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{
"id": "mp-776308",
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"structure_string": "Li12 Co6 P16 O58\n1.0\n9.744453 -0.002409 -0.011401\n4.869821 8.397996 -0.016959\n-0.016705 -0.019227 13.848139\nLi Co P O\n12 6 16 58\ndirect\n0.051270 0.934914 0.513344 Li\n0.093086 0.227098 0.561560 Li\n0.094138 0.691008 0.062752 Li\n0.674684 0.088934 0.562311 Li\n0.322713 0.772171 0.934036 Li\n0.683116 0.226002 0.064475 Li\n0.329842 0.903543 0.434771 Li\n0.771484 0.314722 0.437076 Li\n0.666137 0.668622 0.120189 Li\n0.910720 0.310688 0.934921 Li\n0.770465 0.911397 0.935366 Li\n0.906661 0.762647 0.437958 Li\n0.997685 0.435006 0.749387 Co\n0.998785 0.566142 0.250048 Co\n0.433325 0.998546 0.250876 Co\n0.561615 0.001730 0.751565 Co\n0.431422 0.565606 0.746804 Co\n0.563441 0.439367 0.254634 Co\n0.091959 0.231436 0.338596 P\n0.231050 0.089343 0.841237 P\n0.092400 0.678362 0.839645 P\n0.334482 0.330681 0.135386 P\n0.337119 0.330494 0.629994 P\n0.224940 0.686500 0.336373 P\n0.328586 0.768285 0.156670 P\n0.674398 0.090840 0.340628 P\n0.320639 0.908803 0.658918 P\n0.672098 0.234592 0.839150 P\n0.768471 0.316689 0.657281 P\n0.663762 0.668086 0.872197 P\n0.668511 0.668360 0.372632 P\n0.903359 0.328135 0.159393 P\n0.765140 0.907375 0.159045 P\n0.906329 0.777001 0.658848 P\n0.001324 0.213518 0.247125 O\n0.979887 0.258212 0.065148 O\n0.083636 0.256427 0.842709 O\n0.203669 0.012572 0.744307 O\n0.232388 0.988363 0.565494 O\n0.257551 0.079439 0.339392 O\n0.101401 0.384485 0.327348 O\n0.192659 0.313189 0.657751 O\n0.105915 0.516109 0.822020 O\n0.980176 0.794783 0.567395 O\n0.998113 0.794110 0.750674 O\n0.080753 0.660466 0.337760 O\n0.331353 0.185097 0.180302 O\n0.381672 0.103691 0.825456 O\n0.178265 0.487047 0.166234 O\n0.344478 0.314716 0.026724 O\n0.351892 0.340359 0.521681 O\n0.318862 0.488000 0.676446 O\n0.515559 0.095457 0.331082 O\n0.494346 0.179828 0.665701 O\n0.255924 0.667138 0.839565 O\n0.205742 0.781042 0.237465 O\n0.263515 0.746572 0.062693 O\n0.206934 0.796426 0.418716 O\n0.383987 0.528886 0.334178 O\n0.483570 0.341123 0.169589 O\n0.339473 0.742238 0.662679 O\n0.511292 0.385330 0.823141 O\n0.656652 0.083390 0.839489 O\n0.240847 0.992591 0.926874 O\n0.752083 0.996564 0.067523 O\n0.782515 0.003573 0.247425 O\n0.340025 0.920123 0.159954 O\n0.496752 0.625071 0.180706 O\n0.656924 0.258052 0.340689 O\n0.507675 0.674987 0.836656 O\n0.614597 0.478798 0.668202 O\n0.773320 0.222525 0.568109 O\n0.752143 0.238844 0.931698 O\n0.789754 0.209264 0.750773 O\n0.737562 0.342425 0.164610 O\n0.510054 0.813992 0.333045 O\n0.479040 0.906014 0.670233 O\n0.675872 0.508759 0.340604 O\n0.672689 0.668421 0.981847 O\n0.671787 0.679056 0.481297 O\n0.809689 0.513203 0.833369 O\n0.622270 0.882155 0.176837 O\n0.670668 0.819158 0.836059 O\n0.916624 0.334889 0.656769 O\n0.006361 0.229000 0.429641 O\n0.880905 0.497108 0.177995 O\n0.817636 0.674893 0.333193 O\n0.908821 0.619138 0.666907 O\n0.736734 0.922898 0.664844 O\n0.766805 0.002082 0.429760 O\n0.919222 0.743221 0.158592 O\n0.001710 0.754253 0.931608 O\n",
