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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=55",
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"results": [
{
"id": "mp-1206232",
"created_at": "2022-09-04T14:48:10.079041Z",
"structure_string": "Nd2 Cd1 Sb3\n1.0\n9.108975 0.000000 0.000000\n0.000000 9.108975 0.000000\n0.000000 0.000000 41.011323\nNd Cd Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242870 Nd\n0.500000 0.500000 0.757130 Nd\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.690898 Sb\n0.500000 0.500000 0.309102 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Sb"
],
"chemical_system": "Cd-Nd-Sb",
"density": 0.37388175674075,
"density_atomic": 0.001763227905478751,
"volume": 3402.8499556731335,
"volume_molar": 341.54069030372284,
"formula_full": "Nd2 Cd1 Sb3",
"formula_reduced": "Nd2CdSb3",
"formula_anonymous": "AB2C3",
"energy": -11.8522232,
"energy_per_atom": -1.9753705333333331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.2762232,
"band_gap": 0.1359000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.1427472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:33.257000Z",
"spacegroup": 123
},
{
"id": "mp-1199984",
"created_at": "2022-09-04T14:46:30.225111Z",
"structure_string": "B44 H44 C16 S4 I40 N4 F4\n1.0\n10.556242 0.000000 -0.575875\n0.000000 17.499633 0.000000\n0.015929 0.000000 18.418701\nB H C S I N F\n44 44 16 4 40 4 4\ndirect\n0.232133 0.860841 0.899095 B\n0.732133 0.639159 0.399095 B\n0.767867 0.139159 0.100905 B\n0.267867 0.360841 0.600905 B\n0.152688 0.817475 0.972263 B\n0.652688 0.682525 0.472263 B\n0.847312 0.182525 0.027737 B\n0.347312 0.317475 0.527737 B\n0.268226 0.784148 0.040242 B\n0.768226 0.715852 0.540242 B\n0.731774 0.215852 0.959758 B\n0.231774 0.284148 0.459758 B\n0.418970 0.812045 0.010482 B\n0.918970 0.687955 0.510482 B\n0.581030 0.187955 0.989518 B\n0.081030 0.312045 0.489518 B\n0.397526 0.858526 0.923092 B\n0.897526 0.641474 0.423092 B\n0.602474 0.141474 0.076908 B\n0.102474 0.358526 0.576908 B\n0.176728 0.765897 0.889489 B\n0.676728 0.734103 0.389489 B\n0.823272 0.234103 0.110511 B\n0.323272 0.265897 0.610511 B\n0.199416 0.718296 0.975878 B\n0.699416 0.781704 0.475878 B\n0.800584 0.281704 0.024122 B\n0.300584 0.218296 0.524122 B\n0.366501 0.715225 0.999702 B\n0.866501 0.784775 0.499702 B\n0.633499 0.284775 0.000298 B\n0.133499 0.215225 0.500298 B\n0.446752 0.761572 0.928244 B\n0.946752 0.738428 0.428244 B\n0.553248 0.238428 0.071756 B\n0.053248 0.261572 0.571756 B\n0.329668 0.791000 0.859399 B\n0.829668 0.709000 0.359399 B\n0.670332 0.209000 0.140601 B\n0.170332 0.291000 0.640601 B\n0.310392 0.702907 0.906640 B\n0.810392 0.797093 0.406640 B\n0.689608 0.297093 0.093360 B\n0.189608 0.202907 0.593360 B\n0.200814 0.969892 0.017189 H\n0.700814 0.530108 0.517189 H\n0.799186 0.030108 0.982811 H\n0.299186 0.469892 0.482811 H\n0.359554 0.974285 0.023651 H\n0.859554 0.525715 0.523651 H\n0.640446 0.025715 0.976349 H\n0.140446 0.474285 0.476349 H\n0.295435 0.098912 0.174040 H\n0.795435 0.401088 0.674040 H\n0.704565 0.901088 0.825960 H\n0.204565 0.598912 0.325960 H\n0.150712 0.078588 0.216255 H\n0.650712 0.421412 0.716255 