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{
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"results": [
{
"id": "mp-1175844",
"created_at": "2022-09-04T14:45:59.574542Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.992873 0.000000 0.000000\n-0.057463 5.951025 0.000000\n-0.613965 -1.571552 9.680534\nLi Mn Co O\n9 2 5 16\ndirect\n0.881669 0.809075 0.250498 Li\n0.124549 0.693562 0.744531 Li\n0.378172 0.564666 0.255628 Li\n0.879391 0.308929 0.252366 Li\n0.124560 0.184534 0.742220 Li\n0.377277 0.061542 0.255284 Li\n0.618726 0.936755 0.750806 Li\n0.618250 0.441086 0.748591 Li\n0.250166 0.876031 0.499011 Li\n0.999875 0.999730 0.998929 Mn\n0.750803 0.625350 0.500258 Mn\n0.496310 0.749477 0.004919 Co\n0.000008 0.498986 0.998896 Co\n0.249489 0.379993 0.499918 Co\n0.503451 0.250599 0.997149 Co\n0.748757 0.113807 0.500560 Co\n0.696433 0.030316 0.116473 O\n0.907870 0.891407 0.615769 O\n0.208273 0.768571 0.124572 O\n0.701455 0.525345 0.115576 O\n0.941601 0.416173 0.611132 O\n0.192951 0.268079 0.111418 O\n0.432150 0.180320 0.605473 O\n0.438616 0.633443 0.608781 O\n0.062897 0.576269 0.392223 O\n0.299640 0.474340 0.884677 O\n0.558161 0.356727 0.389062 O\n0.064540 0.124587 0.393147 O\n0.304415 0.969216 0.882107 O\n0.594417 0.828852 0.385355 O\n0.805378 0.730197 0.888498 O\n0.789753 0.232035 0.876174 O\n",
"nsites": 32,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.173944461455665,
"density_atomic": 0.11125213896486874,
"volume": 287.63491918213793,
"volume_molar": 5.413056158768933,
"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.61511554,
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"updated_at": "2021-11-28T01:37:18.248000Z",
"spacegroup": 1
},
{
"id": "mp-554722",
"created_at": "2022-09-04T14:45:59.576642Z",
"structure_string": "Y6 Ga2 O12\n1.0\n4.467376 -5.604435 0.000000\n4.467376 5.604435 0.000000\n0.000000 0.000000 5.457112\nY Ga O\n6 2 12\ndirect\n0.088222 0.298468 0.468469 Y\n0.701532 0.911778 0.468469 Y\n0.398011 0.601989 0.922182 Y\n0.601989 0.398011 0.422182 Y\n0.911778 0.701532 0.968469 Y\n0.298468 0.088222 0.968469 Y\n0.194515 0.805485 0.499036 Ga\n0.805485 0.194515 0.999036 Ga\n0.323167 0.356294 0.196938 O\n0.785149 0.214851 0.661362 O\n0.577605 0.106840 0.178217 O\n0.676833 0.643706 0.696938 O\n0.422395 0.893160 0.678217 O\n0.356294 0.323167 0.696938 O\n0.893160 0.422395 0.178217 O\n0.959642 0.040358 0.139390 O\n0.106840 0.577605 0.678217 O\n0.040358 0.959642 0.639390 O\n0.643706 0.676833 0.196938 O\n0.214851 0.785149 0.161362 O\n",
"nsites": 20,
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"elements": [
"Y",
"Ga",
"O"
],
"chemical_system": "Ga-O-Y",
"density": 5.2556287842133695,
"density_atomic": 0.07319017565862072,
"volume": 273.26071866920427,
"volume_molar": 8.22807256002354,
"formula_full": "Y6 Ga2 O12",
"formula_reduced": "Y3GaO6",
"formula_anonymous": "AB3C6",
"energy": -175.45256214,
"energy_per_atom": -8.772628107,
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"updated_at": "2021-11-28T01:37:15.745000Z",
"spacegroup": 36
},
{
"id": "mp-764630",
"created_at": "2022-09-04T14:45:59.637006Z",