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"elements": [
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],
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"volume": 1133.4056560311308,
"volume_molar": 7.419052607390883,
"formula_full": "Li12 Co6 P16 O58",
"formula_reduced": "Li6Co3P8O29",
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"energy": -652.93863192,
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"spacegroup": 1
},
{
"id": "mp-1101503",
"created_at": "2022-09-04T14:43:34.139478Z",
"structure_string": "Li4 V4 P16 O48\n1.0\n10.485558 0.000000 0.000000\n0.000000 9.098498 0.000000\n0.000000 0.161940 9.547510\nLi V P O\n4 4 16 48\ndirect\n0.184452 0.110475 0.749975 Li\n0.329475 0.381344 0.250492 Li\n0.829475 0.618656 0.749508 Li\n0.684452 0.889525 0.250025 Li\n0.287327 0.743198 0.262064 V\n0.787327 0.256802 0.737936 V\n0.711516 0.254010 0.237033 V\n0.211516 0.745990 0.762967 V\n0.888059 0.061136 0.454915 P\n0.517080 0.246160 0.518152 P\n0.611034 0.746436 0.549246 P\n0.981805 0.245014 0.014784 P\n0.887879 0.736811 0.052348 P\n0.893918 0.460819 0.466983 P\n0.017080 0.753840 0.481848 P\n0.388059 0.938864 0.545085 P\n0.605427 0.459796 0.954837 P\n0.393918 0.539181 0.533017 P\n0.111034 0.253564 0.450754 P\n0.612328 0.057613 0.965698 P\n0.387879 0.263189 0.947652 P\n0.481805 0.754986 0.985216 P\n0.105427 0.540204 0.045163 P\n0.112328 0.942387 0.034302 P\n0.131385 0.596038 0.898609 O\n0.533898 0.590550 0.569859 O\n0.121671 0.752024 0.375201 O\n0.209147 0.571817 0.151975 O\n0.709147 0.428183 0.848025 O\n0.277761 0.925029 0.648415 O\n0.374646 0.750695 0.881819 O\n0.448304 0.747335 0.139283 O\n0.428307 0.106503 0.542976 O\n0.372840 0.265343 0.101289 O\n0.052518 0.738224 0.635085 O\n0.074456 0.110177 0.048949 O\n0.470148 0.409201 0.897282 O\n0.948304 0.252665 0.860717 O\n0.552518 0.261776 0.364915 O\n0.862009 0.433556 0.621186 O\n0.621671 0.247976 0.624799 O\n0.489851 0.135591 0.905168 O\n0.989851 0.864409 0.094832 O\n0.635223 0.083328 0.121054 O\n0.219360 0.262176 0.352265 O\n0.280978 0.247939 0.848026 O\n0.006561 0.139802 0.382896 O\n0.362009 0.566444 0.378814 O\n0.086656 0.367446 0.048789 O\n0.872840 0.734657 0.898711 O\n0.862506 0.111183 0.601235 O\n0.298964 0.596133 0.636582 O\n0.410582 0.366196 0.556693 O\n0.721353 0.092500 0.868414 O\n0.574456 0.889823 0.951051 O\n0.780978 0.752061 0.151974 O\n0.221353 0.907500 0.131586 O\n0.874646 0.249305 0.118181 O\n0.033898 0.409450 0.430141 O\n0.928307 0.893497 0.457024 O\n0.135223 0.916672 0.878946 O\n0.719360 0.737824 0.647735 O\n0.798964 0.403867 0.363418 O\n0.362506 0.888817 0.398765 O\n0.910582 0.633804 0.443307 O\n0.123492 0.218850 0.601439 O\n0.631385 0.403962 0.101391 O\n0.506561 0.860198 0.617104 O\n0.623492 0.781150 0.398561 O\n0.586656 0.632554 0.951211 O\n0.777761 0.074971 0.351585 O\n0.970148 0.590799 0.102718 O\n",
