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{
"id": "mp-684876",
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"structure_string": "Te40 Rh31\n1.0\n12.220147 0.000000 0.000000\n-4.589591 -11.723760 0.000000\n-4.937126 0.269104 -11.687825\nTe Rh\n40 31\ndirect\n0.785163 0.476488 0.668966 Te\n0.532219 0.672643 0.850845 Te\n0.435460 0.927524 0.884276 Te\n0.981620 0.023034 0.774851 Te\n0.560145 0.675360 0.483371 Te\n0.012835 0.303539 0.838359 Te\n0.726604 0.249256 0.859903 Te\n0.546545 0.878995 0.341867 Te\n0.581320 0.402870 0.877632 Te\n0.334716 0.070586 0.351409 Te\n0.939440 0.147800 0.326185 Te\n0.816352 0.807433 0.889564 Te\n0.217636 0.972343 0.002927 Te\n0.960550 0.613034 0.471313 Te\n0.116212 0.144149 0.576797 Te\n0.761511 0.374586 0.179222 Te\n0.735136 0.183572 0.473809 Te\n0.301123 0.258329 0.858552 Te\n0.012546 0.328883 0.113319 Te\n0.351083 0.492251 0.635880 Te\n0.645078 0.498510 0.360791 Te\n0.992726 0.675253 0.888412 Te\n0.701928 0.741851 0.160754 Te\n0.269082 0.813050 0.533070 Te\n0.235465 0.631152 0.820114 Te\n0.890086 0.852493 0.431183 Te\n0.039346 0.385604 0.530705 Te\n0.788394 0.023280 0.997079 Te\n0.178769 0.180258 0.114872 Te\n0.057893 0.851323 0.675185 Te\n0.660503 0.924353 0.646624 Te\n0.421381 0.600197 0.104425 Te\n0.456506 0.125573 0.661068 Te\n0.279287 0.749661 0.148704 Te\n0.979394 0.701289 0.153419 Te\n0.437583 0.321699 0.517140 Te\n0.015380 0.972825 0.229057 Te\n0.567509 0.082446 0.112933 Te\n0.463732 0.335740 0.141759 Te\n0.209057 0.521302 0.330444 Te\n0.999360 0.995236 0.000916 Rh\n0.460086 0.487839 0.960569 Rh\n0.975340 0.207593 0.655213 Rh\n0.807328 0.483191 0.880217 Rh\n0.460148 0.725034 0.618560 Rh\n0.224524 0.043104 0.799953 Rh\n0.941486 0.497713 0.108517 Rh\n0.784835 0.655978 0.528550 Rh\n0.826708 0.108856 0.810250 Rh\n0.496804 0.855545 0.115738 Rh\n0.984094 0.364484 0.305610 Rh\n0.062832 0.504690 0.899567 Rh\n0.614297 0.888958 0.832154 Rh\n0.216066 0.427094 0.771168 Rh\n0.802983 0.391749 0.396543 Rh\n0.499623 0.157003 0.878413 Rh\n0.241337 0.354184 0.997674 Rh\n0.034842 0.793333 0.350894 Rh\n0.672505 0.218171 0.637098 Rh\n0.527192 0.016550 0.477628 Rh\n0.333317 0.785936 0.370675 Rh\n0.732677 0.637457 0.009230 Rh\n0.539178 0.265986 0.390101 Rh\n0.196946 0.605294 0.605051 Rh\n0.812040 0.580696 0.243867 Rh\n0.384880 0.116231 0.167025 Rh\n0.010495 0.632500 0.694970 Rh\n0.174822 0.890309 0.189436 Rh\n0.211054 0.338876 0.469485 Rh\n0.772085 0.962069 0.194255 Rh\n0.202799 0.517801 0.123888 Rh\n",
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"formula_full": "Te40 Rh31",
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"formula_anonymous": "A31B40",
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{
"id": "mp-9509",
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"structure_string": "K4 P2 Au2 S8\n1.0\n6.882998 0.000000 0.000000\n0.000000 6.742747 0.000000\n0.000000 0.532190 9.569556\nK P Au S\n4 2 2 8\ndirect\n0.250000 0.480489 0.162954 K\n0.750000 0.519511 0.837046 K\n0.250000 0.796589 0.539328 K\n0.750000 0.203411 0.460672 K\n0.750000 0.732481 0.279908 P\n0.250000 0.267519 0.720092 P\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Au\n0.250000 0.304218 0.508948 S\n0.750000 0.695782 0.491052 S\n0.250000 0.521228 0.823609 S\n0.750000 0.478772 0.176391 S\n0.500918 0.098351 0.763616 S\n0.000918 0.901649 0.236384 S\n0.999082 0.098351 0.763616 S\n0.499082 0.901649 0.236384 S\n",