"structure_string": "Cr12 Cu8 O48\n1.0\n9.012378 0.000000 0.000000\n0.000000 8.629781 0.000000\n0.000000 8.475995 12.189357\nCr Cu O\n12 8 48\ndirect\n0.751894 0.546749 0.491772 Cr\n0.620920 0.257949 0.850529 Cr\n0.886879 0.970867 0.143302 Cr\n0.120920 0.742051 0.649471 Cr\n0.386879 0.029133 0.356698 Cr\n0.251894 0.453251 0.008228 Cr\n0.748106 0.546749 0.991772 Cr\n0.613121 0.970867 0.643302 Cr\n0.879080 0.257949 0.350529 Cr\n0.113121 0.029133 0.856698 Cr\n0.379080 0.742051 0.149471 Cr\n0.248106 0.453251 0.508228 Cr\n0.971407 0.365692 0.886616 Cu\n0.471407 0.634308 0.613384 Cu\n0.030200 0.870947 0.382155 Cu\n0.530200 0.129053 0.117845 Cu\n0.469800 0.870947 0.882155 Cu\n0.969800 0.129053 0.617845 Cu\n0.528593 0.365692 0.386616 Cu\n0.028593 0.634308 0.113384 Cu\n0.119839 0.619857 0.445802 O\n0.113949 0.165241 0.902964 O\n0.330790 0.457750 0.608345 O\n0.427266 0.882215 0.188843 O\n0.632924 0.509652 0.588168 O\n0.805850 0.284330 0.836814 O\n0.577679 0.154197 0.981623 O\n0.004648 0.879021 0.248225 O\n0.717322 0.981928 0.184122 O\n0.828704 0.759896 0.432934 O\n0.532212 0.463995 0.773416 O\n0.032212 0.536005 0.726584 O\n0.940794 0.191990 0.045689 O\n0.440794 0.808010 0.454311 O\n0.328704 0.240104 0.067066 O\n0.217322 0.018072 0.315878 O\n0.077679 0.845803 0.518377 O\n0.504648 0.120979 0.251775 O\n0.305850 0.715670 0.663186 O\n0.132924 0.490348 0.911832 O\n0.830790 0.542250 0.891655 O\n0.613949 0.834759 0.597036 O\n0.927266 0.117785 0.311157 O\n0.619839 0.380143 0.054198 O\n0.380161 0.619857 0.945802 O\n0.072734 0.882215 0.688843 O\n0.386051 0.165241 0.402964 O\n0.169210 0.457750 0.108345 O\n0.867076 0.509652 0.088168 O\n0.694150 0.284330 0.336814 O\n0.495352 0.879021 0.748225 O\n0.922321 0.154197 0.481623 O\n0.782678 0.981928 0.684122 O\n0.671296 0.759896 0.932934 O\n0.559206 0.191990 0.545689 O\n0.059206 0.808010 0.954311 O\n0.967788 0.463995 0.273416 O\n0.467788 0.536005 0.226584 O\n0.171296 0.240104 0.567066 O\n0.282678 0.018072 0.815878 O\n0.995352 0.120979 0.751775 O\n0.422321 0.845803 0.018377 O\n0.194150 0.715670 0.163186 O\n0.367076 0.490348 0.411832 O\n0.572734 0.117785 0.811157 O\n0.669210 0.542250 0.391655 O\n0.886051 0.834759 0.097036 O\n0.880161 0.380143 0.554198 O\n",
"nsites": 68,
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"elements": [
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"Cu",
"O"
],
"chemical_system": "Cr-Cu-O",
"density": 3.328507644465859,
"density_atomic": 0.07172803649897669,
"volume": 948.0253931246274,
"volume_molar": 8.395797590368888,
"formula_full": "Cr12 Cu8 O48",
"formula_reduced": "Cr3(CuO6)2",
"formula_anonymous": "A2B3C12",
"energy": -473.52315507,
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"updated_at": "2021-11-28T01:37:14.822000Z",
"spacegroup": 14
},
{
"id": "mp-554764",
"created_at": "2022-09-04T14:45:59.639922Z",
"structure_string": "Sb12 Au12 F88\n1.0\n10.969372 0.000000 0.000000\n0.000000 10.445918 0.000000\n0.000000 1.195364 15.789113\nSb Au F\n12 12 88\ndirect\n0.124922 0.101772 0.031173 Sb\n0.375736 0.099825 0.529061 Sb\n0.875078 0.101772 0.531173 Sb\n0.632156 0.363282 0.729874 Sb\n0.377069 0.649525 0.943957 Sb\n0.874557 0.364407 0.235273 Sb\n0.869300 0.643082 0.935095 Sb\n0.624264 0.099825 0.029061 Sb\n0.367844 0.363282 0.229874 Sb\n0.622931 0.649525 0.443957 Sb\n0.125443 0.364407 0.735273 Sb\n0.130700 0.643082 0.435095 Sb\n0.883447 0.050399 0.866359 Au\n0.375345 0.629307 0.688738 Au\n0.631682 0.869659 