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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=10158",
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"results": [
{
"id": "mp-780217",
"created_at": "2022-09-04T14:46:23.201579Z",
"structure_string": "Li14 Cu2 O8\n1.0\n6.686738 0.000000 0.000000\n0.000000 6.686738 0.000000\n0.000000 0.000000 4.731030\nLi Cu O\n14 2 8\ndirect\n0.751331 0.751331 0.000000 Li\n0.248669 0.751331 0.000000 Li\n0.500000 0.000000 0.509793 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.009793 Li\n0.751331 0.248669 0.000000 Li\n0.248669 0.248669 0.000000 Li\n0.251331 0.251331 0.500000 Li\n0.748669 0.251331 0.500000 Li\n0.000000 0.500000 0.490207 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.990207 Li\n0.251331 0.748669 0.500000 Li\n0.748669 0.748669 0.500000 Li\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.758554 0.262291 O\n0.741446 0.000000 0.762291 O\n0.258554 0.000000 0.762291 O\n0.500000 0.241446 0.262291 O\n0.000000 0.258554 0.237709 O\n0.241446 0.500000 0.737709 O\n0.758554 0.500000 0.737709 O\n0.000000 0.741446 0.237709 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 2.765219378477053,
"density_atomic": 0.11345585833618888,
"volume": 211.53601367047918,
"volume_molar": 5.307915208887125,
"formula_full": "Li14 Cu2 O8",
"formula_reduced": "Li7CuO4",
"formula_anonymous": "AB4C7",
"energy": -117.97837805999998,
"energy_per_atom": -4.9157657525,
"energy_above_hull": null,
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"energy_uncorrected": -112.48237806,
"band_gap": 1.9921,
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"is_magnetic": false,
"total_magnetization": 0.0003061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.874000Z",
"spacegroup": 137
},
{
"id": "mp-770701",
"created_at": "2022-09-04T14:40:16.274900Z",
"structure_string": "Li4 Si8 Ni2 O20\n1.0\n6.924426 0.000000 0.000000\n-3.360794 6.727634 0.000000\n-2.213796 -2.992455 8.892277\nLi Si Ni O\n4 8 2 20\ndirect\n0.384084 0.241532 0.043732 Li\n0.198386 0.689242 0.573184 Li\n0.801614 0.310758 0.426816 Li\n0.615916 0.758468 0.956268 Li\n0.249472 0.954616 0.194806 Si\n0.392182 0.641126 0.257877 Si\n0.809446 0.615673 0.242032 Si\n0.897917 0.277180 0.139685 Si\n0.102083 0.722820 0.860315 Si\n0.190554 0.384327 0.757968 Si\n0.607818 0.358874 0.742123 Si\n0.750528 0.045384 0.805194 Si\n0.253305 0.316858 0.426108 Ni\n0.746695 0.683142 0.573892 Ni\n0.228043 0.926412 0.014532 O\n0.993483 0.803184 0.197321 O\n0.141749 0.454967 0.133619 O\n0.417778 0.870704 0.267548 O\n0.574866 0.627637 0.178923 O\n0.730672 0.382976 0.125612 O\n0.435233 0.615426 0.422391 O\n0.353405 0.199133 0.267476 O\n0.069134 0.783825 0.710625 O\n0.110824 0.377188 0.586493 O\n0.889176 0.622812 0.413507 O\n0.930866 0.216175 0.289375 O\n0.646595 0.800867 0.732524 O\n0.564767 0.384574 0.577609 O\n0.269328 0.617024 0.874388 O\n0.425134 0.372363 0.821077 O\n0.582222 0.129296 0.732452 O\n0.858251 0.545033 0.866381 O\n0.006517 0.196816 0.802679 O\n0.771957 0.073588 0.985468 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Si",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Si",
"density": 2.7652062135845488,
"density_atomic": 0.08207668343945365,
"volume": 414.24675772969226,
"volume_molar": 7.337212601240662,
"formula_full": "Li4 Si8 Ni2 O20",
"formula_reduced": "Li2Si4NiO10",
"formula_anonymous": "AB2C4D10",
"energy": -257.88146976,
"energy_per_atom": -7.584749110588236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.05946976,
"band_gap": 3.4654,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.111000Z",
