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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=11494",
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"results": [
{
"id": "mp-1204399",
"created_at": "2022-09-04T14:41:48.509632Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.070518 0.000000 0.000000\n0.000000 8.182561 0.000000\n0.000000 0.000000 10.113106\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.753912 0.133530 0.650218 Li\n0.253912 0.866470 0.349782 Li\n0.253912 0.633530 0.849782 Li\n0.753912 0.366470 0.150218 Li\n0.750942 0.548909 0.674488 Al\n0.250942 0.451091 0.325512 Al\n0.250942 0.048909 0.825512 Al\n0.750942 0.951091 0.174488 Al\n0.752200 0.846804 0.866713 Si\n0.252200 0.153196 0.133287 Si\n0.252200 0.346804 0.633287 Si\n0.752200 0.653196 0.366713 Si\n0.054836 0.697441 0.055260 H\n0.554836 0.302559 0.944740 H\n0.554836 0.197441 0.444740 H\n0.054836 0.802559 0.555260 H\n0.344970 0.666183 0.102211 H\n0.844970 0.333817 0.897789 H\n0.844970 0.166183 0.397789 H\n0.344970 0.833817 0.602211 H\n0.797262 0.660331 0.526872 O\n0.297262 0.339669 0.473128 O\n0.297262 0.160331 0.973128 O\n0.797262 0.839669 0.026872 O\n0.869105 0.677958 0.801535 O\n0.369105 0.322042 0.198465 O\n0.369105 0.177958 0.698465 O\n0.869105 0.822042 0.301535 O\n0.411338 0.504747 0.695870 O\n0.911338 0.495253 0.304130 O\n0.911338 0.004747 0.804130 O\n0.411338 0.995253 0.195870 O\n0.937692 0.363902 0.672717 O\n0.437692 0.636098 0.327283 O\n0.437692 0.863902 0.827283 O\n0.937692 0.136098 0.172717 O\n0.208644 0.622571 0.043761 O\n0.708644 0.377429 0.956239 O\n0.708644 0.122571 0.456239 O\n0.208644 0.877429 0.543761 O\n",
"nsites": 40,
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"elements": [
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],
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"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy": -274.5522322,
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"updated_at": "2021-11-28T01:35:28.412000Z",
"spacegroup": 33
},
{
"id": "mp-1191292",
"created_at": "2022-09-04T14:42:13.923372Z",
"structure_string": "Li2 Al2 Si4 H2 O14\n1.0\n-0.010710 -5.010664 0.032282\n0.002237 -0.002277 -7.686363\n7.918358 -0.022399 -3.689591\nLi Al Si H O\n2 2 4 2 14\ndirect\n0.866216 0.828651 0.400733 Li\n0.375724 0.115960 0.781471 Li\n0.373087 0.864348 0.199012 Al\n0.853596 0.893729 0.716715 Al\n0.354650 0.022671 0.476111 Si\n0.874406 0.050957 0.991744 Si\n0.411681 0.447161 0.201203 Si\n0.910151 0.461495 0.987774 Si\n0.854616 0.448753 0.465190 H\n0.568116 0.504856 0.709255 H\n0.029016 0.922474 0.169378 O\n0.490076 0.915147 0.368489 O\n0.421853 0.622555 0.255629 O\n0.553089 0.005674 0.011216 O\n0.541635 0.002967 0.636704 O\n0.928479 0.278597 0.939243 O\n0.308647 0.252293 0.359178 O\n0.060153 0.929076 0.542565 O\n0.210945 0.498422 0.040139 O\n0.996050 0.010103 0.835427 O\n0.801086 0.646039 0.827116 O\n0.711088 0.405152 0.150370 O\n0.854998 0.536528 0.520442 O\n0.544432 0.409991 0.660155 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.2120119340892925,
"density_atomic": 0.07870738983593076,
"volume": 304.9268950479634,
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"formula_full": "Li2 Al2 Si4 H2 O14",
"formula_reduced": "LiAlSi2HO7",
"formula_anonymous": "ABCD2E7",
"energy": -175.20495983,
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"updated_at": "2021-11-28T01:35:40.709000Z",
"spacegroup": 1
},
{
