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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10242",
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"results": [
{
"id": "mp-753914",
"created_at": "2022-09-04T14:44:18.107859Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n5.117062 0.000000 0.000000\n0.000000 8.783621 0.000000\n0.000000 5.721734 8.318157\nLi Mn P O\n2 4 4 16\ndirect\n0.561033 0.497088 0.004971 Li\n0.438967 0.497088 0.504971 Li\n0.057999 0.498866 0.242204 Mn\n0.453249 0.001579 0.758225 Mn\n0.546751 0.001579 0.258225 Mn\n0.942001 0.498866 0.742204 Mn\n0.543097 0.745998 0.129522 P\n0.955861 0.249792 0.621598 P\n0.044139 0.249792 0.121598 P\n0.456903 0.745998 0.629522 P\n0.837215 0.709051 0.175505 O\n0.657026 0.259568 0.643669 O\n0.389103 0.579175 0.278011 O\n0.913233 0.420284 0.113073 O\n0.069893 0.067552 0.759766 O\n0.483220 0.739994 0.981953 O\n0.930107 0.067552 0.259766 O\n0.023773 0.278805 0.459139 O\n0.535168 0.929765 0.600507 O\n0.342974 0.259568 0.143669 O\n0.610897 0.579175 0.778011 O\n0.976227 0.278805 0.959139 O\n0.162785 0.709051 0.675505 O\n0.516780 0.739994 0.481953 O\n0.464832 0.929765 0.100507 O\n0.086767 0.420284 0.613073 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7249351955552887,
"density_atomic": 0.06954276712965375,
"volume": 373.8706564771325,
"volume_molar": 8.659621997457299,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -205.83747236,
"energy_per_atom": -7.916825859999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -188.17347236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0023446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.836000Z",
"spacegroup": 7
},
{
"id": "mp-1192181",
"created_at": "2022-09-04T14:44:21.616893Z",
"structure_string": "Au2 C8 N8 O4\n1.0\n8.406001 0.000000 0.000000\n0.000000 6.524680 0.000000\n0.000000 0.149360 7.400608\nAu C N O\n2 8 8 4\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.578485 0.131462 0.725915 C\n0.078485 0.868538 0.774085 C\n0.421515 0.868538 0.274085 C\n0.921515 0.131462 0.225915 C\n0.347824 0.233629 0.458295 C\n0.847824 0.766371 0.041705 C\n0.652176 0.766371 0.541705 C\n0.152176 0.233629 0.958295 C\n0.633787 0.204877 0.854175 N\n0.133787 0.795123 0.645825 N\n0.366213 0.795123 0.145825 N\n0.866213 0.204877 0.354175 N\n0.258934 0.368326 0.434461 N\n0.758934 0.631674 0.065539 N\n0.741066 0.631674 0.565539 N\n0.241066 0.368326 0.934461 N\n0.066274 0.597029 0.414994 O\n0.566274 0.402971 0.085006 O\n0.933726 0.402971 0.585006 O\n0.433726 0.597029 0.914994 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Au",
"C",
"N",
"O"
],
"chemical_system": "Au-C-N-O",
"density": 2.7249144720080762,
"density_atomic": 0.05420091596018272,
"volume": 405.8971995263276,
"volume_molar": 11.110773043806137,
"formula_full": "Au2 C8 N8 O4",
"formula_reduced": "AuC4(N2O)2",
"formula_anonymous": "AB2C4D4",
"energy": -146.30276032999998,
"energy_per_atom": -6.650125469545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.66676033,
"band_gap": 1.7397,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9992312,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.534000Z",
"spacegroup": 14
},
{
"id": "mp-753193",