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"volume": 910.8594590545473,
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"formula_full": "Li4 V4 P16 O48",
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"updated_at": "2021-11-28T01:36:20.083000Z",
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{
"id": "mp-1022060",
"created_at": "2022-09-04T14:41:52.837778Z",
"structure_string": "Mg12 Ti2 Co2\n1.0\n4.839632 0.000000 0.000000\n0.000000 5.852838 0.000000\n0.000000 0.000000 10.867431\nMg Ti Co\n12 2 2\ndirect\n0.500000 0.251296 0.422961 Mg\n0.500000 0.748704 0.422961 Mg\n0.000000 0.755077 0.085815 Mg\n0.000000 0.244923 0.085815 Mg\n0.000000 0.000000 0.314425 Mg\n0.000000 0.500000 0.325871 Mg\n0.500000 0.751296 0.922961 Mg\n0.500000 0.248704 0.922961 Mg\n0.000000 0.255077 0.585815 Mg\n0.000000 0.744923 0.585815 Mg\n0.000000 0.500000 0.814425 Mg\n0.000000 0.000000 0.825871 Mg\n0.500000 0.500000 0.173487 Ti\n0.500000 0.000000 0.673487 Ti\n0.500000 0.000000 0.168660 Co\n0.500000 0.500000 0.668660 Co\n",
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{
"id": "mp-1374435",
"created_at": "2022-09-04T14:41:20.213524Z",
"structure_string": "Ca11 Mn2 N10\n1.0\n5.316417 3.219517 0.000000\n-5.316417 3.219517 0.000000\n0.000000 0.109890 12.294324\nCa Mn N\n11 2 10\ndirect\n0.444161 0.002753 0.883274 Ca\n0.978324 0.591211 0.124132 Ca\n0.997494 0.385471 0.615528 Ca\n0.415202 0.415202 0.377403 Ca\n0.000975 0.611021 0.386081 Ca\n0.390465 0.390465 0.082962 Ca\n0.591211 0.978324 0.124132 Ca\n0.385471 0.997494 0.615528 Ca\n0.586264 0.586264 0.634644 Ca\n0.002753 0.444161 0.883274 Ca\n0.611021 0.000975 0.386081 Ca\n0.982205 0.982205 0.752623 Mn\n0.019250 0.019250 0.255430 Mn\n0.009442 0.723357 0.734661 N\n0.245125 0.245125 0.726282 N\n0.001573 0.287931 0.262700 N\n0.333776 0.666322 0.501838 N\n0.679983 0.302498 0.008361 N\n0.666322 0.333776 0.501838 N\n0.302498 0.679982 0.008361 N\n0.739645 0.739645 0.255821 N\n0.287931 0.001573 0.262700 N\n0.723357 0.009442 0.734661 N\n",
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{
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"structure_string": "Rb6 B2 P4\n1.0\n4.675377 4.847478 0.000000\n-4.675377 4.847478 0.000000\n0.000000 3.271181 8.848575\nRb B P\n6 2 4\ndirect\n0.345217 0.243474 0.980806 Rb\n0.756526 0.654783 0.519194 Rb\n0.654783 0.756526 0.019194 Rb\n0.243474 0.345217 0.480806 Rb\n0.155348 0.844652 0.750000 Rb\n0.844652 0.155348 0.250000 Rb\n0.216999 0.783001 0.250000 B\n0.783001 0.216999 0.750000 B\n0.343704 0.902132 0.353206 P\n0.097868 0.656296 0.146794 P\n0.902132 0.343704 0.853206 P\n0.656296 0.097868 0.646794 P\n",