H\n0.849288 0.921412 0.783745 H\n0.349288 0.578588 0.283745 H\n0.235970 0.001879 0.174193 H\n0.735970 0.498121 0.674193 H\n0.764030 0.998121 0.825807 H\n0.264030 0.501879 0.325807 H\n0.156063 0.988351 0.346947 H\n0.656063 0.511649 0.846947 H\n0.843937 0.011649 0.653053 H\n0.343937 0.488351 0.153053 H\n0.303120 0.946885 0.379024 H\n0.803120 0.553115 0.879024 H\n0.696880 0.053115 0.620976 H\n0.196880 0.446885 0.120976 H\n0.232425 0.917966 0.291923 H\n0.732425 0.582034 0.791923 H\n0.767575 0.082034 0.708077 H\n0.267575 0.417966 0.208077 H\n0.437671 0.940273 0.228174 H\n0.937671 0.559727 0.728174 H\n0.562329 0.059727 0.771826 H\n0.062329 0.440273 0.271826 H\n0.523806 0.971587 0.310169 H\n0.023807 0.528413 0.810169 H\n0.476193 0.028413 0.689831 H\n0.976194 0.471587 0.189831 H\n0.525114 0.029318 0.229773 H\n0.025114 0.470682 0.729773 H\n0.474886 0.970682 0.770227 H\n0.974886 0.529318 0.270227 H\n0.288558 0.870244 0.991171 C\n0.788558 0.629756 0.491171 C\n0.711442 0.129756 0.008829 C\n0.211442 0.370244 0.508829 C\n0.244181 0.055832 0.204421 C\n0.744181 0.444168 0.704421 C\n0.755819 0.944168 0.795579 C\n0.255819 0.555832 0.295579 C\n0.246579 0.965309 0.330443 C\n0.746579 0.534691 0.830443 C\n0.753421 0.034691 0.669557 C\n0.253421 0.465309 0.169557 C\n0.468596 0.989802 0.261003 C\n0.968596 0.510198 0.761003 C\n0.531404 0.010198 0.738997 C\n0.031404 0.489802 0.238997 C\n0.332726 0.041237 0.289451 S\n0.832726 0.458763 0.789451 S\n0.667274 0.958763 0.710549 S\n0.167274 0.541237 0.210549 S\n0.159186 0.961119 0.842775 I\n0.659186 0.538881 0.342775 I\n0.840814 0.038881 0.157225 I\n0.340814 0.461119 0.657225 I\n0.970255 0.858627 0.002932 I\n0.470255 0.641373 0.502932 I\n0.029745 0.141373 0.997068 I\n0.529745 0.358627 0.497068 I\n0.225425 0.787642 0.153509 I\n0.725425 0.712358 0.653509 I\n0.774575 0.212358 0.846491 I\n0.274575 0.287642 0.346491 I\n0.571176 0.853181 0.083051 I\n0.071176 0.646819 0.583051 I\n0.428824 0.146819 0.916949 I\n0.928824 0.353181 0.416949 I\n0.020364 0.740987 0.811824 I\n0.520364 0.759013 0.311824 I\n0.979636 0.259013 0.188176 I\n0.479636 0.240987 0.688176 I\n0.067581 0.630439 0.007352 I\n0.567581 0.869561 0.507352 I\n0.932419 0.369561 0.992648 I\n0.432419 0.130439 0.492648 I\n0.460384 0.625429 0.063224 I\n0.960384 0.874571 0.563224 I\n0.539616 0.374571 0.936776 I\n0.039616 0.125429 0.436776 I\n0.639128 0.734525 0.901059 I\n0.139128 0.765475 0.401059 I\n0.360872 0.265475 0.098941 I\n0.860872 0.234525 0.598941 I\n0.370410 0.796775 0.745325 I\n0.870410 0.703225 0.245325 I\n0.629590 0.203225 0.254675 I\n0.129590 0.296775 0.754675 I\n0.325069 0.593619 0.851847 I\n0.825069 0.906381 0.351847 I\n0.674931 0.406381 0.148153 I\n0.174931 0.093619 0.648153 I\n0.282098 0.940083 0.028961 N\n0.782098 0.559917 0.528961 N\n0.717902 0.059917 0.971039 N\n0.217902 0.440083 0.471039 N\n0.473705 0.918850 0.907389 F\n0.973705 0.581150 0.407389 F\n0.526295 0.081150 0.092611 F\n0.026295 0.418850 0.592611 F\n",
"nsites": 156,
"nelements": 7,
"elements": [
"B",
"H",
"C",
"S",
"I",
"N",
"F"
],
"chemical_system": "B-C-F-H-I-N-S",
"density": 2.951826151305294,
"density_atomic": 0.04584656823302496,
"volume": 3402.65380839623,