"created_at": "2022-09-04T14:48:27.084972Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n0.000000 3.658069 10.181657\n3.567645 0.000000 10.181657\n3.567645 3.658069 0.000000\nLi Cr Si O\n4 2 4 12\ndirect\n0.429010 0.904116 0.110351 Li\n0.345884 0.820990 0.693478 Li\n0.693478 0.139649 0.345884 Li\n0.110351 0.556522 0.429010 Li\n0.244936 0.755064 0.244936 Cr\n0.494936 0.005064 0.494936 Cr\n0.930854 0.399706 0.508318 Si\n0.850294 0.319146 0.088878 Si\n0.088878 0.741682 0.850294 Si\n0.508318 0.161122 0.930854 Si\n0.898090 0.580984 0.435752 O\n0.244496 0.074625 0.497648 O\n0.759454 0.488151 0.804878 O\n0.761849 0.490546 0.302483 O\n0.175375 0.005504 0.066769 O\n0.669016 0.351910 0.164826 O\n0.164826 0.814248 0.669016 O\n0.066769 0.752352 0.175375 O\n0.302483 0.445122 0.761849 O\n0.804878 0.947517 0.759454 O\n0.497648 0.183231 0.244496 O\n0.435752 0.085174 0.898090 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.724860271676517,
"density_atomic": 0.08278291147646917,
"volume": 265.75533050988963,
"volume_molar": 7.274618218413081,
"formula_full": "Li4 Cr2 Si4 O12",
"formula_reduced": "Li2Cr(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -164.8484388,
"energy_per_atom": -7.493110854545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.6064388,
"band_gap": 1.2895000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:23.277000Z",
"spacegroup": 43
},
{
"id": "mp-1194415",
"created_at": "2022-09-04T14:41:10.707604Z",
"structure_string": "K6 Mn4 O16\n1.0\n0.000000 -5.874992 0.000000\n-7.401539 0.000000 2.955467\n-0.045665 0.000000 -9.936733\nK Mn O\n6 4 16\ndirect\n0.750000 0.147531 0.541588 K\n0.250000 0.852469 0.458412 K\n0.750000 0.332010 0.953685 K\n0.250000 0.667990 0.046315 K\n0.750000 0.795535 0.787145 K\n0.250000 0.204465 0.212855 K\n0.250000 0.075097 0.835486 Mn\n0.750000 0.924903 0.164514 Mn\n0.250000 0.447301 0.650446 Mn\n0.750000 0.552699 0.349554 Mn\n0.250000 0.597212 0.576764 O\n0.750000 0.402788 0.423236 O\n0.250000 0.246623 0.524482 O\n0.750000 0.753377 0.475518 O\n0.024189 0.471636 0.750718 O\n0.524189 0.528364 0.249282 O\n0.975811 0.528364 0.249282 O\n0.475811 0.471636 0.750718 O\n0.250000 0.279855 0.964700 O\n0.750000 0.720145 0.035300 O\n0.250000 0.925665 0.914642 O\n0.750000 0.074335 0.085358 O\n0.020429 0.050165 0.732291 O\n0.520429 0.949835 0.267709 O\n0.979571 0.949835 0.267709 O\n0.479571 0.050165 0.732291 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 2.7248434960684733,
"density_atomic": 0.06006261016668073,
"volume": 432.8816201601458,
"volume_molar": 10.026438650081738,
"formula_full": "K6 Mn4 O16",
"formula_reduced": "K3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy": -164.17868738,
"energy_per_atom": -6.31456489923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.51468738,
"band_gap": 0.1263999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9974782,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.433000Z",
"spacegroup": 11
},
{
"id": "mp-758648",
"created_at": "2022-09-04T14:39:34.115142Z",
"structure_string": "Li4 Co4 C4 O16\n1.0\n4.111288 -7.259506 0.000000\n4.111288 7.259506 0.000000\n0.000000 0.000000 5.794058\nLi Co C O\n4 4 4 16\ndirect\n0.208143 0.034628 0.499930 Li\n0.034628 0.208143 0.999930 Li\n0.965372 0.791857 0.999930 Li\n0.791857 0.965372 0.499930 Li\n0.695687 0.275912 0.767101 Co\n0.724088 0.304313 0.267101 Co\n0.275912 0.695687 0.267101 Co\n0.304313 0.724088 0.767101 Co\n0.357761 0.154897 0.024985 C\n0.845103 0.642239 0.524985 C\n0.154897 0.357761 0.524985 C\n0.642239 0.845103 0.024985 C\n0.181980 0.079972 0.038153 O\n0.435878 0.177316 0.820541 O\n0.457898 0.207117 0.213689 O\n0.716998 0.162048 0.502090 O\n0.837952 0.283002 0.002090 O\n0.079972 0.181980 0.538153 O\n0.792883 0.542102 0.713689 O\n0.822684 0.564122 0.320541 O\n0.177316 0.435878 0.320541 O\n0.207117 0.457898 0.713689 O\n0.920028 0.818020 0.538153 O\n0.162048 0.716998 0.002090 O\n0.283002 0.837952 0.502090 O\n0.542102 0.792883 0.213689 O\n0.564122 0.822684 0.820541 O\n0.818020 0.920028 0.038153 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"C",
