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{
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{
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"formula_full": "Ca4 V4 Si4 O20",
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{
"id": "mp-1036036",
"created_at": "2022-09-04T14:47:23.573764Z",
"structure_string": "Hf1 Mg14 Mn1 O16\n1.0\n8.667453 0.000000 0.000000\n0.000000 8.667453 0.000000\n0.000000 0.000000 4.320276\nHf Mg Mn O\n1 14 1 16\ndirect\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.251346 0.000000 0.500000 Mg\n0.748654 0.000000 0.500000 Mg\n0.244051 0.500000 0.500000 Mg\n0.755949 0.500000 0.500000 Mg\n0.000000 0.251346 0.500000 Mg\n0.500000 0.244051 0.500000 Mg\n0.000000 0.748654 0.500000 Mg\n0.500000 0.755949 0.500000 Mg\n0.245516 0.245516 0.000000 Mg\n0.754484 0.245516 0.000000 Mg\n0.245516 0.754484 0.000000 Mg\n0.754484 0.754484 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.258003 0.000000 O\n0.500000 0.246530 0.000000 O\n0.000000 0.741997 0.000000 O\n0.500000 0.753470 0.000000 O\n0.249694 0.249694 0.500000 O\n0.750306 0.249694 0.500000 O\n0.249694 0.750306 0.500000 O\n0.750306 0.750306 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.258003 0.000000 0.000000 O\n0.741997 0.000000 0.000000 O\n0.246530 0.500000 0.000000 O\n0.753470 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:47:23.618141Z",
"structure_string": "Zn4 Ga4 S10\n1.0\n1.871627 -3.241753 0.000000\n1.871627 3.241753 0.000000\n0.000000 0.000000 30.386814\nZn Ga S\n4 4 10\ndirect\n0.666667 0.333333 0.432520 Zn\n0.333333 0.666667 0.932520 Zn\n0.333333 0.666667 0.190759 Zn\n0.666667 0.333333 0.690759 Zn\n0.000000 0.000000 0.309854 Ga\n0.000000 0.000000 0.809854 Ga\n0.666667 0.333333 0.083961 Ga\n0.333333 0.666667 0.583961 Ga\n0.333333 0.666667 0.456921 S\n0.666667 0.333333 0.956921 S\n0.666667 0.333333 0.349133 S\n0.333333 0.666667 0.849133 S\n0.333333 0.666667 0.264304 S\n0.666667 0.333333 0.764304 S\n0.666667 0.333333 0.159604 S\n0.333333 0.666667 0.659604 S\n0.333333 0.666667 0.054944 S\n0.666667 0.333333 0.554944 S\n",
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{
"id": "mp-849412",
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"structure_string": "V6 O5 F19\n1.0\n-5.376894 0.000000 0.000000\n0.304114 5.603499 0.000000\n-0.095098 -2.663153 -14.565251\nV O F\n6 5 19\ndirect\n0.034697 0.955492 0.996243 V\n0.512095 0.818771 0.668256 V\n0.968806 0.734063 0.336815 V\n0.542965 0.466606 0.003722 V\n0.038713 0.277367 0.662614 V\n0.516245 0.224362 0.334757 V\n0.794489 0.969719 0.358497 O\n0.706460 0.469390 0.356446 O\n0.770204 0.303483 0.021095 O\n0.205984 0.724226 0.978523 O\n0.207967 0.039461 0.642533 O\n0.725129 0.785155 0.026323 F\n0.271733 0.862844 0.308544 F\n0.904201 0.961113 0.886994 F\n0.562986 0.800568 0.549124 F\n0.911804 0.604774 0.220333 F\n0.397246 0.889748 0.781570 F\n0.074329 0.688718 0.445331 F\n0.406012 0.546012 0.113424 F\n0.780566 0.655040 0.692325 F\n0.296469 0.517205 0.643184 F\n0.234032 0.349559 0.307014 F\n0.560245 0.476749 0.884950 F\n0.912584 0.304123 0.555339 F\n0.588792 0.095421 0.220522 F\n0.070327 0.392543 0.780765 F\n0.425069 0.184192 0.446289 F\n0.069748 0.072040 0.114947 F\n0.725291 0.126219 0.690098 F\n0.284810 0.205039 0.973421 F\n",