"spacegroup": 2
},
{
"id": "mp-25466",
"created_at": "2022-09-04T14:47:10.044950Z",
"structure_string": "Li2 Cu2 P2 C2 O14\n1.0\n6.412109 0.000000 0.000000\n0.000000 5.001830 0.000000\n0.000000 0.511542 8.443180\nLi Cu P C O\n2 2 2 2 14\ndirect\n0.013295 0.219462 0.248262 Li\n0.513295 0.780538 0.751738 Li\n0.745874 0.792295 0.338926 Cu\n0.245874 0.207705 0.661074 Cu\n0.253010 0.718948 0.424781 P\n0.753010 0.281052 0.575219 P\n0.746873 0.725076 0.060499 C\n0.246873 0.274924 0.939501 C\n0.566664 0.175753 0.677150 O\n0.751752 0.958297 0.122632 O\n0.263929 0.468536 0.828536 O\n0.763929 0.531464 0.171464 O\n0.436528 0.788708 0.312688 O\n0.769864 0.154981 0.413208 O\n0.936528 0.211292 0.687312 O\n0.269864 0.845019 0.586792 O\n0.066664 0.824247 0.322850 O\n0.231946 0.408772 0.460628 O\n0.723466 0.692153 0.917749 O\n0.223466 0.307847 0.082251 O\n0.731946 0.591228 0.539372 O\n0.251752 0.041703 0.877368 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Cu",
"P",
"C",
"O"
],
"chemical_system": "C-Cu-Li-O-P",
"density": 2.7652010466099597,
"density_atomic": 0.08124316040150052,
"volume": 270.79202595365393,
"volume_molar": 7.412489531720351,
"formula_full": "Li2 Cu2 P2 C2 O14",
"formula_reduced": "LiCuPCO7",
"formula_anonymous": "ABCDE7",
"energy": -151.1203641,
"energy_per_atom": -6.869107459090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.5023641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7977292,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.050000Z",
"spacegroup": 4
},
{
"id": "mp-754949",
"created_at": "2022-09-04T14:44:13.993637Z",
"structure_string": "Li8 Mn4 Si8 O24\n1.0\n-0.001434 -0.000864 7.305300\n-9.843450 3.692293 0.001553\n0.000970 -7.382249 0.000529\nLi Mn Si O\n8 4 8 24\ndirect\n0.721327 0.835122 0.191072 Li\n0.221324 0.835114 0.691091 Li\n0.471312 0.663970 0.355604 Li\n0.971292 0.663977 0.855631 Li\n0.471281 0.335033 0.644804 Li\n0.971266 0.335003 0.144734 Li\n0.721079 0.163930 0.809171 Li\n0.221080 0.163940 0.309151 Li\n0.217093 0.499570 0.500385 Mn\n0.466977 0.999421 0.500076 Mn\n0.717122 0.499571 0.000404 Mn\n0.966963 0.999432 0.000155 Mn\n0.286980 0.832461 0.101360 Si\n0.786997 0.832497 0.601376 Si\n0.537302 0.666866 0.768615 Si\n0.037237 0.666870 0.268592 Si\n0.536861 0.332085 0.231737 Si\n0.036860 0.332072 0.731747 Si\n0.286796 0.166675 0.898975 Si\n0.786793 0.166693 0.398986 Si\n0.315878 0.982757 0.259804 O\n0.815849 0.982788 0.759895 O\n0.567053 0.516514 0.776084 O\n0.066765 0.516531 0.276050 O\n0.565969 0.482397 0.224088 O\n0.065958 0.482405 0.724113 O\n0.316142 0.016422 0.740584 O\n0.816112 0.016444 0.240626 O\n0.131724 0.825778 0.939225 O\n0.631742 0.825818 0.439264 O\n0.881811 0.673484 0.113263 O\n0.381835 0.673471 0.613275 O\n0.881129 0.325305 0.886787 O\n0.381135 0.325320 0.386793 O\n0.131191 0.173152 0.060730 O\n0.631149 0.173163 0.560707 O\n0.237619 0.725389 0.219133 O\n0.737648 0.725447 0.719173 O\n0.487699 0.774154 0.993466 O\n0.987682 0.774154 0.493435 O\n0.487211 0.225140 0.006886 O\n0.987214 0.225138 0.506882 O\n0.237610 0.273763 0.781196 O\n0.737603 0.273765 0.281191 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.765183965208781,
"density_atomic": 0.0828895948305597,
"volume": 530.8265782930102,
"volume_molar": 7.265255394612882,
"formula_full": "Li8 Mn4 Si8 O24",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -338.89369226,
"energy_per_atom": -7.702129369545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -315.73369226,
"band_gap": 3.4868999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.264000Z",
"spacegroup": 43