0.735306 Au\n0.368318 0.869659 0.235306 Au\n0.869437 0.862600 0.236282 Au\n0.617419 0.053797 0.365918 Au\n0.874929 0.689876 0.600564 Au\n0.116553 0.050399 0.366359 Au\n0.624655 0.629307 0.188738 Au\n0.130563 0.862600 0.736282 Au\n0.382581 0.053797 0.865918 Au\n0.125071 0.689876 0.100564 Au\n0.287518 0.945985 0.783510 F\n0.531994 0.536161 0.728036 F\n0.712482 0.945985 0.283510 F\n0.214200 0.115375 0.919740 F\n0.785800 0.115375 0.419740 F\n0.724797 0.209321 0.733165 F\n0.014155 0.274212 0.279687 F\n0.190029 0.392414 0.843178 F\n0.916244 0.349798 0.120376 F\n0.985845 0.274212 0.779687 F\n0.050255 0.529517 0.730060 F\n0.036361 0.628655 0.549746 F\n0.282306 0.460190 0.684504 F\n0.531591 0.796804 0.187396 F\n0.223777 0.213864 0.733504 F\n0.230520 0.036786 0.582701 F\n0.473062 0.083173 0.628052 F\n0.949745 0.529517 0.230060 F\n0.486057 0.279573 0.769922 F\n0.081986 0.472174 0.423078 F\n0.019131 0.706215 0.886138 F\n0.834803 0.816612 0.960197 F\n0.165197 0.816612 0.460197 F\n0.080782 0.931983 0.005182 F\n0.518302 0.160021 0.455235 F\n0.513943 0.279573 0.269922 F\n0.776223 0.213864 0.233504 F\n0.717999 0.749600 0.652787 F\n0.782458 0.665104 0.831038 F\n0.408030 0.475259 0.929433 F\n0.040309 0.988650 0.810218 F\n0.980869 0.706215 0.386138 F\n0.733601 0.588889 0.003225 F\n0.717694 0.460190 0.184504 F\n0.980460 0.155006 0.958876 F\n0.591970 0.475259 0.429433 F\n0.919218 0.931983 0.505182 F\n0.726482 0.660630 0.345589 F\n0.789783 0.951068 0.778285 F\n0.275203 0.209321 0.233165 F\n0.282001 0.749600 0.152787 F\n0.676330 0.819140 0.464625 F\n0.468006 0.536161 0.228036 F\n0.459448 0.993493 0.310722 F\n0.963639 0.628655 0.049746 F\n0.769480 0.036786 0.082701 F\n0.840569 0.276573 0.539356 F\n0.510266 0.713454 0.875769 F\n0.210217 0.951068 0.278285 F\n0.578571 0.933797 0.999136 F\n0.266399 0.588889 0.503225 F\n0.481698 0.160021 0.955235 F\n0.728382 0.039820 0.583282 F\n0.227023 0.739380 0.659259 F\n0.717447 0.117257 0.918408 F\n0.271618 0.039820 0.083282 F\n0.225987 0.590935 0.013289 F\n0.019540 0.155006 0.458876 F\n0.669334 0.398770 0.842480 F\n0.532602 0.642087 0.546672 F\n0.772977 0.739380 0.159259 F\n0.235239 0.470211 0.190247 F\n0.159431 0.276573 0.039356 F\n0.659414 0.274170 0.038385 F\n0.340586 0.274170 0.538385 F\n0.468409 0.796804 0.687396 F\n0.809971 0.392414 0.343178 F\n0.217542 0.665104 0.331038 F\n0.969653 0.084529 0.631279 F\n0.330666 0.398770 0.342480 F\n0.540552 0.993493 0.810722 F\n0.526938 0.083173 0.128052 F\n0.764761 0.470211 0.690247 F\n0.467398 0.642087 0.046672 F\n0.959691 0.988650 0.310218 F\n0.918014 0.472174 0.923078 F\n0.774013 0.590935 0.513289 F\n0.421429 0.933797 0.499136 F\n0.031214 0.789368 0.185086 F\n0.323670 0.819140 0.964625 F\n0.030347 0.084529 0.131279 F\n0.489734 0.713454 0.375769 F\n0.083756 0.349798 0.620376 F\n0.421627 0.355722 0.116788 F\n0.578373 0.355722 0.616788 F\n0.282553 0.117257 0.418408 F\n0.273518 0.660630 0.845589 F\n0.968786 0.789368 0.685086 F\n",
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"volume": 1809.1980460497064,
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"formula_full": "Sb12 Au12 F88",
"formula_reduced": "Sb3Au3F22",
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"energy": -494.49614521,
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},
{