"volume_molar": 13.135423199815492,
"formula_full": "B44 H44 C16 S4 I40 N4 F4",
"formula_reduced": "B11H11C4SI10NF",
"formula_anonymous": "ABCD4E10F11G11",
"energy": -771.07338931,
"energy_per_atom": -4.9427781366025645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -750.60938931,
"band_gap": 2.213,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.836000Z",
"spacegroup": 14
},
{
"id": "mp-1185597",
"created_at": "2022-09-04T14:45:09.491884Z",
"structure_string": "Mg149 Ga1\n1.0\n13.768887 -7.949475 0.000000\n-0.000000 15.898949 -0.000000\n0.000000 0.000000 15.541426\nMg Ga\n149 1\ndirect\n0.198112 0.000896 0.000000 Mg\n0.802784 0.000896 0.000000 Mg\n0.198112 0.197215 0.000000 Mg\n0.999104 0.197215 0.000000 Mg\n0.399215 0.199608 0.000000 Mg\n0.800392 0.199608 0.000000 Mg\n0.599899 0.199797 0.000000 Mg\n0.199250 0.398499 0.000000 Mg\n0.399485 0.399543 0.000000 Mg\n0.000059 0.399543 0.000000 Mg\n0.599899 0.400101 0.000000 Mg\n0.800203 0.400101 0.000000 Mg\n0.199770 0.599886 0.000000 Mg\n0.400114 0.599886 0.000000 Mg\n0.600457 0.600515 0.000000 Mg\n0.000059 0.600515 0.000000 Mg\n0.800392 0.600785 0.000000 Mg\n0.400114 0.800230 0.000000 Mg\n0.199250 0.800750 0.000000 Mg\n0.601500 0.800750 0.000000 Mg\n0.802784 0.801887 0.000000 Mg\n0.999104 0.801888 0.000000 Mg\n0.399485 0.999941 0.000000 Mg\n0.600457 0.999942 0.000000 Mg\n0.065732 0.131463 0.164720 Mg\n0.868537 0.934268 0.164720 Mg\n0.065732 0.934268 0.164720 Mg\n0.266134 0.332417 0.166085 Mg\n0.066284 0.332417 0.166085 Mg\n0.066284 0.733866 0.166085 Mg\n0.667583 0.733866 0.166085 Mg\n0.266134 0.933716 0.166085 Mg\n0.667583 0.933717 0.166085 Mg\n0.666582 0.133277 0.166447 Mg\n0.466696 0.133278 0.166447 Mg\n0.466696 0.333418 0.166447 Mg\n0.866722 0.333418 0.166447 Mg\n0.866722 0.533303 0.166447 Mg\n0.666582 0.533304 0.166447 Mg\n0.666667 0.333333 0.166595 Mg\n0.466670 0.533329 0.166371 Mg\n0.066658 0.533330 0.166371 Mg\n0.466670 0.933342 0.166371 Mg\n0.266512 0.533025 0.166554 Mg\n0.266512 0.733488 0.166554 Mg\n0.466975 0.733488 0.166554 Mg\n0.866343 0.133656 0.167112 Mg\n0.267313 0.133657 0.167112 Mg\n0.866343 0.732687 0.167112 Mg\n0.000000 0.000000 0.332622 Mg\n0.199414 0.999830 0.333133 Mg\n0.800416 0.999830 0.333133 Mg\n0.000169 0.199584 0.333133 Mg\n0.199414 0.199584 0.333133 Mg\n0.800416 0.800585 0.333133 Mg\n0.000169 0.800586 0.333133 Mg\n0.199924 0.399848 0.333038 Mg\n0.199924 0.800076 0.333038 Mg\n0.600152 0.800076 0.333038 Mg\n0.600270 0.999992 0.333141 Mg\n0.399722 0.999992 0.333141 Mg\n0.399722 0.399730 0.333141 Mg\n0.000008 0.399730 0.333141 Mg\n0.600270 0.600278 0.333141 Mg\n0.000008 0.600277 0.333141 Mg\n0.600031 0.200063 0.333107 Mg\n0.600031 0.399969 0.333107 Mg\n0.799937 0.399969 0.333107 Mg\n0.800052 0.199948 0.333285 Mg\n0.399897 0.199948 0.333285 Mg\n0.800052 0.600104 0.333285 Mg\n0.200048 0.600024 0.333225 Mg\n0.399976 0.600024 0.333225 Mg\n0.399976 0.799951 0.333225 Mg\n0.066502 0.133002 0.500000 Mg\n0.866796 0.133204 0.500000 Mg\n0.266410 0.133204 0.500000 Mg\n0.466693 0.133220 0.500000 Mg\n0.666528 0.133220 0.500000 Mg\n0.066409 0.333039 0.500000 Mg\n0.266631 0.333039 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.866781 