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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=137",
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"results": [
{
"id": "mp-866046",
"created_at": "2022-09-04T14:40:26.657250Z",
"structure_string": "Ti6 In2\n1.0\n2.963496 -5.132925 0.000000\n2.963496 5.132925 0.000000\n0.000000 0.000000 4.791019\nTi In\n6 2\ndirect\n0.164259 0.328517 0.250000 Ti\n0.671483 0.835741 0.250000 Ti\n0.164259 0.835741 0.250000 Ti\n0.835741 0.671483 0.750000 Ti\n0.328517 0.164259 0.750000 Ti\n0.835741 0.164259 0.750000 Ti\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.888116333153457,
"density_atomic": 0.05488615834247339,
"volume": 145.75623876027845,
"volume_molar": 10.97205733078206,
"formula_full": "Ti6 In2",
"formula_reduced": "Ti3In",
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"energy": -53.89181634,
"energy_per_atom": -6.7364770425,
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"updated_at": "2021-11-28T01:34:49.997000Z",
"spacegroup": 194
},
{
"id": "mp-1205189",
"created_at": "2022-09-04T14:40:22.253551Z",
"structure_string": "Dy22 Cd90\n1.0\n0.000000 10.888101 10.888101\n10.888101 0.000000 10.888101\n10.888101 10.888101 0.000000\nDy Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Dy\n0.013674 0.333585 0.639067 Dy\n0.013674 0.013674 0.639067 Dy\n0.333585 0.013674 0.639067 Dy\n0.013674 0.639067 0.333585 Dy\n0.333585 0.639067 0.013674 Dy\n0.013674 0.639067 0.013674 Dy\n0.639067 0.013674 0.013674 Dy\n0.639067 0.333585 0.013674 Dy\n0.639067 0.013674 0.333585 Dy\n0.333585 0.013674 0.013674 Dy\n0.013674 0.013674 0.333585 Dy\n0.013674 0.333585 0.013674 Dy\n0.250000 0.250000 0.250000 Dy\n0.406370 0.406370 0.780891 Dy\n0.406370 0.780891 0.406370 Dy\n0.780891 0.406370 0.406370 Dy\n0.406370 0.406370 0.406370 Dy\n0.662070 0.662070 0.013791 Dy\n0.662070 0.013791 0.662070 Dy\n0.013791 0.662070 0.662070 Dy\n0.662070 0.662070 0.662070 Dy\n0.083344 0.083344 0.749968 Cd\n0.083344 0.749968 0.083344 Cd\n0.749968 0.083344 0.083344 Cd\n0.083344 0.083344 0.083344 Cd\n0.913331 0.913331 0.260008 Cd\n0.913331 0.260008 0.913331 Cd\n0.260008 0.913331 0.913331 Cd\n0.913331 0.913331 0.913331 Cd\n0.156286 0.156286 0.843714 Cd\n0.843714 0.156286 0.843714 Cd\n0.156286 0.843714 0.843714 Cd\n0.843714 0.843714 0.156286 Cd\n0.156286 0.843714 0.156286 Cd\n0.843714 0.156286 0.156286 Cd\n0.390720 0.200847 0.017713 Cd\n0.390720 0.390720 0.017713 Cd\n0.200847 0.390720 0.017713 Cd\n0.390720 0.017713 0.200847 Cd\n0.200847 0.017713 0.390720 Cd\n0.390720 0.017713 0.390720 Cd\n0.017713 0.390720 0.390720 Cd\n0.017713 0.200847 0.390720 Cd\n0.017713 0.390720 0.200847 Cd\n0.200847 0.390720 0.390720 Cd\n0.390720 0.390720 0.200847 Cd\n0.390720 0.200847 0.390720 Cd\n0.163355 0.163355 0.509935 Cd\n0.163355 0.509935 0.163355 Cd\n0.509935 0.163355 0.163355 Cd\n0.163355 0.163355 0.163355 Cd\n0.263210 0.611481 0.862098 Cd\n0.263210 0.263210 0.862098 Cd\n0.611481 0.263210 0.862098 Cd\n0.263210 0.862098 0.611481 Cd\n0.611481 0.862098 0.263210 Cd\n0.263210 0.862098 0.263210 Cd\n0.862098 0.263210 0.263210 Cd\n0.862098 0.611481 0.263210 Cd\n0.862098 0.263210 0.611481 Cd\n0.611481 0.263210 