},
{
"id": "mp-753576",
"created_at": "2022-09-04T14:45:26.563626Z",
"structure_string": "Na5 Mn2 P2 C2 O14\n1.0\n6.845208 0.000000 0.000000\n0.000000 5.203130 0.000000\n0.000000 0.049689 9.017037\nNa Mn P C O\n5 2 2 2 14\ndirect\n0.243830 0.757120 0.749847 Na\n0.756170 0.757120 0.749847 Na\n0.743271 0.247110 0.253786 Na\n0.256729 0.247110 0.253786 Na\n0.500000 0.761674 0.078646 Na\n0.500000 0.222950 0.638254 Mn\n0.000000 0.781446 0.353731 Mn\n0.000000 0.292392 0.578548 P\n0.500000 0.701540 0.412790 P\n0.500000 0.268032 0.936552 C\n0.000000 0.727033 0.076969 C\n0.000000 0.722937 0.938469 O\n0.500000 0.043397 0.873386 O\n0.500000 0.473782 0.853698 O\n0.185427 0.227409 0.666314 O\n0.814573 0.227409 0.666314 O\n0.000000 0.594453 0.543611 O\n0.500000 0.819370 0.569995 O\n0.000000 0.155747 0.424118 O\n0.500000 0.402650 0.425387 O\n0.682462 0.786796 0.320389 O\n0.317538 0.786796 0.320389 O\n0.000000 0.525422 0.164873 O\n0.000000 0.945355 0.152953 O\n0.500000 0.286381 0.079770 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.7651169912629494,
"density_atomic": 0.0778439438712147,
"volume": 321.15536234084044,
"volume_molar": 7.736171191381376,
"formula_full": "Na5 Mn2 P2 C2 O14",
"formula_reduced": "Na5Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -181.91979003,
"energy_per_atom": -7.2767916012,
"energy_above_hull": null,
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"energy_uncorrected": -168.96579003,
"band_gap": 0.1540999999999999,
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"is_magnetic": true,
"total_magnetization": 9.0041433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.133000Z",
"spacegroup": 6
},
{
"id": "mp-767546",
"created_at": "2022-09-04T14:40:03.035783Z",
"structure_string": "Na4 As2 P2 C2 O14\n1.0\n6.662436 0.000000 0.000000\n0.000000 5.410303 0.000000\n0.000000 0.971802 9.192652\nNa As P C O\n4 2 2 2 14\ndirect\n0.490151 0.249254 0.770945 Na\n0.009849 0.249254 0.770945 Na\n0.509849 0.750746 0.229055 Na\n0.990151 0.750746 0.229055 Na\n0.750000 0.826308 0.636349 As\n0.250000 0.173692 0.363651 As\n0.250000 0.740289 0.601168 P\n0.750000 0.259711 0.398832 P\n0.750000 0.706790 0.917003 C\n0.250000 0.293210 0.082997 C\n0.250000 0.275312 0.949218 O\n0.750000 0.926417 0.825131 O\n0.750000 0.509974 0.850836 O\n0.064098 0.863386 0.666095 O\n0.435902 0.863386 0.666095 O\n0.750000 0.176725 0.572938 O\n0.250000 0.459262 0.621954 O\n0.750000 0.540738 0.378046 O\n0.250000 0.823275 0.427062 O\n0.564098 0.136614 0.333905 O\n0.935902 0.136614 0.333905 O\n0.250000 0.490026 0.149164 O\n0.250000 0.073583 0.174869 O\n0.750000 0.724688 0.050782 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"As",
"P",
"C",
"O"
],
"chemical_system": "As-C-Na-O-P",
"density": 2.7650695351008974,
"density_atomic": 0.07242954946663034,
"volume": 331.3564722787245,
"volume_molar": 8.31448049083132,
"formula_full": "Na4 As2 P2 C2 O14",
"formula_reduced": "Na2AsPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -165.61465123,
"energy_per_atom": -6.900610467916667,
"energy_above_hull": null,
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"energy_uncorrected": -155.99665123,
"band_gap": 3.979,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.581000Z",
"spacegroup": 11
},
{
"id": "mp-768834",
