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{
"id": "mp-725054",
"created_at": "2022-09-04T14:47:59.952942Z",
"structure_string": "Li2 Ti4 P6 O24\n1.0\n8.445624 0.000000 0.000000\n-4.179746 7.349355 0.000000\n-0.027822 -4.835154 7.514165\nLi Ti P O\n2 4 6 24\ndirect\n0.076213 0.107507 0.141332 Li\n0.923787 0.892493 0.858668 Li\n0.363063 0.588806 0.063460 Ti\n0.851280 0.580317 0.567625 Ti\n0.148720 0.419683 0.432375 Ti\n0.636937 0.411194 0.936540 Ti\n0.753692 0.720439 0.251611 P\n0.031136 0.293120 0.243738 P\n0.534030 0.002252 0.747765 P\n0.465970 0.997748 0.252235 P\n0.968864 0.706880 0.756262 P\n0.246308 0.279561 0.748389 P\n0.105186 0.449748 0.277468 O\n0.504394 0.133846 0.105509 O\n0.552018 0.638702 0.189291 O\n0.788621 0.068847 0.101424 O\n0.854358 0.461994 0.075062 O\n0.384188 0.230774 0.567917 O\n0.910101 0.619370 0.285133 O\n0.774419 0.570918 0.421130 O\n0.186308 0.305774 0.212234 O\n0.980303 0.960435 0.407838 O\n0.528129 0.749368 0.795919 O\n0.262687 0.848335 0.261147 O\n0.737313 0.151665 0.738853 O\n0.471871 0.250632 0.204081 O\n0.019697 0.039565 0.592162 O\n0.813692 0.694226 0.787766 O\n0.225581 0.429082 0.578870 O\n0.089899 0.380630 0.714867 O\n0.615812 0.769226 0.432083 O\n0.145642 0.538006 0.924938 O\n0.211379 0.931153 0.898576 O\n0.447982 0.361298 0.810709 O\n0.495606 0.866154 0.894491 O\n0.894814 0.550252 0.722532 O\n",
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{
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"structure_string": "Li2 Ti4 P6 O24\n1.0\n8.445624 0.000000 0.000000\n-4.179746 7.349355 0.000000\n-0.027822 -4.835154 7.514165\nLi Ti P O\n2 4 6 24\ndirect\n0.076213 0.248839 0.141332 Li\n0.923787 0.751161 0.858668 Li\n0.363063 0.652266 0.063460 Ti\n0.851280 0.147942 0.567625 Ti\n0.148720 0.852058 0.432375 Ti\n0.636937 0.347734 0.936540 Ti\n0.753692 0.972050 0.251611 P\n0.031136 0.536857 0.243738 P\n0.534030 0.750017 0.747765 P\n0.465970 0.249983 0.252235 P\n0.968864 0.463143 0.756262 P\n0.246308 0.027950 0.748389 P\n0.105186 0.727216 0.277468 O\n0.504394 0.239355 0.105509 O\n0.552018 0.827993 0.189291 O\n0.788621 0.170271 0.101424 O\n0.854358 0.537056 0.075062 O\n0.384188 0.798691 0.567917 O\n0.910101 0.904504 0.285133 O\n0.774419 0.992048 0.421130 O\n0.186308 0.518008 0.212234 O\n0.980303 0.368272 0.407838 O\n0.528129 0.545287 0.795919 O\n0.262687 0.109482 0.261147 O\n0.737313 0.890518 0.738853 O\n0.471871 0.454713 0.204081 O\n0.019697 0.631728 0.592162 O\n0.813692 0.481992 0.787766 O\n0.225581 0.007952 0.578870 O\n0.089899 0.095496 0.714867 O\n0.615812 0.201309 0.432083 O\n0.145642 0.462944 0.924938 O\n0.211379 0.829729 0.898576 O\n0.447982 0.172007 0.810709 O\n0.495606 0.760645 0.894491 O\n0.894814 0.272784 0.722532 O\n",
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"formula_full": "Li2 Ti4 P6 O24",
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{
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"structure_string": "Li2 Ti4 P6 O24\n1.0\n7.511037 -0.007340 -3.974292\n4.782430 6.960987 -0.039775\n-0.018898 0.030284 8.935373\nLi Ti P O\n2 4 6 24\ndirect\n0.609828 0.313959 0.858668 Li\n0.390172 0.686041 0.141332 Li\n0.284274 0.352662 0.936540 Ti\n0.284432 0.864288 0.432375 Ti\n0.715568 0.135712 0.567625 Ti\n0.715726 0.647338 0.063460 Ti\n0.776339 0.469969 0.748389 P\n0.219405 0.749459 0.756262 P\n0.502218 0.963752 0.252235 P\n0.497782 0.036248 0.747765 P\n0.780595 0.250541 0.243738 P\n0.223661 0.530031 0.251611 P\n0.995316 0.899498 0.722532 O\n0.655136 0.840469 0.894491 O\n0.982716 0.465266 0.810709 O\n0.728306 0.483073 0.898576 O\n0.387882 0.757760 0.924938 O\n0.633392 0.982419 0.432083 O\n0.810363 0.279537 0.714867 O\n0.586823 0.638758 0.578870 O\n0.269758 0.543934 0.787766 O\n0.223890 0.795806 0.592162 O\n0.658794 0.813077 0.204081 O\n0.629371 0.107942 0.738853 O\n0.370629 0.892058 0.261147 O\n0.341206 0.186923 0.795919 O\n0.776110 0.204194 0.407838 O\n0.730242 0.456066 0.212234 O\n0.413177 0.361242 0.421130 O\n0.189637 0.720463 0.285133 O\n0.366608 0.017581 0.567917 O\n0.612118 0.242240 0.075062 O\n0.271694 0.516927 0.101424 O\n0.017284 0.534734 0.189291 O\n0.344864 0.159531 0.105509 O\n0.004684 0.100502 0.277468 O\n",
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"formula_full": "Li2 Ti4 P6 O24",
"formula_reduced": "LiTi2(PO4)3",
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"spacegroup": 2
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{