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{
"id": "mp-1210245",
"created_at": "2022-09-04T14:40:18.014684Z",
"structure_string": "Na2 Al2 Cr4 H4 O16\n1.0\n2.673604 7.043629 0.000000\n-2.673604 7.043629 0.000000\n0.000000 4.033036 10.297220\nNa Al Cr H O\n2 2 4 4 16\ndirect\n0.715561 0.284439 0.750000 Na\n0.284439 0.715561 0.250000 Na\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.340219 0.861186 0.536790 Cr\n0.659781 0.138814 0.463210 Cr\n0.138814 0.659781 0.963210 Cr\n0.861186 0.340219 0.036790 Cr\n0.484759 0.950302 0.838261 H\n0.515241 0.049698 0.161739 H\n0.049698 0.515241 0.661739 H\n0.950302 0.484759 0.338261 H\n0.646952 0.123993 0.615216 O\n0.353048 0.876007 0.384784 O\n0.876007 0.353048 0.884784 O\n0.123993 0.646952 0.115216 O\n0.816144 0.899201 0.922330 O\n0.183856 0.100799 0.077670 O\n0.100799 0.183856 0.577670 O\n0.899201 0.816144 0.422330 O\n0.252901 0.709947 0.626472 O\n0.747099 0.290053 0.373528 O\n0.290053 0.747099 0.873528 O\n0.709947 0.252901 0.126472 O\n0.653240 0.676685 0.569336 O\n0.346760 0.323315 0.430664 O\n0.323315 0.346760 0.930664 O\n0.676685 0.653240 0.069336 O\n",
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"formula_full": "Na2 Al2 Cr4 H4 O16",
"formula_reduced": "NaAlCr2(HO4)2",
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{
"id": "mp-758257",
"created_at": "2022-09-04T14:40:17.983836Z",
"structure_string": "Li6 Fe6 Si6 O24\n1.0\n4.391105 -7.605616 0.000000\n4.391105 7.605616 0.000000\n0.000000 0.000000 8.300918\nLi Fe Si O\n6 6 6 24\ndirect\n0.333333 0.666667 0.984986 Li\n0.333333 0.666667 0.550729 Li\n0.000000 0.000000 0.815860 Li\n0.000000 0.000000 0.315860 Li\n0.666667 0.333333 0.484986 Li\n0.666667 0.333333 0.050729 Li\n0.044633 0.686714 0.263746 Fe\n0.313286 0.357919 0.263746 Fe\n0.642081 0.955367 0.263746 Fe\n0.357919 0.044633 0.763746 Fe\n0.686714 0.642081 0.763746 Fe\n0.955367 0.313286 0.763746 Fe\n0.039797 0.683818 0.881760 Si\n0.316182 0.355979 0.881760 Si\n0.644021 0.960203 0.881760 Si\n0.355979 0.039797 0.381760 Si\n0.683818 0.644021 0.381760 Si\n0.960203 0.316182 0.381760 Si\n0.112188 0.873239 0.787474 O\n0.143188 0.724474 0.056017 O\n0.098385 0.558836 0.783306 O\n0.240759 0.823779 0.404440 O\n0.176221 0.416981 0.404440 O\n0.126761 0.238948 0.787474 O\n0.460451 0.901615 0.783306 O\n0.275526 0.418714 0.056017 O\n0.581286 0.856812 0.056017 O\n0.238948 0.112188 0.287474 O\n0.441164 0.539549 0.783306 O\n0.583019 0.759241 0.404440 O\n0.416981 0.240759 0.904440 O\n0.558836 0.460451 0.283306 O\n0.761052 0.887812 0.787474 O\n0.418714 0.143188 0.556017 O\n0.724474 0.581286 0.556017 O\n0.539549 0.098385 0.283306 O\n0.873239 0.761052 0.287474 O\n0.823779 0.583019 0.904440 O\n0.759241 0.176221 0.904440 O\n0.901615 0.441164 0.283306 O\n0.856812 0.275526 0.556017 O\n0.887812 0.126761 0.287474 O\n",
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],
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{
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"structure_string": "Sb2 P2 Cl8 F12\n1.0\n8.716101 0.000000 0.000000\n0.000000 8.716101 0.000000\n0.000000 0.000000 6.943412\nSb P Cl F\n2 2 8 12\ndirect\n0.000000 0.500000 0.146718 Sb\n0.500000 0.000000 0.853282 Sb\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.500000 P\n0.046879 0.176977 0.662352 Cl\n0.453121 0.323023 0.337648 Cl\n0.323023 0.546879 0.662352 Cl\n0.823023 0.046879 0.337648 Cl\n0.546879 0.676977 0.337648 Cl\n0.176977 0.953121 0.337648 Cl\n0.676977 0.453121 0.662352 Cl\n0.953121 0.823023 0.662352 Cl\n0.290756 0.930203 0.853544 F\n0.790756 0.430203 0.146456 F\n0.209244 0.569797 0.146456 F\n0.930203 0.709244 0.146456 F\n0.569797 0.790756 0.853544 F\n0.709244 0.069797 0.853544 F\n0.430203 0.209244 0.853544 F\n0.000000 0.500000 0.868781 F\n0.069797 0.290756 0.146456 F\n0.500000 0.000000 0.576804 F\n0.000000 0.500000 0.423196 F\n0.500000 0.000000 0.131219 F\n",