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{
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"structure_string": "Fe6 O5 F7\n1.0\n4.743481 0.000000 0.000000\n0.129856 5.689844 0.000000\n0.088543 0.659221 7.832366\nFe O F\n6 5 7\ndirect\n0.562540 0.828355 0.657398 Fe\n0.513828 0.519456 0.012977 Fe\n0.489197 0.167207 0.335672 Fe\n0.969413 0.333361 0.686592 Fe\n0.991552 0.666052 0.320420 Fe\n0.978358 0.982998 0.987942 Fe\n0.801071 0.044080 0.754230 O\n0.802794 0.690551 0.108064 O\n0.691243 0.535675 0.775712 O\n0.694708 0.878944 0.425537 O\n0.308074 0.455781 0.237755 O\n0.803837 0.368903 0.439826 F\n0.696103 0.202411 0.106864 F\n0.295943 0.134274 0.565166 F\n0.308727 0.799756 0.888479 F\n0.202413 0.962809 0.233445 F\n0.184725 0.623460 0.565175 F\n0.205474 0.305926 0.898745 F\n",
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{
"id": "mp-694919",
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"structure_string": "Sr5 Nd5 Cu1 Ni4 O20\n1.0\n3.841363 0.000000 0.000000\n1.881877 6.581784 0.000000\n1.788947 1.465559 18.703779\nSr Nd Cu Ni O\n5 5 1 4 20\ndirect\n0.349016 0.756795 0.527865 Sr\n0.372389 0.544699 0.721788 Sr\n0.395860 0.324878 0.911307 Sr\n0.579859 0.651530 0.083810 Sr\n0.622883 0.453209 0.276114 Sr\n0.330938 0.151964 0.141076 Nd\n0.345701 0.951135 0.333645 Nd\n0.628115 0.259990 0.469312 Nd\n0.674611 0.830557 0.859102 Nd\n0.640302 0.052969 0.663462 Nd\n0.988983 0.996008 0.001879 Cu\n0.979911 0.800826 0.203720 Ni\n0.985191 0.607975 0.401476 Ni\n0.993098 0.405274 0.597329 Ni\n0.019630 0.184439 0.796021 Ni\n0.952056 0.954783 0.101812 O\n0.973932 0.721032 0.305891 O\n0.992874 0.499645 0.497771 O\n0.021824 0.267583 0.692210 O\n0.032674 0.047983 0.901498 O\n0.170888 0.444920 0.029263 O\n0.819214 0.110700 0.231999 O\n0.813455 0.930253 0.425923 O\n0.821705 0.716167 0.633614 O\n0.848915 0.493192 0.829454 O\n0.483987 0.001759 0.005309 O\n0.470369 0.820287 0.205459 O\n0.485718 0.607220 0.401305 O\n0.502457 0.387941 0.594323 O\n0.532353 0.162857 0.790613 O\n0.151701 0.487608 0.176432 O\n0.159449 0.283513 0.375106 O\n0.150710 0.103842 0.562792 O\n0.188076 0.869879 0.775870 O\n0.021158 0.616587 0.975450 O\n",
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{
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{
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"structure_string": "Sr4 Ca4 I16\n1.0\n8.181743 0.000000 0.000000\n0.000000 8.250707 0.000000\n0.000000 4.781940 16.350996\nSr Ca I\n4 4 16\ndirect\n0.049916 0.720404 0.841269 Sr\n0.450084 0.720404 0.341269 Sr\n0.549916 0.279596 0.658731 Sr\n0.950084 0.279596 0.158731 Sr\n0.353045 0.800698 0.597283 Ca\n0.146955 0.800698 0.097283 Ca\n0.853045 0.199302 0.902717 Ca\n0.646955 0.199302 0.402717 Ca\n0.192852 0.040039 0.680654 I\n0.307148 0.040039 0.180654 I\n0.696864 0.963384 0.580606 I\n0.803136 0.963384 0.080606 I\n0.371955 0.530514 0.765519 I\n0.263581 0.516643 0.520498 I\n0.128045 0.530514 0.265519 I\n0.763581 0.483357 0.979502 I\n0.236419 0.516643 0.020498 I\n0.871955 0.469486 0.734481 I\n0.736419 0.483357 0.479502 I\n0.628045 0.469486 0.234481 I\n0.196864 0.036616 0.919394 I\n0.303136 0.036616 0.419394 I\n0.692852 0.959961 0.819346 I\n0.807148 0.959961 0.319346 I\n",
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}