"O"
],
"chemical_system": "C-Co-Li-O",
"density": 2.7248343319583705,
"density_atomic": 0.08095808528235433,
"volume": 345.85798197110887,
"volume_molar": 7.438590894284142,
"formula_full": "Li4 Co4 C4 O16",
"formula_reduced": "LiCoCO4",
"formula_anonymous": "ABCD4",
"energy": -199.60258026,
"energy_per_atom": -7.128663580714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.05858026,
"band_gap": 0.4393,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.033000Z",
"spacegroup": 37
},
{
"id": "mp-867778",
"created_at": "2022-09-04T14:48:09.166476Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n6.761783 0.000000 0.000000\n0.134907 10.170192 0.000000\n0.113768 5.037384 9.070859\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.015051 0.742953 0.252115 Na\n0.483382 0.744030 0.254052 Na\n0.006330 0.759149 0.741629 Na\n0.493322 0.760929 0.741513 Na\n0.986241 0.246583 0.265340 Na\n0.507053 0.249501 0.738145 Na\n0.996442 0.249917 0.742118 Na\n0.738372 0.084233 0.082463 Na\n0.748699 0.645502 0.068091 Mn\n0.750814 0.648460 0.564561 Mn\n0.261378 0.346948 0.428387 Mn\n0.254473 0.349118 0.936595 Mn\n0.248749 0.578304 0.065510 P\n0.250958 0.577671 0.565069 P\n0.752376 0.418032 0.439656 P\n0.751218 0.421847 0.934807 P\n0.749199 0.928824 0.903589 C\n0.751281 0.929212 0.396069 C\n0.248472 0.072069 0.597531 C\n0.247015 0.072366 0.098852 C\n0.246107 0.932275 0.675090 O\n0.246693 0.931368 0.170884 O\n0.746076 0.851111 0.050844 O\n0.748248 0.854177 0.542467 O\n0.748552 0.846077 0.840946 O\n0.747653 0.839459 0.337447 O\n0.061727 0.674844 0.050907 O\n0.436170 0.669201 0.055165 O\n0.063375 0.671524 0.552775 O\n0.437215 0.669177 0.553809 O\n0.252010 0.543811 0.431224 O\n0.748061 0.572601 0.294881 O\n0.250504 0.545661 0.930750 O\n0.751707 0.575876 0.791028 O\n0.241769 0.426576 0.209458 O\n0.756731 0.456477 0.067395 O\n0.250298 0.424768 0.711047 O\n0.758307 0.454013 0.574024 O\n0.565822 0.326439 0.462433 O\n0.939661 0.327281 0.449666 O\n0.569183 0.326728 0.945246 O\n0.933549 0.322151 0.948369 O\n0.251826 0.166383 0.650105 O\n0.237707 0.163288 0.153200 O\n0.248909 0.141530 0.452474 O\n0.258845 0.145668 0.951616 O\n0.752421 0.070749 0.841095 O\n0.757947 0.068413 0.321498 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.724814369923258,
"density_atomic": 0.07694890428003295,
"volume": 623.7905588014364,
"volume_molar": 7.826155312211057,
"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -354.84084212,
"energy_per_atom": -7.392517544166666,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -328.93284212,
"band_gap": 0.6743,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.012187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.025000Z",
"spacegroup": 1
},
{
"id": "mp-1212554",
"created_at": "2022-09-04T14:43:18.030703Z",