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{
"id": "mp-1094250",
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"structure_string": "Mg3 Sn3\n1.0\n1.643635 6.636565 0.000000\n-1.643635 6.636565 0.000000\n0.000000 1.924735 6.814471\nMg Sn\n3 3\ndirect\n0.613582 0.613582 0.279014 Mg\n0.327993 0.327993 0.335656 Mg\n0.278041 0.278041 0.936956 Mg\n0.994204 0.994204 0.017018 Sn\n0.943872 0.943872 0.601129 Sn\n0.675641 0.675641 0.663560 Sn\n",
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{
"id": "mp-1227612",
"created_at": "2022-09-04T14:40:18.001250Z",
"structure_string": "La18 In10 Se42\n1.0\n8.434400 -9.369374 0.000000\n8.434400 9.369374 0.000000\n-1.973593 0.000000 12.451072\nLa In Se\n18 10 42\ndirect\n0.115768 0.880633 0.249411 La\n0.779896 0.543262 0.917775 La\n0.450338 0.216765 0.587293 La\n0.216765 0.587293 0.450338 La\n0.880633 0.249411 0.115768 La\n0.543262 0.917775 0.779896 La\n0.917775 0.779896 0.543262 La\n0.587293 0.450338 0.216765 La\n0.249411 0.115768 0.880633 La\n0.548981 0.783455 0.414279 La\n0.213950 0.451034 0.075979 La\n0.885320 0.118968 0.749105 La\n0.451034 0.075979 0.213950 La\n0.118968 0.749105 0.885320 La\n0.783455 0.414279 0.548981 La\n0.749105 0.885320 0.118968 La\n0.414279 0.548981 0.783455 La\n0.075979 0.213950 0.451034 La\n0.609205 0.276290 0.941980 In\n0.276290 0.941980 0.609205 In\n0.941980 0.609205 0.276290 In\n0.775628 0.109751 0.442003 In\n0.442003 0.775628 0.109751 In\n0.109751 0.442003 0.775628 In\n0.148552 0.148552 0.148552 In\n0.839935 0.839935 0.839935 In\n0.340034 0.340034 0.340034 In\n0.648473 0.648473 0.648473 In\n0.603124 0.442503 0.694995 Se\n0.259591 0.110908 0.349598 Se\n0.921036 0.765717 0.019789 Se\n0.765717 0.019789 0.921036 Se\n0.442503 0.694995 0.603124 Se\n0.110908 0.349598 0.259591 Se\n0.349598 0.259591 0.110908 Se\n0.019789 0.921036 0.765717 Se\n0.694995 0.603124 0.442503 Se\n0.719943 0.869069 0.630586 Se\n0.383121 0.538910 0.284397 Se\n0.057541 0.217896 0.965451 Se\n0.538910 0.284397 0.383121 Se\n0.217896 0.965451 0.057541 Se\n0.869069 0.630586 0.719943 Se\n0.965451 0.057541 0.217896 Se\n0.630586 0.719943 0.869069 Se\n0.284397 0.383121 0.538910 Se\n0.475743 0.145765 0.811242 Se\n0.145765 0.811242 0.475743 Se\n0.811242 0.475743 0.145765 Se\n0.975478 0.311851 0.645419 Se\n0.645419 0.975478 0.311851 Se\n0.311851 0.645419 0.975478 Se\n0.551964 0.469407 0.980030 Se\n0.219513 0.134782 0.643366 Se\n0.888941 0.804872 0.307025 Se\n0.804872 0.307025 0.888941 Se\n0.469407 0.980030 0.551964 Se\n0.134782 0.643366 0.219513 Se\n0.643366 0.219513 0.134782 Se\n0.307025 0.888941 0.804872 Se\n0.980030 0.551964 0.469407 Se\n0.943708 0.030231 0.526313 Se\n0.613505 0.697318 0.189923 Se\n0.281978 0.363283 0.853286 Se\n0.697318 0.189923 0.613505 Se\n0.363283 0.853286 0.281978 Se\n0.030231 0.526313 0.943708 Se\n0.853286 0.281978 0.363283 Se\n0.526313 0.943708 0.030231 Se\n0.189923 0.613505 0.697318 Se\n",
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{
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