0.333473 0.500000 Mg\n0.466693 0.333473 0.500000 Mg\n0.866781 0.533307 0.500000 Mg\n0.666528 0.533307 0.500000 Mg\n0.266523 0.533045 0.500000 Mg\n0.066499 0.533250 0.500000 Mg\n0.466750 0.533250 0.500000 Mg\n0.466955 0.733477 0.500000 Mg\n0.266523 0.733478 0.500000 Mg\n0.666961 0.733369 0.500000 Mg\n0.066409 0.733369 0.500000 Mg\n0.866796 0.733591 0.500000 Mg\n0.466750 0.933500 0.500000 Mg\n0.866998 0.933499 0.500000 Mg\n0.066502 0.933499 0.500000 Mg\n0.266631 0.933592 0.500000 Mg\n0.666961 0.933592 0.500000 Mg\n0.200048 0.600024 0.666774 Mg\n0.399976 0.600024 0.666774 Mg\n0.399976 0.799951 0.666774 Mg\n0.800052 0.199948 0.666715 Mg\n0.399897 0.199948 0.666715 Mg\n0.800052 0.600104 0.666715 Mg\n0.600031 0.200063 0.666893 Mg\n0.600031 0.399969 0.666893 Mg\n0.799937 0.399969 0.666893 Mg\n0.600270 0.999992 0.666859 Mg\n0.399722 0.999992 0.666859 Mg\n0.399722 0.399730 0.666859 Mg\n0.000008 0.399730 0.666859 Mg\n0.600270 0.600278 0.666859 Mg\n0.000008 0.600277 0.666859 Mg\n0.199924 0.399848 0.666962 Mg\n0.199924 0.800076 0.666962 Mg\n0.600152 0.800076 0.666962 Mg\n0.199414 0.999830 0.666867 Mg\n0.800416 0.999830 0.666867 Mg\n0.000169 0.199584 0.666867 Mg\n0.199414 0.199584 0.666867 Mg\n0.800416 0.800585 0.666867 Mg\n0.000169 0.800586 0.666867 Mg\n0.000000 0.000000 0.667378 Mg\n0.866343 0.133656 0.832888 Mg\n0.267313 0.133657 0.832888 Mg\n0.866343 0.732687 0.832888 Mg\n0.266512 0.533025 0.833446 Mg\n0.266512 0.733488 0.833446 Mg\n0.466975 0.733488 0.833446 Mg\n0.466670 0.533329 0.833629 Mg\n0.066658 0.533330 0.833629 Mg\n0.466670 0.933342 0.833629 Mg\n0.666667 0.333333 0.833405 Mg\n0.666582 0.133277 0.833552 Mg\n0.466696 0.133278 0.833552 Mg\n0.466696 0.333418 0.833552 Mg\n0.866722 0.333418 0.833552 Mg\n0.866722 0.533303 0.833552 Mg\n0.666582 0.533304 0.833552 Mg\n0.266134 0.332417 0.833915 Mg\n0.066284 0.332417 0.833915 Mg\n0.066284 0.733866 0.833915 Mg\n0.667583 0.733866 0.833915 Mg\n0.266134 0.933716 0.833915 Mg\n0.667583 0.933717 0.833915 Mg\n0.065732 0.131463 0.835280 Mg\n0.868537 0.934268 0.835280 Mg\n0.065732 0.934268 0.835280 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 1.8015851473072235,
"density_atomic": 0.044089293762673856,
"volume": 3402.1864992310334,
"volume_molar": 13.658963993427278,
"formula_full": "Mg149 Ga1",
"formula_reduced": "Mg149Ga",
"formula_anonymous": "AB149",
"energy": -245.82917071,
"energy_per_atom": -1.6388611380666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.82917071,
"band_gap": 0.4813999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.083000Z",
"spacegroup": 187
},
{
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{
"id": "mp-1185573",
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{
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"created_at": "2022-09-04T14:43:41.470988Z",
