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"results": [
{
"id": "mp-686724",
"created_at": "2022-09-04T14:46:29.679910Z",
"structure_string": "Sr2 La14 Mg4 Ga12 O45\n1.0\n4.824322 -0.009015 2.758494\n1.595158 4.581206 2.764217\n-0.378741 -0.213333 44.847278\nSr La Mg Ga O\n2 14 4 12 45\ndirect\n0.259197 0.262292 0.024143 Sr\n0.256131 0.256049 0.154477 Sr\n0.277443 0.252426 0.278716 La\n0.793749 0.736804 0.088882 La\n0.208604 0.231874 0.415206 La\n0.755707 0.744416 0.215755 La\n0.245752 0.242055 0.533756 La\n0.704217 0.792427 0.349424 La\n0.246872 0.246071 0.657210 La\n0.747805 0.752340 0.470477 La\n0.253149 0.252564 0.779450 La\n0.751583 0.748628 0.595052 La\n0.252604 0.266998 0.901792 La\n0.750453 0.749982 0.718240 La\n0.749784 0.750248 0.841917 La\n0.750448 0.757546 0.963572 La\n0.969008 0.960927 0.256920 Mg\n0.948476 0.981504 0.380904 Mg\n0.536739 0.513455 0.184886 Mg\n0.521226 0.520753 0.315379 Mg\n0.005934 0.013666 0.993869 Ga\n0.985275 0.001286 0.128640 Ga\n0.528017 0.527968 0.051976 Ga\n0.992170 0.983957 0.504156 Ga\n0.997775 0.995809 0.626296 Ga\n0.486706 0.495487 0.440319 Ga\n0.000435 0.000101 0.749450 Ga\n0.498242 0.495240 0.564832 Ga\n0.004271 0.006548 0.871946 Ga\n0.500429 0.499911 0.687724 Ga\n0.506184 0.504238 0.810443 Ga\n0.503512 0.508727 0.934101 Ga\n0.270050 0.766568 0.022749 O\n0.263167 0.615227 0.093153 O\n0.688261 0.179641 0.042771 O\n0.899519 0.271644 0.087185 O\n0.338535 0.862824 0.135955 O\n0.800183 0.722787 0.020541 O\n0.176492 0.673339 0.221405 O\n0.699343 0.215660 0.163058 O\n0.759271 0.275452 0.222502 O\n0.344994 0.896983 0.258377 O\n0.820912 0.712887 0.156489 O\n0.190797 0.838752 0.336421 O\n0.651869 0.218715 0.293834 O\n0.181060 0.298236 0.468972 O\n0.587700 0.214977 0.361421 O\n0.293033 0.774749 0.401042 O\n0.868251 0.625115 0.298831 O\n0.215872 0.778419 0.467846 O\n0.765500 0.229301 0.411987 O\n0.180359 0.312195 0.594279 O\n0.673921 0.204491 0.481525 O\n0.327321 0.749993 0.524403 O\n0.779031 0.678549 0.418514 O\n0.236185 0.810726 0.587682 O\n0.760811 0.185673 0.540968 O\n0.180984 0.319150 0.719344 O\n0.671733 0.232918 0.605178 O\n0.320054 0.749845 0.648512 O\n0.813945 0.670227 0.539094 O\n0.253191 0.819196 0.710277 O\n0.752813 0.180908 0.665464 O\n0.188402 0.321196 0.844077 O\n0.682076 0.248596 0.727273 O\n0.318290 0.749070 0.772192 O\n0.819292 0.675975 0.658715 O\n0.265749 0.827910 0.832550 O\n0.748121 0.178765 0.789278 O\n0.187626 0.326304 0.967657 O\n0.692807 0.267829 0.849222 O\n0.310080 0.737639 0.896308 O\n0.824538 0.680709 0.779276 O\n0.269407 0.837311 0.954957 O\n0.748892 0.182243 0.912560 O\n0.711188 0.295935 0.970245 O\n0.816878 0.696677 0.899755 O\n",
"nsites": 77,
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"elements": [
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"La",
"Mg",
"Ga",
"O"
],
"chemical_system": "Ga-La-Mg-O-Sr",
"density": 6.275768776962377,
"density_atomic": 0.07711366442594406,
"volume": 998.526014464619,