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{
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"structure_string": "Zn4 Te4 H32 N16\n1.0\n11.609890 0.000000 0.000000\n0.000000 7.333749 0.000000\n0.000000 1.455317 7.358804\nZn Te H N\n4 4 32 16\ndirect\n0.263270 0.059620 0.900652 Zn\n0.763270 0.940380 0.099348 Zn\n0.329221 0.592067 0.673702 Zn\n0.829221 0.407933 0.326298 Zn\n0.255258 0.692038 0.966704 Te\n0.755258 0.307962 0.033296 Te\n0.376260 0.256763 0.628645 Te\n0.876260 0.743237 0.371355 Te\n0.293368 0.064872 0.246416 H\n0.793368 0.935128 0.753584 H\n0.281548 0.283408 0.135635 H\n0.781548 0.716592 0.864365 H\n0.470608 0.260109 0.022026 H\n0.970608 0.739891 0.977974 H\n0.463761 0.245042 0.245886 H\n0.963761 0.754958 0.754114 H\n0.038218 0.038699 0.888282 H\n0.538218 0.961301 0.111718 H\n0.069209 0.150583 0.055242 H\n0.569209 0.849417 0.944758 H\n0.978780 0.363596 0.861623 H\n0.478780 0.636404 0.138377 H\n0.115132 0.412779 0.807916 H\n0.615132 0.587221 0.192084 H\n0.449179 0.898092 0.565034 H\n0.949179 0.101908 0.434966 H\n0.488301 0.743289 0.436078 H\n0.988301 0.256711 0.563922 H\n0.568052 0.584607 0.743090 H\n0.068052 0.415393 0.256910 H\n0.643751 0.732157 0.593983 H\n0.143751 0.267843 0.406017 H\n0.133593 0.621294 0.483235 H\n0.633593 0.378706 0.516765 H\n0.240171 0.665174 0.336564 H\n0.740171 0.334826 0.663436 H\n0.183133 0.923621 0.554806 H\n0.683133 0.076379 0.445194 H\n0.108226 0.915198 0.369403 H\n0.608226 0.084802 0.630597 H\n0.321066 0.158022 0.132582 N\n0.821066 0.841978 0.867418 N\n0.444533 0.177078 0.142073 N\n0.944533 0.822922 0.857927 N\n0.087914 0.145155 0.921497 N\n0.587914 0.854845 0.078503 N\n0.051346 0.316674 0.803831 N\n0.551346 0.683326 0.196169 N\n0.470426 0.761539 0.567504 N\n0.970426 0.238461 0.432496 N\n0.572903 0.720819 0.678915 N\n0.072903 0.279181 0.321085 N\n0.210176 0.693068 0.458019 N\n0.710176 0.306932 0.541981 N\n0.188536 0.890490 0.428207 N\n0.688536 0.109510 0.571793 N\n",
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{
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"created_at": "2022-09-04T14:46:04.546900Z",
"structure_string": "K4 Si2 F12\n1.0\n2.868916 -4.969109 0.000000\n2.868916 4.969109 0.000000\n0.000000 0.000000 9.414461\nK Si F\n4 2 12\ndirect\n0.000000 0.000000 0.312357 K\n0.000000 0.000000 0.812357 K\n0.333333 0.666667 0.591651 K\n0.666667 0.333333 0.091651 K\n0.666667 0.333333 0.475671 Si\n0.333333 0.666667 0.975671 Si\n0.948045 0.474022 0.368780 F\n0.474022 0.948045 0.868780 F\n0.474022 0.525978 0.868780 F\n0.525978 0.474022 0.368780 F\n0.525978 0.051955 0.368780 F\n0.051955 0.525978 0.868780 F\n0.619283 0.809641 0.078307 F\n0.809641 0.619283 0.578307 F\n0.809641 0.190359 0.578307 F\n0.190359 0.809641 0.078307 F\n0.190359 0.380717 0.078307 F\n0.380717 0.190359 0.578307 F\n",
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