"structure_string": "Mg87 Pd12\n1.0\n0.000000 10.110349 10.110349\n10.110349 0.000000 10.110349\n10.110349 10.110349 0.000000\nMg Pd\n87 12\ndirect\n0.160233 0.160233 0.941682 Mg\n0.160233 0.160233 0.737852 Mg\n0.941682 0.737852 0.160233 Mg\n0.941682 0.160233 0.160233 Mg\n0.737852 0.941682 0.160233 Mg\n0.737852 0.160233 0.160233 Mg\n0.160233 0.941682 0.737852 Mg\n0.160233 0.737852 0.941682 Mg\n0.160233 0.941682 0.160233 Mg\n0.737852 0.160233 0.941682 Mg\n0.941682 0.160233 0.737852 Mg\n0.160233 0.737852 0.160233 Mg\n0.521072 0.521072 0.791212 Mg\n0.521072 0.521072 0.166645 Mg\n0.791212 0.166645 0.521072 Mg\n0.791212 0.521072 0.521072 Mg\n0.166645 0.791212 0.521072 Mg\n0.166645 0.521072 0.521072 Mg\n0.521072 0.791212 0.166645 Mg\n0.521072 0.166645 0.791212 Mg\n0.521072 0.791212 0.521072 Mg\n0.166645 0.521072 0.791212 Mg\n0.791212 0.521072 0.166645 Mg\n0.521072 0.166645 0.521072 Mg\n0.770485 0.770485 0.422130 Mg\n0.770485 0.770485 0.036901 Mg\n0.422130 0.036901 0.770485 Mg\n0.422130 0.770485 0.770485 Mg\n0.036901 0.422130 0.770485 Mg\n0.036901 0.770485 0.770485 Mg\n0.770485 0.422130 0.036901 Mg\n0.770485 0.036901 0.422130 Mg\n0.770485 0.422130 0.770485 Mg\n0.036901 0.770485 0.422130 Mg\n0.422130 0.770485 0.036901 Mg\n0.770485 0.036901 0.770485 Mg\n0.355261 0.144739 0.144739 Mg\n0.144739 0.355261 0.355261 Mg\n0.144739 0.355261 0.144739 Mg\n0.355261 0.144739 0.355261 Mg\n0.144739 0.144739 0.355261 Mg\n0.355261 0.355261 0.144739 Mg\n0.018142 0.018142 0.369340 Mg\n0.018142 0.018142 0.594376 Mg\n0.369340 0.594376 0.018142 Mg\n0.369340 0.018142 0.018142 Mg\n0.594376 0.369340 0.018142 Mg\n0.594376 0.018142 0.018142 Mg\n0.018142 0.369340 0.594376 Mg\n0.018142 0.594376 0.369340 Mg\n0.018142 0.369340 0.018142 Mg\n0.594376 0.018142 0.369340 Mg\n0.369340 0.018142 0.594376 Mg\n0.018142 0.594376 0.018142 Mg\n0.915728 0.915728 0.915728 Mg\n0.915728 0.915728 0.252817 Mg\n0.915728 0.252817 0.915728 Mg\n0.252817 0.915728 0.915728 Mg\n0.553632 0.553632 0.553632 Mg\n0.553632 0.553632 0.339104 Mg\n0.553632 0.339104 0.553632 Mg\n0.339104 0.553632 0.553632 Mg\n0.871680 0.628320 0.628320 Mg\n0.628320 0.871680 0.871680 Mg\n0.628320 0.871680 0.628320 Mg\n0.871680 0.628320 0.871680 Mg\n0.628320 0.628320 0.871680 Mg\n0.871680 0.871680 0.628320 Mg\n0.683851 0.316149 0.316149 Mg\n0.316149 0.683851 0.683851 Mg\n0.316149 0.683851 0.316149 Mg\n0.683851 0.316149 0.683851 Mg\n0.316149 0.316149 0.683851 Mg\n0.683851 0.683851 0.316149 Mg\n0.000000 0.000000 0.000000 Mg\n0.284332 0.284332 0.930185 Mg\n0.284332 0.284332 0.501152 Mg\n0.930185 0.501152 0.284332 Mg\n0.930185 0.284332 0.284332 Mg\n0.501152 0.930185 0.284332 Mg\n0.501152 0.284332 0.284332 Mg\n0.284332 0.930185 0.501152 Mg\n0.284332 0.501152 0.930185 Mg\n0.284332 0.930185 0.284332 Mg\n0.501152 0.284332 0.930185 Mg\n0.930185 0.284332 0.501152 Mg\n0.284332 0.501152 0.284332 Mg\n0.417956 0.417956 0.417956 Pd\n0.417956 0.417956 0.746131 Pd\n0.417956 0.746131 0.417956 Pd\n0.746131 0.417956 0.417956 Pd\n0.656813 0.656813 0.656813 Pd\n0.656813 0.656813 0.029561 Pd\n0.656813 0.029561 0.656813 Pd\n0.029561 0.656813 0.656813 Pd\n0.148663 0.148663 0.148663 Pd\n0.148663 0.148663 0.554010 Pd\n0.148663 0.554010 0.148663 Pd\n0.554010 0.148663 0.148663 Pd\n",
"nsites": 99,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 2.7247212903609523,
"density_atomic": 0.047896828454370134,
"volume": 2066.9427015259334,
"volume_molar": 12.573151405498828,
"formula_full": "Mg87 Pd12",
"formula_reduced": "Mg29Pd4",
"formula_anonymous": "A4B29",
"energy": -214.8737993,
"energy_per_atom": -2.170442417171717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -214.8737993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5247993,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.999000Z",
"spacegroup": 216
},
{
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