"volume_molar": 7.809434041074977,
"formula_full": "Sr2 La14 Mg4 Ga12 O45",
"formula_reduced": "Sr2La14Mg4(Ga4O15)3",
"formula_anonymous": "A2B4C12D14E45",
"energy": -576.37337925,
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"updated_at": "2021-11-28T01:37:40.496000Z",
"spacegroup": 1
},
{
"id": "mp-780410",
"created_at": "2022-09-04T14:46:29.685295Z",
"structure_string": "Na12 V4 B8 P2 O32\n1.0\n0.000000 7.016437 7.016437\n7.016437 0.000000 7.016437\n7.016437 7.016437 0.000000\nNa V B P O\n12 4 8 2 32\ndirect\n0.290161 0.709839 0.709839 Na\n0.959839 0.959839 0.540161 Na\n0.709839 0.290161 0.709839 Na\n0.290161 0.709839 0.290161 Na\n0.540161 0.959839 0.959839 Na\n0.540161 0.540161 0.959839 Na\n0.709839 0.290161 0.290161 Na\n0.709839 0.709839 0.290161 Na\n0.540161 0.959839 0.540161 Na\n0.959839 0.540161 0.959839 Na\n0.290161 0.290161 0.709839 Na\n0.959839 0.540161 0.540161 Na\n0.625000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n0.257529 0.914157 0.914157 B\n0.914157 0.257529 0.914157 B\n0.914157 0.914157 0.914157 B\n0.914157 0.914157 0.257529 B\n0.335843 0.335843 0.992471 B\n0.335843 0.335843 0.335843 B\n0.335843 0.992471 0.335843 B\n0.992471 0.335843 0.335843 B\n0.500000 0.500000 0.500000 P\n0.750000 0.750000 0.750000 P\n0.219839 0.988383 0.490991 O\n0.988383 0.219839 0.300787 O\n0.261617 0.949213 0.759009 O\n0.261617 0.759009 0.030161 O\n0.564010 0.564010 0.307971 O\n0.949213 0.030161 0.759009 O\n0.030161 0.759009 0.949213 O\n0.564010 0.564010 0.564010 O\n0.564010 0.307971 0.564010 O\n0.949213 0.261617 0.030161 O\n0.759009 0.261617 0.949213 O\n0.307971 0.564010 0.564010 O\n0.030161 0.949213 0.261617 O\n0.759009 0.949213 0.030161 O\n0.949213 0.759009 0.261617 O\n0.490991 0.219839 0.988383 O\n0.759009 0.030161 0.261617 O\n0.300787 0.490991 0.988383 O\n0.490991 0.300787 0.219839 O\n0.219839 0.300787 0.988383 O\n0.942029 0.685990 0.685990 O\n0.490991 0.988383 0.300787 O\n0.300787 0.988383 0.219839 O\n0.685990 0.942029 0.685990 O\n0.685990 0.685990 0.685990 O\n0.219839 0.490991 0.300787 O\n0.300787 0.219839 0.490991 O\n0.685990 0.685990 0.942029 O\n0.988383 0.490991 0.219839 O\n0.988383 0.300787 0.490991 O\n0.261617 0.030161 0.949213 O\n0.030161 0.261617 0.759009 O\n",
"nsites": 58,
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"elements": [
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"V",
"B",
"P",
"O"
],
"chemical_system": "B-Na-O-P-V",
"density": 2.740291417719247,
"density_atomic": 0.08395529803723223,
"volume": 690.8438342304299,
"volume_molar": 7.1730324360581985,
"formula_full": "Na12 V4 B8 P2 O32",
"formula_reduced": "Na6V2B4PO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -421.39271154,
"energy_per_atom": -7.265391578275862,
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"updated_at": "2021-11-28T01:37:30.208000Z",
"spacegroup": 203
},
{
"id": "mp-1096240",
"created_at": "2022-09-04T14:46:29.731816Z",