"id": "mp-1190535",
"created_at": "2022-09-04T14:47:27.595691Z",
"structure_string": "Li2 Al2 Si4 H1 O14\n1.0\n-0.044136 -5.006560 0.046404\n0.049337 0.013900 7.592178\n-7.941777 -0.004325 3.591222\nLi Al Si H O\n2 2 4 1 14\ndirect\n0.878743 0.187397 0.593499 Li\n0.373843 0.903936 0.201342 Li\n0.396143 0.135376 0.794063 Al\n0.859085 0.109277 0.283411 Al\n0.361277 0.977192 0.517517 Si\n0.893865 0.954356 0.002270 Si\n0.411923 0.558027 0.791153 Si\n0.904208 0.535942 0.011449 Si\n0.694288 0.536924 0.455670 H\n0.052094 0.079401 0.826789 O\n0.506447 0.083085 0.624557 O\n0.466158 0.381221 0.734236 O\n0.572084 0.994059 0.980341 O\n0.548303 0.991924 0.357322 O\n0.957199 0.721170 0.062251 O\n0.310958 0.748476 0.633972 O\n0.068880 0.075708 0.454281 O\n0.182935 0.485996 0.938522 O\n0.005605 0.001004 0.156713 O\n0.801228 0.354031 0.171982 O\n0.682270 0.614320 0.863219 O\n0.828294 0.465254 0.539794 O\n0.294171 0.612725 0.258746 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.2223081664365973,
"density_atomic": 0.07596751635386507,
"volume": 302.7609839561354,
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"formula_full": "Li2 Al2 Si4 H1 O14",
"formula_reduced": "Li2Al2Si4HO14",
"formula_anonymous": "AB2C2D4E14",
"energy": -168.58074236,
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"updated_at": "2021-11-28T01:38:13.896000Z",
"spacegroup": 1
},
{
"id": "mp-1255402",
"created_at": "2022-09-04T14:47:14.141329Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.049294 0.000000 0.000000\n0.000000 8.447254 0.000000\n0.000000 0.000000 11.434880\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.101212 0.707622 0.619815 Li\n0.601212 0.207622 0.880185 Li\n0.601212 0.292378 0.380185 Li\n0.101212 0.792378 0.119815 Li\n0.729958 0.644801 0.352516 Al\n0.229958 0.144801 0.147484 Al\n0.729958 0.855199 0.852516 Al\n0.229958 0.355199 0.647484 Al\n0.199188 0.468838 0.271146 Si\n0.699188 0.968838 0.228854 Si\n0.699188 0.531162 0.728854 Si\n0.199188 0.031162 0.771146 Si\n0.004243 0.981372 0.598941 H\n0.504243 0.481372 0.901059 H\n0.504243 0.018628 0.401059 H\n0.306995 0.154635 0.523807 H\n0.806995 0.845365 0.476193 H\n0.806995 0.654635 0.976193 H\n0.004243 0.518628 0.098941 H\n0.306995 0.345365 0.023807 H\n0.401604 0.534184 0.673296 O\n0.901604 0.034184 0.826704 O\n0.330562 0.231753 0.013083 O\n0.172210 0.949924 0.633719 O\n0.899914 0.081534 0.157480 O\n0.899914 0.418466 0.657480 O\n0.813411 0.709899 0.745742 O\n0.813411 0.790101 0.245742 O\n0.399914 0.581534 0.342520 O\n0.399914 0.918466 0.842520 O\n0.830562 0.768247 0.986917 O\n0.330562 0.268247 0.513083 O\n0.830562 0.731753 0.486917 O\n0.313411 0.209899 0.754258 O\n0.901604 0.465816 0.326704 O\n0.172210 0.550076 0.133719 O\n0.672210 0.050076 0.366281 O\n0.313411 0.290101 0.254258 O\n0.401604 0.965816 0.173296 O\n0.672210 0.449924 0.866281 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
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"Al",
"Si",
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],
"chemical_system": "Al-H-Li-O-Si",
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"density_atomic": 0.08201289984701769,
"volume": 487.72815099348736,
"volume_molar": 7.342918944743286,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy": -271.74421813000004,
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"updated_at": "2021-11-28T01:38:00.887000Z",
"spacegroup": 33
},
{
"id": "mp-644409",