"id": "mp-1027742",
"created_at": "2022-09-04T14:45:59.643191Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n1.652751 -2.862649 0.000000\n1.652751 2.862649 0.000000\n0.000000 0.000000 38.650578\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333333 0.666667 0.330281 Te\n0.333333 0.666667 0.231237 Te\n0.333333 0.666667 0.092970 Mo\n0.333333 0.666667 0.471291 Mo\n0.666667 0.333333 0.280750 Mo\n0.666667 0.333333 0.657905 W\n0.666667 0.333333 0.427846 Se\n0.666667 0.333333 0.514694 Se\n0.333333 0.666667 0.697591 S\n0.666667 0.333333 0.053414 S\n0.666667 0.333333 0.132565 S\n0.333333 0.666667 0.618203 S\n",
"nsites": 12,
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"W",
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],
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"density_atomic": 0.03281101973039358,
"volume": 365.73078491931574,
"volume_molar": 18.354018892078372,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
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"updated_at": "2021-11-28T01:37:18.746000Z",
"spacegroup": 156
},
{
"id": "mp-7205",
"created_at": "2022-09-04T14:46:00.012474Z",
"structure_string": "Li4 In4 Si4 O16\n1.0\n4.912569 0.000000 0.000000\n0.000000 6.152519 0.000000\n0.000000 0.000000 10.640971\nLi In Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.021235 0.750000 0.275714 In\n0.478765 0.750000 0.775714 In\n0.978765 0.250000 0.724286 In\n0.521235 0.250000 0.224286 In\n0.575750 0.750000 0.088785 Si\n0.924250 0.750000 0.588785 Si\n0.424250 0.250000 0.911215 Si\n0.075750 0.250000 0.411215 Si\n0.771721 0.542082 0.662835 O\n0.228279 0.457918 0.337165 O\n0.728279 0.542082 0.162835 O\n0.771721 0.957918 0.662835 O\n0.271721 0.042082 0.837165 O\n0.754388 0.250000 0.902357 O\n0.271721 0.457918 0.837165 O\n0.228279 0.042082 0.337165 O\n0.245612 0.750000 0.097643 O\n0.745612 0.250000 0.402357 O\n0.705270 0.750000 0.946802 O\n0.254388 0.750000 0.597643 O\n0.794730 0.750000 0.446802 O\n0.205270 0.250000 0.553198 O\n0.294730 0.250000 0.053198 O\n0.728279 0.957918 0.162835 O\n",
"nsites": 28,
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],
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"volume": 321.6198807029112,
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"formula_full": "Li4 In4 Si4 O16",
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},
{
"id": "mp-1233544",
"created_at": "2022-09-04T14:45:59.572171Z",
"structure_string": "Sr4 Tb2 Mg1 Ru2 O12\n1.0\n6.166040 -0.158800 -0.073359\n-0.158968 5.877841 0.020030\n-0.066318 0.029384 8.316409\nSr Tb Mg Ru O\n4 2 1 2 12\ndirect\n0.000635 0.497539 0.758437 Sr\n0.480146 0.953293 0.731876 Sr\n0.586310 0.872611 0.259174 Sr\n0.041740 0.601799 0.245615 Sr\n0.522355 0.454118 0.985066 Tb\n0.977096 0.012790 0.519481 Tb\n0.248079 0.181622 0.236491 Mg\n0.990851 0.016029 0.997058 Ru\n0.485785 0.485498 0.500740 Ru\n0.729025 0.182909 0.934610 O\n0.760813 0.694151 0.512436 O\n0.277757 0.890510 0.078658 O\n0.203595 0.308028 0.465318 O\n0.797347 0.717140 0.996742 O\n0.678459 0.220633 0.542114 O\n0.162798 0.330950 0.024493 O\n0.294078 0.783971 0.462392 O\n0.423428 0.523069 0.736394 O\n0.073626 0.973952 0.770581 O\n0.504897 0.432584 0.254814 O\n0.948681 0.033470 0.245324 O\n",
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