"id": "mp-13146",
"created_at": "2022-09-04T14:44:16.871535Z",
"structure_string": "Ca3 N2\n1.0\n1.927189 -3.337989 0.000000\n1.927189 3.337989 0.000000\n0.000000 0.000000 6.932804\nCa N\n3 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.333961 Ca\n0.333333 0.666667 0.666039 Ca\n0.666667 0.333333 0.771162 N\n0.333333 0.666667 0.228838 N\n",
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{
"id": "mp-1211694",
"created_at": "2022-09-04T14:40:32.964475Z",
"structure_string": "K2 As2 H4 O8\n1.0\n-3.841044 3.841044 -3.671075\n3.841044 -3.841044 -3.671075\n-3.841044 -3.841044 3.671075\nK As H O\n2 2 4 8\ndirect\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.750000 0.250000 0.500000 As\n0.718899 0.625000 0.593899 H\n0.031101 0.125000 0.406101 H\n0.875000 0.281101 0.906101 H\n0.375000 0.968899 0.093899 H\n0.705683 0.772680 0.748733 O\n0.023946 0.956950 0.251267 O\n0.043050 0.294317 0.066997 O\n0.044317 0.293050 0.566997 O\n0.227320 0.976054 0.933003 O\n0.726054 0.477320 0.433003 O\n0.706950 0.273946 0.751267 O\n0.522680 0.955683 0.248733 O\n",
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{
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"structure_string": "Ti6 Al2 F30\n1.0\n9.923788 0.000000 0.000000\n0.000000 6.065145 0.000000\n0.000000 2.280179 9.108047\nTi Al F\n6 2 30\ndirect\n0.500000 0.000000 0.500000 Ti\n0.555690 0.972755 0.168063 Ti\n0.444310 0.027245 0.831937 Ti\n0.000000 0.000000 0.500000 Ti\n0.944310 0.972755 0.168063 Ti\n0.055690 0.027245 0.831937 Ti\n0.750000 0.435480 0.767666 Al\n0.250000 0.564520 0.232334 Al\n0.750000 0.594414 0.597129 F\n0.750000 0.877938 0.166146 F\n0.750000 0.566516 0.903454 F\n0.250000 0.405586 0.402871 F\n0.250000 0.433484 0.096546 F\n0.250000 0.122062 0.833854 F\n0.395059 0.156620 0.626276 F\n0.422012 0.093478 0.301566 F\n0.418719 0.127127 0.011676 F\n0.604941 0.843380 0.373724 F\n0.581281 0.872873 0.988324 F\n0.577988 0.906522 0.698434 F\n0.108944 0.755726 0.547042 F\n0.100996 0.732168 0.206618 F\n0.118950 0.751219 0.864824 F\n0.891056 0.244274 0.452958 F\n0.881050 0.248781 0.135176 F\n0.899004 0.267832 0.793382 F\n0.608944 0.244274 0.452958 F\n0.618950 0.248781 0.135176 F\n0.600996 0.267832 0.793382 F\n0.391056 0.755726 0.547042 F\n0.399004 0.732168 0.206618 F\n0.381050 0.751219 0.864824 F\n0.104941 0.156620 0.626276 F\n0.077988 0.093478 0.301566 F\n0.081281 0.127127 0.011676 F\n0.895059 0.843380 0.373724 F\n0.918719 0.872873 0.988324 F\n0.922012 0.906522 0.698434 F\n",
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{
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"structure_string": "K1 Li1 Zn1 S2\n1.0\n-1.990213 1.990213 6.667880\n1.990213 -1.990213 6.667880\n1.990213 1.990213 -6.667880\nK Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Zn\n0.648143 0.648143 0.000000 S\n0.351857 0.351857 0.000000 S\n",
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{
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{
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"structure_string": "Li2 Fe1 P2 S6\n1.0\n2.928094 -5.071607 0.000000\n2.928094 5.071607 0.000000\n0.000000 0.000000 6.565448\nLi Fe P S\n2 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.500000 Fe\n0.333333 0.666667 0.665588 P\n0.333333 0.666667 0.334412 P\n0.975828 0.339924 0.732223 S\n0.364097 0.024172 0.732223 S\n0.660076 0.635903 0.732223 S\n0.660076 0.024172 0.267777 S\n0.364097 0.339924 0.267777 S\n0.975828 0.635903 0.267777 S\n",
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{
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{
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{
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"structure_string": "Li4 V2 O2 F8\n1.0\n0.000205 0.011266 3.693737\n0.002042 10.223798 0.031799\n-4.997690 -0.006603 -1.846890\nLi V O F\n4 2 2 8\ndirect\n0.858423 0.919491 0.728952 Li\n0.128600 0.419811 0.270989 Li\n0.816332 0.248357 0.634960 Li\n0.178334 0.748413 0.365306 Li\n0.177409 0.059177 0.276697 V\n0.897797 0.559312 0.723677 V\n0.338265 0.568279 0.683019 O\n0.657886 0.068401 0.317315 O\n0.949749 0.123873 0.921704 F\n0.023631 0.624100 0.078578 F\n0.943516 0.390756 0.891694 F\n0.056333 0.890844 0.107895 F\n0.297458 0.951988 0.609220 F\n0.687706 0.452141 0.389661 F\n0.765481 0.737473 0.544942 F\n0.223078 0.237582 0.455392 F\n",
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]
}