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{
"id": "mp-13718",
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"structure_string": "Na4 Cd16 P12 O48\n1.0\n6.785684 0.000000 0.000000\n0.000000 10.306029 0.000000\n0.000000 0.000000 15.294037\nNa Cd P O\n4 16 12 48\ndirect\n0.549116 0.723833 0.750000 Na\n0.049116 0.776167 0.750000 Na\n0.950884 0.223833 0.250000 Na\n0.450884 0.276167 0.250000 Na\n0.852886 0.559518 0.905247 Cd\n0.352886 0.940482 0.594753 Cd\n0.647114 0.059518 0.094753 Cd\n0.147114 0.440482 0.405247 Cd\n0.147114 0.440482 0.094753 Cd\n0.647114 0.059518 0.405247 Cd\n0.352886 0.940482 0.905247 Cd\n0.852886 0.559518 0.594753 Cd\n0.660816 0.659557 0.109153 Cd\n0.160816 0.840443 0.390847 Cd\n0.839184 0.159557 0.890847 Cd\n0.339184 0.340443 0.609153 Cd\n0.339184 0.340443 0.890847 Cd\n0.839184 0.159557 0.609153 Cd\n0.160816 0.840443 0.109153 Cd\n0.660816 0.659557 0.390847 Cd\n0.152076 0.133627 0.067164 P\n0.652076 0.366373 0.432836 P\n0.347924 0.633627 0.932836 P\n0.847924 0.866373 0.567164 P\n0.003417 0.412046 0.750000 P\n0.503417 0.087954 0.750000 P\n0.496583 0.912046 0.250000 P\n0.996583 0.587954 0.250000 P\n0.152076 0.133627 0.432836 P\n0.652076 0.366373 0.067164 P\n0.347924 0.633627 0.567164 P\n0.847924 0.866373 0.932836 P\n0.231653 0.390942 0.750000 O\n0.731653 0.109058 0.750000 O\n0.268347 0.890942 0.250000 O\n0.768347 0.609058 0.250000 O\n0.944808 0.557770 0.750000 O\n0.444808 0.942230 0.750000 O\n0.555192 0.057770 0.250000 O\n0.055192 0.442230 0.250000 O\n0.082498 0.645823 0.336096 O\n0.582498 0.854177 0.163904 O\n0.417502 0.145823 0.663904 O\n0.917502 0.354177 0.836096 O\n0.917502 0.354177 0.663904 O\n0.417502 0.145823 0.836096 O\n0.582498 0.854177 0.336096 O\n0.082498 0.645823 0.163904 O\n0.899788 0.787041 0.016911 O\n0.399788 0.712959 0.483089 O\n0.600212 0.287041 0.983089 O\n0.675550 0.966746 0.952390 O\n0.100212 0.212959 0.516911 O\n0.600212 0.287041 0.516911 O\n0.399788 0.712959 0.016911 O\n0.899788 0.787041 0.483089 O\n0.785727 0.769327 0.861193 O\n0.285727 0.730673 0.638807 O\n0.714273 0.269327 0.138807 O\n0.214273 0.230673 0.361193 O\n0.214273 0.230673 0.138807 O\n0.714273 0.269327 0.361193 O\n0.285727 0.730673 0.861193 O\n0.785727 0.769327 0.638807 O\n0.018785 0.954774 0.600142 O\n0.518785 0.545226 0.899858 O\n0.481215 0.454774 0.399858 O\n0.981215 0.045226 0.100142 O\n0.981215 0.045226 0.399858 O\n0.481215 0.454774 0.100142 O\n0.518785 0.545226 0.600142 O\n0.018785 0.954774 0.899858 O\n0.675550 0.966746 0.547610 O\n0.175550 0.533254 0.952390 O\n0.824450 0.466746 0.452390 O\n0.324450 0.033254 0.047610 O\n0.324450 0.033254 0.452390 O\n0.824450 0.466746 0.047610 O\n0.175550 0.533254 0.547610 O\n0.100212 0.212959 0.983089 O\n",
"nsites": 80,
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],
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"density": 4.704484411267197,
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"volume": 1069.564864960533,
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"formula_full": "Na4 Cd16 P12 O48",
"formula_reduced": "NaCd4(PO4)3",
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"spacegroup": 62
},
{
"id": "mp-1094340",
"created_at": "2022-09-04T14:40:25.697050Z",