"created_at": "2022-09-04T14:42:40.863172Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n8.549048 0.000000 0.000000\n-4.245051 7.438929 0.000000\n-4.169029 -2.399148 7.773886\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.187845 0.930151 0.857963 Li\n0.609282 0.676492 0.870526 Li\n0.923579 0.261002 0.849004 Li\n0.076421 0.738998 0.150996 Li\n0.390718 0.323508 0.129474 Li\n0.812155 0.069849 0.142037 Li\n0.295355 0.150933 0.439618 Mn\n0.704645 0.849067 0.560382 Mn\n0.306258 0.654182 0.960150 V\n0.693742 0.345818 0.039850 V\n0.212620 0.260619 0.750620 P\n0.494724 0.954391 0.750748 P\n0.799126 0.543256 0.752425 P\n0.200874 0.456744 0.247575 P\n0.505276 0.045609 0.249252 P\n0.787380 0.739381 0.249380 P\n0.368648 0.212820 0.893986 O\n0.001672 0.138461 0.743852 O\n0.313470 0.477851 0.822774 O\n0.349350 0.836701 0.823088 O\n0.685605 0.155058 0.895599 O\n0.742405 0.527503 0.899918 O\n0.198884 0.224956 0.583021 O\n0.606726 0.861975 0.741707 O\n0.367663 0.980850 0.585784 O\n0.989376 0.517139 0.819802 O\n0.880461 0.749088 0.749481 O\n0.610582 0.393242 0.586827 O\n0.389418 0.606758 0.413173 O\n0.119539 0.250912 0.250519 O\n0.010624 0.482861 0.180198 O\n0.632337 0.019150 0.414216 O\n0.393274 0.138025 0.258293 O\n0.801116 0.775044 0.416979 O\n0.257595 0.472497 0.100082 O\n0.314395 0.844942 0.104401 O\n0.650650 0.163299 0.176912 O\n0.686530 0.522149 0.177226 O\n0.998328 0.861539 0.256148 O\n0.631352 0.787180 0.106014 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.765067069714165,
"density_atomic": 0.08090840775777051,
"volume": 494.386196793724,
"volume_molar": 7.443158167232167,
"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -303.88880001,
"energy_per_atom": -7.59722000025,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -280.66480001,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 11.999953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.262000Z",
"spacegroup": 2
},
{
"id": "mp-1193522",
"created_at": "2022-09-04T14:43:54.329926Z",
"structure_string": "Ca2 Cd4 Cl12 O12\n1.0\n-8.135466 0.000000 0.000000\n1.815203 8.987911 0.000000\n-0.118213 -2.105995 -9.422646\nCa Cd Cl O\n2 4 12 12\ndirect\n0.674444 0.878448 0.141269 Ca\n0.325556 0.121552 0.858731 Ca\n0.134415 0.567955 0.692344 Cd\n0.865585 0.432045 0.307656 Cd\n0.651977 0.545690 0.684006 Cd\n0.348023 0.454310 0.315994 Cd\n0.232970 0.831369 0.880226 Cl\n0.767030 0.168631 0.119774 Cl\n0.690233 0.801525 0.870120 Cl\n0.309767 0.198475 0.129880 Cl\n0.915273 0.670621 0.538237 Cl\n0.084727 0.329379 0.461763 Cl\n0.405824 0.659778 0.554941 Cl\n0.594176 0.340222 0.445059 Cl\n0.121951 0.535780 0.179140 Cl\n0.878049 0.464220 0.820860 Cl\n0.631393 0.601673 0.209088 Cl\n0.368607 0.398327 0.790912 Cl\n0.000982 0.025929 0.764229 O\n0.999018 0.974071 0.235771 O\n0.559120 0.001219 0.717359 O\n0.440880 0.998781 0.282641 O\n0.227027 0.915379 0.449944 O\n0.772973 0.084621 0.550056 O\n0.690242 0.953903 0.524699 O\n0.309758 0.046097 0.475301 O\n0.994916 0.839141 0.173463 O\n0.005084 0.160859 0.826537 O\n0.357537 0.864846 0.253139 O\n0.642463 0.135154 0.746861 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ca",
"Cd",
"Cl",
"O"
],
"chemical_system": "Ca-Cd-Cl-O",
"density": 2.7649358867656653,
"density_atomic": 0.04354188050779174,
"volume": 688.9918315455291,
"volume_molar": 13.830685973524616,
"formula_full": "Ca2 Cd4 Cl12 O12",
"formula_reduced": "CaCd2(ClO)6",
"formula_anonymous": "AB2C6D6",
"energy": -114.8175932,
"energy_per_atom": -3.827253106666667,
"energy_above_hull": null,
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"energy_uncorrected": -112.8855932,
"band_gap": 0.0847,
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"is_magnetic": true,
"total_magnetization": 8.0028089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.003000Z",
"spacegroup": 2
},
{
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