502355 0.620368 Ti\n0.494970 0.494970 0.008168 Ti\n0.344528 0.810488 0.836998 Ti\n0.514599 0.987056 0.500040 Ti\n0.168170 0.168170 0.288548 Ti\n0.987056 0.514599 0.500040 Ti\n0.192810 0.648324 0.159634 Ti\n0.830898 0.830898 0.715604 Ti\n0.648324 0.192810 0.159634 Ti\n0.496208 0.496208 0.376608 Ti\n0.159946 0.159946 0.035827 Ti\n0.831426 0.831426 0.960885 Zn\n0.166863 0.166863 0.668288 Zn\n0.330644 0.330644 0.836721 Zn\n0.839675 0.839675 0.329051 Zn\n0.001958 0.001958 0.499444 Zn\n0.675918 0.675918 0.165847 Zn\n0.659461 0.192075 0.915859 O\n0.505408 0.505408 0.748760 O\n0.192075 0.659461 0.915859 O\n0.656347 0.656347 0.917596 O\n0.330121 0.848819 0.579659 O\n0.000944 0.000944 0.755338 O\n0.172676 0.172676 0.416462 O\n0.485897 0.998579 0.754971 O\n0.848819 0.330121 0.579659 O\n0.160630 0.160630 0.909503 O\n0.332156 0.332156 0.578467 O\n0.998579 0.485897 0.754971 O\n0.006725 0.509052 0.247539 O\n0.663486 0.663486 0.419280 O\n0.152693 0.669049 0.419780 O\n0.509052 0.006725 0.247539 O\n0.842482 0.842482 0.094750 O\n0.828994 0.828994 0.586795 O\n0.002506 0.002506 0.245055 O\n0.669049 0.152693 0.419780 O\n0.324583 0.324583 0.078346 O\n0.824123 0.338697 0.084061 O\n0.499982 0.499982 0.247359 O\n0.338697 0.824123 0.084061 O\n",
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{
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"structure_string": "Hf1 Mg6 Al1 O8\n1.0\n4.179450 0.000000 0.000000\n0.000000 4.179450 0.000000\n0.000000 0.000000 10.348726\nHf Mg Al O\n1 6 1 8\ndirect\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.221545 Mg\n0.000000 0.500000 0.778455 Mg\n0.500000 0.000000 0.221545 Mg\n0.500000 0.000000 0.778455 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.176868 O\n0.000000 0.000000 0.823133 O\n0.500000 0.500000 0.220478 O\n0.500000 0.500000 0.779522 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Zn1 Fe5 O8\n1.0\n0.000000 4.292408 4.292408\n4.292408 0.000000 4.292408\n4.292408 4.292408 0.000000\nZn Fe O\n1 5 8\ndirect\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Fe\n0.875114 0.374659 0.875114 Fe\n0.374659 0.875114 0.875114 Fe\n0.875114 0.875114 0.374659 Fe\n0.875114 0.875114 0.875114 Fe\n0.637649 0.637649 0.637649 O\n0.087054 0.637649 0.637649 O\n0.637649 0.637649 0.087054 O\n0.637649 0.087054 0.637649 O\n0.114724 0.655829 0.114724 O\n0.114724 0.114724 0.655829 O\n0.655829 0.114724 0.114724 O\n0.114724 0.114724 0.114724 O\n",
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{
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{
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