0.263210 Cd\n0.263210 0.263210 0.611481 Cd\n0.263210 0.611481 0.263210 Cd\n0.500000 0.500000 0.500000 Cd\n0.640543 0.450136 0.268777 Cd\n0.640543 0.640543 0.268777 Cd\n0.450136 0.640543 0.268777 Cd\n0.640543 0.268777 0.450136 Cd\n0.450136 0.268777 0.640543 Cd\n0.640543 0.268777 0.640543 Cd\n0.268777 0.640543 0.640543 Cd\n0.268777 0.450136 0.640543 Cd\n0.268777 0.640543 0.450136 Cd\n0.450136 0.640543 0.640543 Cd\n0.640543 0.640543 0.450136 Cd\n0.640543 0.450136 0.640543 Cd\n0.512502 0.833598 0.141397 Cd\n0.512502 0.512502 0.141397 Cd\n0.833598 0.512502 0.141397 Cd\n0.512502 0.141397 0.833598 Cd\n0.833598 0.141397 0.512502 Cd\n0.512502 0.141397 0.512502 Cd\n0.141397 0.512502 0.512502 Cd\n0.141397 0.833598 0.512502 Cd\n0.141397 0.512502 0.833598 Cd\n0.833598 0.512502 0.512502 Cd\n0.512502 0.512502 0.833598 Cd\n0.512502 0.833598 0.512502 Cd\n0.750000 0.750000 0.750000 Cd\n0.830061 0.830061 0.509817 Cd\n0.830061 0.509817 0.830061 Cd\n0.509817 0.830061 0.830061 Cd\n0.830061 0.830061 0.830061 Cd\n0.911445 0.911445 0.588555 Cd\n0.588555 0.911445 0.588555 Cd\n0.911445 0.588555 0.588555 Cd\n0.588555 0.588555 0.911445 Cd\n0.911445 0.588555 0.911445 Cd\n0.588555 0.911445 0.911445 Cd\n0.763994 0.067471 0.404541 Cd\n0.763994 0.763994 0.404541 Cd\n0.067471 0.763994 0.404541 Cd\n0.763994 0.404541 0.067471 Cd\n0.067471 0.404541 0.763994 Cd\n0.763994 0.404541 0.763994 Cd\n0.404541 0.763994 0.763994 Cd\n0.404541 0.067471 0.763994 Cd\n0.404541 0.763994 0.067471 Cd\n0.067471 0.763994 0.763994 Cd\n0.763994 0.763994 0.067471 Cd\n0.763994 0.067471 0.763994 Cd\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Dy",
"Cd"
],
"chemical_system": "Cd-Dy",
"density": 8.807025476575246,
"density_atomic": 0.04338420110516528,
"volume": 2581.5849352280775,
"volume_molar": 13.88095344985622,
"formula_full": "Dy22 Cd90",
"formula_reduced": "Dy11Cd45",
"formula_anonymous": "A11B45",
"energy": -210.1697976,
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"energy_uncorrected": -210.1697976,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:06.578000Z",
"spacegroup": 216
},
{
"id": "mp-1244983",
"created_at": "2022-09-04T14:40:22.989369Z",
"structure_string": "Fe40 O40\n1.0\n10.625443 -0.815077 0.225835\n-0.794983 10.421934 -0.328808\n0.186648 -0.317377 9.938067\nFe O\n40 40\ndirect\n0.114982 0.855735 0.106376 Fe\n0.238320 0.645732 0.834401 Fe\n0.997912 0.057635 0.842628 Fe\n0.840013 0.980933 0.150545 Fe\n0.059962 0.983699 0.427887 Fe\n0.136866 0.854298 0.668495 Fe\n0.894985 0.566506 0.070166 Fe\n0.845537 0.754345 0.308046 Fe\n0.316216 0.468353 0.117156 Fe\n0.403274 0.416315 0.788998 Fe\n0.570079 0.448352 0.278073 Fe\n0.677809 0.304148 0.593623 Fe\n0.475229 0.789783 0.699670 Fe\n0.564726 0.938180 0.287790 Fe\n0.173049 0.183524 0.641788 Fe\n0.881988 0.269620 0.051153 Fe\n0.887619 0.384193 0.774986 Fe\n0.282457 0.951052 0.919888 Fe\n0.873391 0.197612 0.423023 Fe\n0.140320 0.670418 0.330634 Fe\n0.576025 0.963797 0.989974 Fe\n0.457876 0.692797 0.356420 Fe\n0.729171 0.096475 0.773076 Fe\n0.124692 0.335329 0.898451 Fe\n0.347343 0.506927 0.536795 Fe\n0.715457 0.812888 0.838142 Fe\n0.685444 0.580327 0.559068 Fe\n0.317297 0.911186 0.445764 