"structure_string": "Hf1 Mg1 Ni2\n1.0\n-4.819956 4.842667 6.847288\n4.819956 -4.842667 6.847288\n4.819956 4.842667 -6.847288\nHf Mg Ni\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.272952 0.272952 Ni\n0.000000 0.727048 0.727048 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.006256820921472422,
"volume": 639.3022990753389,
"volume_molar": 96.24921083058271,
"formula_full": "Hf1 Mg1 Ni2",
"formula_reduced": "HfMgNi2",
"formula_anonymous": "ABC2",
"energy": -14.24772711,
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"updated_at": "2021-11-28T01:37:36.666000Z",
"spacegroup": 71
},
{
"id": "mp-1523337",
"created_at": "2022-09-04T14:46:29.736769Z",
"structure_string": "K1 La1 Ce1 Hf1 O6\n1.0\n0.000000 -4.276236 -4.276236\n4.276236 -0.000000 -4.276236\n4.276236 -4.276236 -0.000000\nK La Ce Hf O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hf\n0.741523 0.258477 0.258477 O\n0.258477 0.741523 0.741523 O\n0.741523 0.258477 0.741523 O\n0.258477 0.741523 0.258477 O\n0.741523 0.741523 0.258477 O\n0.258477 0.258477 0.741523 O\n",
"nsites": 10,
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"elements": [
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"Ce",
"Hf",
"O"
],
"chemical_system": "Ce-Hf-K-La-O",
"density": 6.292167491611052,
"density_atomic": 0.06394182216002349,
"volume": 156.39216497417885,
"volume_molar": 9.41815631235647,
"formula_full": "K1 La1 Ce1 Hf1 O6",
"formula_reduced": "KLaCeHfO6",
"formula_anonymous": "ABCDE6",
"energy": -85.95875916,
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"updated_at": "2021-11-28T01:37:35.352000Z",
"spacegroup": 216
},
{
"id": "mp-387",
"created_at": "2022-09-04T14:46:30.293763Z",
"structure_string": "Ce1 Sb1\n1.0\n0.000000 3.185131 3.185131\n3.185131 0.000000 3.185131\n3.185131 3.185131 0.000000\nCe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n",
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"formula_full": "Ce1 Sb1",
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"updated_at": "2021-11-28T01:37:33.612000Z",
"spacegroup": 225
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{
"id": "mp-25953",
"created_at": "2022-09-04T14:46:29.700142Z",
"structure_string": "Li6 Co6 P6 O24\n1.0\n3.734063 -6.467587 0.000000\n3.734063 6.467587 0.000000\n0.000000 0.000000 9.510142\nLi Co P O\n6 6 6 24\ndirect\n0.047717 0.256697 0.252174 Li\n0.743303 0.791020 0.252174 Li\n0.208980 0.952283 0.252174 Li\n0.952283 0.208980 0.752174 Li\n0.256697 0.047717 0.752174 Li\n0.791020 0.743303 0.752174 Li\n0.591660 0.050004 0.978565 Co\n0.949996 0.541657 0.978565 Co\n0.408340 0.458343 0.478565 Co\n0.050004 0.591660 0.478565 Co\n0.458343 0.408340 0.978565 Co\n0.541657 0.949996 0.478565 Co\n0.666667 0.333333 0.676384 P\n0.000000 0.000000 0.999951 P\n0.333333 0.666667 0.176384 P\n0.333333 0.666667 0.772531 P\n0.000000 0.000000 0.499951 P\n0.666667 0.333333 0.272531 P\n0.885820 0.389438 0.321384 O\n0.831927 0.550369 0.624049 