"structure_string": "Mg1 Ti5\n1.0\n1.456678 -7.658583 0.000000\n1.456678 7.658583 0.000000\n0.000000 0.000000 4.820528\nMg Ti\n1 5\ndirect\n0.775966 0.224034 0.500000 Mg\n0.000323 0.999677 0.000000 Ti\n0.337841 0.662159 0.000000 Ti\n0.662070 0.337930 0.000000 Ti\n0.108480 0.891520 0.500000 Ti\n0.448653 0.551347 0.500000 Ti\n",
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"density": 4.0702755429616735,
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"volume": 107.5564823308932,
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"formula_full": "Mg1 Ti5",
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"updated_at": "2021-11-28T01:35:05.890000Z",
"spacegroup": 38
},
{
"id": "mp-19078",
"created_at": "2022-09-04T14:40:25.697018Z",
"structure_string": "Ba2 Sr1 W1 O6\n1.0\n5.282540 -3.108866 0.000000\n5.282540 3.108866 0.000000\n3.452918 0.000000 5.064349\nBa Sr W O\n2 1 1 6\ndirect\n0.746828 0.746828 0.746828 Ba\n0.253172 0.253172 0.253172 Ba\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 W\n0.660721 0.782256 0.285898 O\n0.217744 0.714102 0.339279 O\n0.782256 0.285898 0.660721 O\n0.285898 0.660721 0.782256 O\n0.714102 0.339279 0.217744 O\n0.339279 0.217744 0.714102 O\n",
"nsites": 10,
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],
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"formula_full": "Ba2 Sr1 W1 O6",
"formula_reduced": "Ba2SrWO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:34:49.458000Z",
"spacegroup": 148
},
{
"id": "mp-1184275",
"created_at": "2022-09-04T14:40:25.693909Z",
"structure_string": "Eu3 Mg1\n1.0\n5.271344 0.000000 0.000000\n0.000000 5.271344 0.000000\n0.000000 0.000000 5.271344\nEu Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.500000 Eu\n0.000000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 146.47519189339988,
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"formula_full": "Eu3 Mg1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:34:58.179000Z",
"spacegroup": 221
},
{
"id": "mp-763968",
"created_at": "2022-09-04T14:40:25.691523Z",
"structure_string": "Li4 V3 Ni3 Te2 O16\n1.0\n5.881938 0.000000 0.000000\n-2.936121 5.246706 0.000000\n-0.026286 -0.062427 10.229523\nLi V Ni Te O\n4 3 3 2 16\ndirect\n0.658815 0.316351 0.095149 Li\n0.005717 0.013516 0.014777 Li\n0.999809 0.002322 0.504609 Li\n0.338917 0.670087 0.595765 Li\n0.841029 0.196635 0.779571 V\n0.341427 0.185249 0.778075 V\n0.179091 0.358997 0.265863 V\n0.831230 0.668584 0.794876 Ni\n0.658538 0.828138 0.284510 Ni\n0.169962 0.828479 0.284924 Ni\n0.670814 0.338894 0.485384 Te\n0.353940 0.707655 0.003775 Te\n0.836191 0.167570 0.395690 O\n0.527137 0.025066 0.680274 O\n0.670217 0.315239 0.892437 O\n0.992858 0.003514 0.692468 O\n0.013771 0.027489 0.199662 O\n0.332109 0.167319 0.396989 O\n0.985791 0.470380 0.682075 O\n0.484154 0.468440 0.685434 O\n0.133039 0.288747 0.889361 O\n0.836765 0.673442 0.401645 O\n0.468243 0.485791 0.168791 O\n0.016306 0.485837 0.169846 O\n0.311856 0.622827 0.389668 O\n0.682978 0.857568 0.908497 O\n0.479098 0.959388 0.146995 O\n0.180496 0.866478 0.905051 O\n",
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"density": 4.564947260609245,
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"volume": 315.69125722210043,
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"formula_full": "Li4 V3 Ni3 Te2 O16",
"formula_reduced": "Li4V3Ni3(TeO8)2",
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"spacegroup": 1