Fe\n0.398625 0.767762 0.092028 Fe\n0.601525 0.308793 0.972058 Fe\n0.957426 0.737631 0.864804 Fe\n0.649712 0.189309 0.264611 Fe\n0.676970 0.920278 0.538347 Fe\n0.997698 0.540907 0.574869 Fe\n0.619169 0.607441 0.028070 Fe\n0.835509 0.481928 0.341477 Fe\n0.134480 0.356480 0.396184 Fe\n0.121102 0.154850 0.176337 Fe\n0.416282 0.105716 0.155765 Fe\n0.418246 0.208408 0.506809 Fe\n0.388639 0.585544 0.718316 O\n0.536136 0.459084 0.919131 O\n0.064123 0.660599 0.729293 O\n0.963407 0.622129 0.257110 O\n0.245217 0.038553 0.097658 O\n0.277429 0.064024 0.555032 O\n0.040891 0.017340 0.651193 O\n0.793539 0.665026 0.937032 O\n0.524144 0.552626 0.446474 O\n0.526347 0.282967 0.152278 O\n0.689745 0.350799 0.394970 O\n0.778380 0.973050 0.962555 O\n0.262553 0.316964 0.517099 O\n0.549385 0.754909 0.966217 O\n0.669028 0.759690 0.649025 O\n0.195324 0.350220 0.214248 O\n0.959682 0.387060 0.437663 O\n0.299967 0.830799 0.766205 O\n0.029507 0.273153 0.735228 O\n0.747209 0.122343 0.570126 O\n0.985490 0.911909 0.236983 O\n0.059334 0.163096 0.376885 O\n0.756659 0.256982 0.892976 O\n0.578507 0.967952 0.787324 O\n0.255687 0.486917 0.935840 O\n0.488140 0.850063 0.483422 O\n0.316639 0.775633 0.276311 O\n0.504906 0.328179 0.652882 O\n0.484467 0.096279 0.352502 O\n0.730579 0.886641 0.325034 O\n0.042788 0.187071 0.000426 O\n0.179190 0.542576 0.465274 O\n0.973858 0.431419 0.962042 O\n0.803935 0.481575 0.650436 O\n0.267873 0.260122 0.802603 O\n0.066151 0.901018 0.910140 O\n0.466950 0.590552 0.171502 O\n0.719730 0.553482 0.169467 O\n0.828117 0.175747 0.215848 O\n0.126736 0.825737 0.464301 O\n",
"nsites": 80,
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"elements": [
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"O"
],
"chemical_system": "Fe-O",
"density": 4.367429083951232,
"density_atomic": 0.073217321633868,
"volume": 1092.6376192788039,
"volume_molar": 8.225021928710307,
"formula_full": "Fe40 O40",
"formula_reduced": "FeO",
"formula_anonymous": "AB",
"energy": -633.0151902800001,
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"updated_at": "2021-11-28T01:34:53.474000Z",
"spacegroup": 1
},
{
"id": "mp-571262",
"created_at": "2022-09-04T14:40:33.478481Z",
"structure_string": "Ca2 Rh4\n1.0\n0.000000 3.792416 3.792416\n3.792416 0.000000 3.792416\n3.792416 3.792416 0.000000\nCa Rh\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.125000 0.125000 0.625000 Rh\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n0.625000 0.125000 0.125000 Rh\n",
"nsites": 6,
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"Rh"
],
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"density": 7.485835643863895,
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"volume": 109.08823275645808,
"volume_molar": 10.949078215317224,
"formula_full": "Ca2 Rh4",
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"updated_at": "2021-11-28T01:34:54.243000Z",
"spacegroup": 227
},
{
"id": "mp-542622",
"created_at": "2022-09-04T14:40:25.194252Z",