O\n0.449631 0.281558 0.624049 O\n0.333333 0.666667 0.603763 O\n0.666667 0.333333 0.842428 O\n0.168073 0.718442 0.124049 O\n0.123231 0.224838 0.441447 O\n0.101607 0.876769 0.441447 O\n0.000000 0.000000 0.162051 O\n0.503618 0.114180 0.321384 O\n0.876769 0.101607 0.941447 O\n0.718442 0.168073 0.624049 O\n0.610562 0.496382 0.321384 O\n0.666667 0.333333 0.103763 O\n0.114180 0.503618 0.821384 O\n0.224838 0.123231 0.941447 O\n0.550369 0.831927 0.124049 O\n0.496382 0.610562 0.821384 O\n0.000000 0.000000 0.662051 O\n0.281558 0.449631 0.124049 O\n0.898393 0.775162 0.941447 O\n0.333333 0.666667 0.342428 O\n0.389438 0.885820 0.821384 O\n0.775162 0.898393 0.441447 O\n",
"nsites": 42,
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"elements": [
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"density_atomic": 0.09143413753936779,
"volume": 459.3470352571164,
"volume_molar": 6.586315485731042,
"formula_full": "Li6 Co6 P6 O24",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -304.12050822,
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"spacegroup": 159
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{
"id": "mp-542450",
"created_at": "2022-09-04T14:46:29.716657Z",
"structure_string": "Cs3 Mn4 P12 O36\n1.0\n5.089565 8.238834 0.000000\n-5.089565 8.238834 0.000000\n0.000000 7.604843 10.079514\nCs Mn P O\n3 4 12 36\ndirect\n0.000000 0.000000 0.500000 Cs\n0.784218 0.215782 0.000000 Cs\n0.215782 0.784218 0.000000 Cs\n0.208192 0.208192 0.588525 Mn\n0.791808 0.791808 0.411475 Mn\n0.749438 0.749438 0.927186 Mn\n0.250562 0.250562 0.072814 Mn\n0.834974 0.418745 0.199706 P\n0.581255 0.165026 0.800294 P\n0.165026 0.581255 0.800294 P\n0.418745 0.834974 0.199706 P\n0.606494 0.197833 0.371606 P\n0.802167 0.393506 0.628394 P\n0.393506 0.802167 0.628394 P\n0.197833 0.606494 0.371606 P\n0.333188 0.333188 0.273215 P\n0.666812 0.666812 0.726785 P\n0.762032 0.762032 0.175215 P\n0.237968 0.237968 0.824785 P\n0.680071 0.346564 0.328479 O\n0.653436 0.319929 0.671521 O\n0.319929 0.653436 0.671521 O\n0.346564 0.680071 0.328479 O\n0.994997 0.294038 0.209809 O\n0.705962 0.005003 0.790191 O\n0.005003 0.705962 0.790191 O\n0.294038 0.994997 0.209809 O\n0.813889 0.563832 0.239698 O\n0.436168 0.186111 0.760302 O\n0.186111 0.436168 0.760302 O\n0.563832 0.813889 0.239698 O\n0.800352 0.491347 0.075648 O\n0.508653 0.199648 0.924352 O\n0.199648 0.508653 0.924352 O\n0.491347 0.800352 0.075648 O\n0.750654 0.054689 0.344002 O\n0.945311 0.249346 0.655998 O\n0.249346 0.945311 0.655998 O\n0.054689 0.750654 0.344002 O\n0.473341 0.177601 0.506362 O\n0.822399 0.526659 0.493638 O\n0.526659 0.822399 0.493638 O\n0.177601 0.473341 0.506362 O\n0.524088 0.274519 0.260859 O\n0.725481 0.475912 0.739141 O\n0.475912 0.725481 0.739141 O\n0.274519 0.524088 0.260859 O\n0.338949 0.338949 0.150405 O\n0.661051 0.661051 0.849595 O\n0.230422 0.230422 0.407402 O\n0.769578 0.769578 0.592598 O\n0.825624 0.825624 0.225124 O\n0.174376 0.174376 0.774876 O\n0.822761 0.822761 0.026523 O\n0.177239 0.177239 0.973477 O\n",