"created_at": "2022-09-04T14:47:55.531809Z",
"structure_string": "Li2 Al2 P2 H2 O10\n1.0\n5.092625 0.000000 0.000000\n-0.724495 5.211562 0.000000\n-2.341523 -2.394901 6.275074\nLi Al P H O\n2 2 2 2 10\ndirect\n0.749950 0.393966 0.313204 Li\n0.250050 0.606034 0.686796 Li\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.327160 0.643139 0.265247 P\n0.672840 0.356861 0.734753 P\n0.337852 0.070850 0.847473 H\n0.662148 0.929150 0.152527 H\n0.697469 0.665660 0.841458 O\n0.302531 0.334340 0.158542 O\n0.355114 0.240227 0.577373 O\n0.644886 0.759773 0.422627 O\n0.874567 0.323570 0.610135 O\n0.125433 0.676430 0.389865 O\n0.263920 0.792517 0.103765 O\n0.736080 0.207483 0.896235 O\n0.136044 0.957713 0.774360 O\n0.863956 0.042287 0.225640 O\n",
"nsites": 18,
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"elements": [
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"P",
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],
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"density": 2.909441435850021,
"density_atomic": 0.10807967920149555,
"volume": 166.5437955866076,
"volume_molar": 5.571945442928987,
"formula_full": "Li2 Al2 P2 H2 O10",
"formula_reduced": "LiAlPHO5",
"formula_anonymous": "ABCDE5",
"energy": -127.65153065,
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"updated_at": "2021-11-28T01:38:15.102000Z",
"spacegroup": 2
},
{
"id": "mp-1235056",
"created_at": "2022-09-04T14:39:33.033411Z",
"structure_string": "Li1 Al2 H2 O4\n1.0\n1.467566 8.184122 0.108743\n-1.467566 8.184122 0.108743\n0.000000 0.007534 3.821229\nLi Al H O\n1 2 2 4\ndirect\n0.899307 0.899307 0.279073 Li\n0.695485 0.695485 0.293594 Al\n0.297341 0.297341 0.785833 Al\n0.069108 0.069108 0.323962 H\n0.938064 0.938064 0.770779 H\n0.284868 0.284868 0.287027 O\n0.723839 0.723839 0.791589 O\n0.129784 0.129784 0.299209 O\n0.875397 0.875397 0.782243 O\n",
"nsites": 9,
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],
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"volume": 91.78916512110398,
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"formula_full": "Li1 Al2 H2 O4",
"formula_reduced": "LiAl2(HO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -56.16228339,
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"updated_at": "2021-11-28T01:34:28.816000Z",
"spacegroup": 8
},
{
"id": "mp-1236333",
"created_at": "2022-09-04T14:44:12.432543Z",
"structure_string": "Li1 Al2 H2 O4\n1.0\n1.432688 7.783362 -0.877308\n-1.432688 7.783362 -0.877308\n0.000000 -0.478486 3.720976\nLi Al H O\n1 2 2 4\ndirect\n0.505810 0.505810 0.777918 Li\n0.699467 0.699467 0.184353 Al\n0.309696 0.309696 0.793904 Al\n0.075844 0.075844 0.279006 H\n0.932901 0.932901 0.133256 H\n0.286135 0.286135 0.271005 O\n0.722781 0.722781 0.708085 O\n0.114640 0.114640 0.093890 O\n0.894392 0.894392 0.871891 O\n",
"nsites": 9,
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"elements": [
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],
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"density": 2.5769497126422514,
"density_atomic": 0.11004685895185606,
"volume": 81.78334289338846,
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"formula_full": "Li1 Al2 H2 O4",
"formula_reduced": "LiAl2(HO2)2",
"formula_anonymous": "AB2C2D4",
"energy": -56.4473896,
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"updated_at": "2021-11-28T01:36:27.267000Z",
"spacegroup": 44
},
{
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