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{
"id": "mp-770930",
"created_at": "2022-09-04T14:40:25.686008Z",
"structure_string": "Nb2 V6 O16\n1.0\n2.960312 -5.299303 0.000000\n2.960312 5.299303 0.000000\n0.000000 0.000000 9.331945\nNb V O\n2 6 16\ndirect\n0.671089 0.328911 0.501260 Nb\n0.328911 0.671089 0.001260 Nb\n0.337974 0.171772 0.781360 V\n0.828228 0.662026 0.781360 V\n0.830671 0.169329 0.792197 V\n0.169329 0.830671 0.292197 V\n0.171772 0.337974 0.281360 V\n0.662026 0.828228 0.281360 V\n0.340302 0.171173 0.399387 O\n0.522083 0.477917 0.663006 O\n0.652872 0.347128 0.893510 O\n0.008194 0.991806 0.696502 O\n0.991806 0.008194 0.196502 O\n0.828827 0.659698 0.399387 O\n0.512053 0.047573 0.665075 O\n0.952427 0.487947 0.665075 O\n0.169939 0.830061 0.901199 O\n0.830061 0.169939 0.401199 O\n0.047573 0.512053 0.165075 O\n0.487947 0.952427 0.165075 O\n0.347128 0.652872 0.393510 O\n0.171173 0.340302 0.899387 O\n0.477917 0.522083 0.163006 O\n0.659698 0.828827 0.899387 O\n",
"nsites": 24,
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{
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"created_at": "2022-09-04T14:40:25.684882Z",
"structure_string": "Lu1 Co3 B2\n1.0\n2.469652 -4.277562 0.000000\n2.469652 4.277562 0.000000\n0.000000 0.000000 3.023016\nLu Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n",
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{
"id": "mp-1262752",
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"structure_string": "Zn6 Co4 Si8 O28\n1.0\n3.793736 8.448078 0.000000\n-3.793736 8.448078 0.000000\n0.000000 5.415346 8.185445\nZn Co Si O\n6 4 8 28\ndirect\n0.069501 0.263847 0.110161 Zn\n0.736153 0.930499 0.389839 Zn\n0.263847 0.069501 0.610161 Zn\n0.387887 0.612113 0.750000 Zn\n0.930499 0.736153 0.889839 Zn\n0.612113 0.387887 0.250000 Zn\n0.789308 0.210692 0.750000 Co\n0.210692 0.789308 0.250000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.541264 0.089055 0.707808 Si\n0.089055 0.541264 0.207808 Si\n0.521349 0.240503 0.101847 Si\n0.240503 0.521349 0.601847 Si\n0.910945 0.458736 0.792192 Si\n0.478651 0.759497 0.898153 Si\n0.759497 0.478651 0.398153 Si\n0.458736 0.910945 0.292192 Si\n0.832577 0.301983 0.328696 O\n0.970248 0.889529 0.411759 O\n0.450184 0.642784 0.092519 O\n0.889529 0.970248 0.911759 O\n0.237013 0.984394 0.304170 O\n0.057374 0.515820 0.622808 O\n0.642784 0.450184 0.592519 O\n0.015606 0.762987 0.195830 O\n0.942626 0.484180 0.377192 O\n0.623620 0.681540 0.273616 O\n0.029752 0.110471 0.588241 O\n0.762987 0.015606 0.695830 O\n0.484180 0.942626 0.877192 O\n0.301983 0.832577 0.828696 O\n0.681540 0.623620 0.773616 O\n0.984394 0.237013 0.804170 O\n0.912013 0.487980 0.942336 O\n0.376380 0.318460 0.726384 O\n0.512020 0.087987 0.557664 O\n0.318460 0.376380 0.226384 O\n0.515820 0.057374 0.122808 O\n0.110471 0.029752 0.088241 O\n0.487980 0.912013 0.442336 O\n0.549816 0.357216 0.907481 O\n0.087987 0.512020 0.057664 O\n0.357216 0.549816 0.407481 O\n0.698017 0.167423 0.171304 O\n0.167423 0.698017 0.671304 O\n",
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{
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{
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{
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{
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}