"nsites": 55,
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"formula_full": "Cs3 Mn4 P12 O36",
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},
{
"id": "mp-1220051",
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"structure_string": "Nd1 Ho1 Al4\n1.0\n0.000000 3.973176 3.973176\n3.973176 0.000000 3.973176\n3.973176 3.973176 0.000000\nNd Ho Al\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Ho\n0.624918 0.624918 0.125245 Al\n0.624918 0.125245 0.624918 Al\n0.125245 0.624918 0.624918 Al\n0.624918 0.624918 0.624918 Al\n",
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{
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{
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"structure_string": "Nd4 H16 S8 N4 O32\n1.0\n7.254130 0.000000 0.000000\n0.000000 8.937182 0.000000\n0.000000 0.308294 10.895295\nNd H S N O\n4 16 8 4 32\ndirect\n0.329087 0.944763 0.850373 Nd\n0.170913 0.944763 0.350373 Nd\n0.829087 0.055237 0.649627 Nd\n0.670913 0.055237 0.149627 Nd\n0.594094 0.672475 0.648065 H\n0.905906 0.672475 0.148065 H\n0.698284 0.548500 0.743446 H\n0.748218 0.550472 0.592603 H\n0.801716 0.548500 0.243446 H\n0.751782 0.550472 0.092603 H\n0.041516 0.511590 0.857266 H\n0.541516 0.488410 0.642734 H\n0.458484 0.511590 0.357266 H\n0.958484 0.488410 0.142734 H\n0.248218 0.449528 0.907397 H\n0.198284 0.451500 0.756554 H\n0.251782 0.449528 0.407397 H\n0.301716 0.451500 0.256554 H\n0.094094 0.327525 0.851935 H\n0.405906 0.327525 0.351935 H\n0.830764 0.824382 0.887431 S\n0.669236 0.824382 0.387431 S\n0.162492 0.733898 0.586946 S\n0.337508 0.733898 0.086946 S\n0.662492 0.266102 0.913054 S\n0.837508 0.266102 0.413054 S\n0.330764 0.175618 0.612569 S\n0.169236 0.175618 0.112569 S\n0.645611 0.565297 0.656293 N\n0.854389 0.565297 0.156293 N\n0.145611 0.434703 0.843707 N\n0.354389 0.434703 0.343707 N\n0.986590 0.901393 0.817984 O\n0.513410 0.901393 0.317984 O\n0.676204 0.883406 0.512728 O\n0.663032 0.871138 0.811783 O\n0.050718 0.875158 0.559312 O\n0.823796 0.883406 0.012728 O\n0.836968 0.871138 0.311783 O\n0.449282 0.875158 0.059312 O\n0.303375 0.766412 0.683305 O\n0.196625 0.766412 0.183305 O\n0.242838 0.709815 0.967056 O\n0.257162 0.709815 0.467056 O\n0.848416 0.661490 0.890383 O\n0.651584 0.661490 0.390383 O\n0.044646 0.609285 0.625124 O\n0.455354 0.609285 0.125124 O\n0.544646 0.390715 0.874876 O\n0.955354 0.390715 0.374876 O\n0.348416 0.338510 0.609617 O\n0.151584 0.338510 0.109617 O\n0.742838 0.290185 0.532944 O\n0.757162 0.290185 0.032944 O\n0.803375 0.233588 0.816695 O\n0.696625 0.233588 0.316695 O\n0.550718 0.124842 0.940688 O\n0.163032 0.128862 0.688217 O\n0.176204 0.116594 0.987272 O\n0.949282 0.124842 0.440688 O\n0.336968 0.128862 0.188217 O\n0.323796 0.116594 0.487272 O\n0.486590 0.098607 0.682016 O\n0.013410 0.098607 0.182016 O\n",
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]
}