"structure_string": "P16 O28\n1.0\n10.688070 0.000000 0.000000\n0.000000 6.942302 0.000000\n0.000000 5.489723 10.406054\nP O\n16 28\ndirect\n0.327499 0.028740 0.044352 P\n0.114883 0.144347 0.163286 P\n0.827499 0.971260 0.455648 P\n0.672501 0.971260 0.955648 P\n0.709987 0.511406 0.012275 P\n0.290013 0.488594 0.987725 P\n0.616685 0.721066 0.610747 P\n0.885117 0.855653 0.836714 P\n0.385117 0.144347 0.663286 P\n0.790013 0.511406 0.512275 P\n0.883315 0.721066 0.110747 P\n0.614883 0.855653 0.336714 P\n0.116685 0.278934 0.889253 P\n0.383315 0.278934 0.389253 P\n0.172501 0.028740 0.544352 P\n0.209987 0.488594 0.487725 P\n0.694124 0.624212 0.386785 O\n0.956909 0.801019 0.977073 O\n0.876933 0.724123 0.489847 O\n0.462652 0.313562 0.280093 O\n0.962652 0.686438 0.219907 O\n0.808550 0.509868 0.126301 O\n0.723845 0.902308 0.578100 O\n0.776155 0.902308 0.078100 O\n0.308550 0.490132 0.373699 O\n0.272962 0.980474 0.661793 O\n0.727038 0.019526 0.338207 O\n0.191450 0.490132 0.873699 O\n0.043091 0.198981 0.022927 O\n0.223845 0.097692 0.921900 O\n0.805876 0.624212 0.886785 O\n0.037348 0.313562 0.780093 O\n0.543091 0.801019 0.477073 O\n0.227038 0.980474 0.161793 O\n0.276155 0.097692 0.421900 O\n0.194124 0.375788 0.113215 O\n0.376933 0.275877 0.010153 O\n0.691450 0.509868 0.626301 O\n0.305876 0.375788 0.613215 O\n0.772962 0.019526 0.838207 O\n0.537348 0.686438 0.719907 O\n0.123067 0.275877 0.510153 O\n0.456909 0.198981 0.522927 O\n0.623067 0.724123 0.989847 O\n",
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{
"id": "mp-731800",
"created_at": "2022-09-04T14:40:23.523595Z",
"structure_string": "Tl4 Br12\n1.0\n6.816239 0.000000 0.000000\n0.000000 10.924777 0.000000\n0.000000 0.000000 13.827353\nTl Br\n4 12\ndirect\n0.667912 0.250000 0.748424 Tl\n0.832088 0.250000 0.248424 Tl\n0.332088 0.750000 0.251576 Tl\n0.167912 0.750000 0.751576 Tl\n0.830515 0.250000 0.583227 Br\n0.669485 0.250000 0.083227 Br\n0.169485 0.750000 0.416773 Br\n0.330515 0.750000 0.916773 Br\n0.576302 0.445417 0.837665 Br\n0.923698 0.054583 0.337665 Br\n0.423698 0.945417 0.162335 Br\n0.076302 0.554583 0.662335 Br\n0.423698 0.554583 0.162335 Br\n0.076302 0.945417 0.662335 Br\n0.576302 0.054583 0.837665 Br\n0.923698 0.445417 0.337665 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"chemical_system": "Br-Tl",
"density": 2.864763831682077,
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"volume": 1029.6661620590935,
"volume_molar": 38.7549660233052,
"formula_full": "Tl4 Br12",
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{
"id": "mp-2324",
"created_at": "2022-09-04T14:40:28.093825Z",
"structure_string": "Pr1 Cd2\n1.0\n2.560132 -4.434279 0.000000\n2.560132 4.434279 0.000000\n0.000000 0.000000 3.503320\nPr Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Cd\n0.666667 0.333333 0.500000 Cd\n",
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"spacegroup": 191
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{
"id": "mp-1186014",
"created_at": "2022-09-04T14:40:27.964511Z",
"structure_string": "Mo3 Pd1\n1.0\n3.969295 0.000000 0.000000\n0.000000 3.969295 0.000000\n0.000000 0.000000 3.969295\nMo Pd\n3 1\ndirect\n0.000000 0.500000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 62.53744461571734,
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"formula_full": "Mo3 Pd1",
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