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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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"elements": [
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"volume": 1674.4687615253579,
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"formula_full": "Te40 Rh31",
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{
"id": "mp-1217778",
"created_at": "2022-09-04T14:40:17.084268Z",
"structure_string": "Tb12 Ni28 P20\n1.0\n3.816401 0.000000 0.000000\n0.000000 16.327045 0.000000\n0.000000 8.151087 14.150171\nTb Ni P\n12 28 20\ndirect\n0.000000 0.120783 0.644452 Tb\n0.000000 0.644277 0.234747 Tb\n0.000000 0.236318 0.121595 Tb\n0.500000 0.878341 0.357425 Tb\n0.500000 0.356524 0.764716 Tb\n0.500000 0.764859 0.879157 Tb\n0.000000 0.384107 0.439916 Tb\n0.000000 0.440069 0.175740 Tb\n0.000000 0.175625 0.384082 Tb\n0.500000 0.616298 0.559451 Tb\n0.500000 0.559516 0.824479 Tb\n0.500000 0.824339 0.616140 Tb\n0.000000 0.986299 0.566787 Ni\n0.000000 0.566799 0.446794 Ni\n0.000000 0.446533 0.986209 Ni\n0.500000 0.014198 0.432430 Ni\n0.500000 0.432246 0.553679 Ni\n0.500000 0.553684 0.014523 Ni\n0.000000 0.931955 0.822460 Ni\n0.000000 0.821946 0.245457 Ni\n0.000000 0.251422 0.926552 Ni\n0.500000 0.073572 0.177745 Ni\n0.500000 0.177715 0.749597 Ni\n0.500000 0.749311 0.073319 Ni\n0.000000 0.715080 0.773085 Ni\n0.000000 0.773097 0.511686 Ni\n0.000000 0.512051 0.714871 Ni\n0.500000 0.285283 0.226696 Ni\n0.500000 0.226786 0.488333 Ni\n0.500000 0.488229 0.284881 Ni\n0.000000 0.302621 0.654961 Ni\n0.000000 0.655634 0.042296 Ni\n0.000000 0.041746 0.303103 Ni\n0.500000 0.696921 0.345987 Ni\n0.500000 0.344987 0.958008 Ni\n0.500000 0.957225 0.696813 Ni\n0.000000 0.087068 0.059308 Ni\n0.500000 0.940612 0.147959 Ni\n0.500000 0.147877 0.911905 Ni\n0.500000 0.909103 0.938781 Ni\n0.000000 0.666761 0.666616 P\n0.500000 0.333252 0.333342 P\n0.000000 0.609507 0.926378 P\n0.000000 0.926338 0.464064 P\n0.000000 0.464252 0.609442 P\n0.500000 0.390804 0.073286 P\n0.500000 0.073231 0.536425 P\n0.500000 0.536429 0.390323 P\n0.000000 0.818691 0.980172 P\n0.000000 0.975629 0.206282 P\n0.000000 0.201392 0.817257 P\n0.500000 0.183270 0.023146 P\n0.500000 0.023136 0.793317 P\n0.500000 0.793208 0.183828 P\n0.000000 0.869011 0.722866 P\n0.000000 0.722923 0.408089 P\n0.000000 0.408763 0.868677 P\n0.500000 0.131541 0.277245 P\n0.500000 0.276963 0.591907 P\n0.500000 0.591839 0.131213 P\n",
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"spacegroup": 6
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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",
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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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{
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{
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