"structure_string": "Nb8 P32 Se24 Cl40\n1.0\n12.754701 0.000000 0.000000\n0.000000 13.690490 0.000000\n0.000000 0.000000 19.426230\nNb P Se Cl\n8 32 24 40\ndirect\n0.835882 0.927025 0.760877 Nb\n0.164118 0.572975 0.260877 Nb\n0.164118 0.072975 0.239123 Nb\n0.835882 0.427025 0.739123 Nb\n0.664118 0.927025 0.260877 Nb\n0.335882 0.572975 0.760877 Nb\n0.335882 0.072975 0.739123 Nb\n0.664118 0.427025 0.239123 Nb\n0.908701 0.842972 0.891354 P\n0.091299 0.657028 0.391354 P\n0.091299 0.157028 0.108646 P\n0.908701 0.342972 0.608646 P\n0.073019 0.830061 0.929899 P\n0.926981 0.669939 0.429899 P\n0.926981 0.169939 0.070101 P\n0.073019 0.330061 0.570101 P\n0.981006 0.694876 0.901799 P\n0.018994 0.805124 0.401799 P\n0.018994 0.305124 0.098201 P\n0.981006 0.194876 0.598201 P\n0.894732 0.780111 0.061024 P\n0.105268 0.719889 0.561024 P\n0.105268 0.219889 0.938976 P\n0.894732 0.280111 0.438976 P\n0.591299 0.842972 0.391354 P\n0.408701 0.657028 0.891354 P\n0.408701 0.157028 0.608646 P\n0.591299 0.342972 0.108646 P\n0.426981 0.830061 0.429899 P\n0.573019 0.669939 0.929899 P\n0.573019 0.169939 0.570101 P\n0.426981 0.330061 0.070101 P\n0.518994 0.694876 0.401799 P\n0.481006 0.805124 0.901799 P\n0.481006 0.305124 0.598201 P\n0.518994 0.194876 0.098201 P\n0.605268 0.780111 0.561024 P\n0.394732 0.719889 0.061024 P\n0.394732 0.219889 0.438976 P\n0.605268 0.280111 0.938976 P\n0.801474 0.866272 0.982079 Se\n0.198526 0.633728 0.482079 Se\n0.198526 0.133728 0.017921 Se\n0.801474 0.366272 0.517921 Se\n0.056440 0.847634 0.044584 Se\n0.943560 0.652366 0.544584 Se\n0.943560 0.152366 0.955416 Se\n0.056440 0.347634 0.455416 Se\n0.915682 0.637623 0.002053 Se\n0.084318 0.862377 0.502053 Se\n0.084318 0.362377 0.997947 Se\n0.915682 0.137623 0.497947 Se\n0.698526 0.866272 0.482079 Se\n0.301474 0.633728 0.982079 Se\n0.301474 0.133728 0.517921 Se\n0.698526 0.366272 0.017921 Se\n0.443560 0.847634 0.544584 Se\n0.556440 0.652366 0.044584 Se\n0.556440 0.152366 0.455416 Se\n0.443560 0.347634 0.955416 Se\n0.584318 0.637623 0.502053 Se\n0.415682 0.862377 0.002053 Se\n0.415682 0.362377 0.497947 Se\n0.584318 0.137623 0.997947 Se\n0.776104 0.987782 0.658142 Cl\n0.223896 0.512218 0.158142 Cl\n0.223896 0.012218 0.341858 Cl\n0.776104 0.487782 0.841858 Cl\n0.960596 0.047730 0.785899 Cl\n0.039404 0.452270 0.285899 Cl\n0.039404 0.952270 0.214101 Cl\n0.960596 0.547730 0.714101 Cl\n0.718277 0.008351 0.834489 Cl\n0.281723 0.491649 0.334489 Cl\n0.281723 0.991649 0.165511 Cl\n0.718277 0.508351 0.665511 Cl\n0.729692 0.787508 0.767224 Cl\n0.270308 0.712492 0.267224 Cl\n0.270308 0.212492 0.232776 Cl\n0.729692 0.287508 0.732776 Cl\n0.973090 0.828253 0.720315 Cl\n0.026910 0.671747 0.220315 Cl\n0.026910 0.171747 0.279685 Cl\n0.973090 0.328253 0.779685 Cl\n0.723896 0.987782 0.158142 Cl\n0.276104 0.512218 0.658142 Cl\n0.276104 0.012218 0.841858 Cl\n0.723896 0.487782 0.341858 Cl\n0.539404 0.047730 0.285899 Cl\n0.460596 0.452270 0.785899 Cl\n0.460596 0.952270 0.714101 Cl\n0.539404 0.547730 0.214101 Cl\n0.781723 0.008351 0.334489 Cl\n0.218277 0.491649 0.834489 Cl\n0.218277 0.991649 0.665511 Cl\n0.781723 0.508351 0.165511 Cl\n0.770308 0.787508 0.267224 Cl\n0.229692 0.712492 0.767224 Cl\n0.229692 0.212492 0.732776 Cl\n0.770308 0.287508 0.232776 Cl\n0.526910 0.828253 0.220315 Cl\n0.473090 0.671747 0.720315 Cl\n0.473090 0.171747 0.779685 Cl\n0.526910 0.328253 0.279685 Cl\n",
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},
{
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},
{
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]
}