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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4496",
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"results": [
{
"id": "jvasp-121346",
"created_at": "2022-09-04T14:38:50.204053Z",
"updated_at": "2022-09-04T14:38:50.204082Z",
"structure_string": "Li2 Zr6 Mn1 Cl15\n1.0\n8.472628 -0.005770 -2.907234\n-4.322129 7.287294 -2.907234\n0.003289 0.005770 8.957534\nLi Zr Mn Cl\n2 6 1 15\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.760457 0.760456 0.000001 Zr\n-0.000000 0.230720 0.230721 Zr\n0.230721 0.000000 0.230721 Zr\n0.239543 0.239543 0.000000 Zr\n-0.000000 0.769279 0.769279 Zr\n0.769280 0.000000 0.769279 Zr\n0.000000 0.000000 0.000000 Mn\n0.753679 0.753678 0.507358 Cl\n0.252536 0.502949 0.250415 Cl\n0.002121 0.252536 0.749585 Cl\n0.753679 0.246321 0.000000 Cl\n0.252536 0.002121 0.749585 Cl\n0.502950 0.252536 0.250415 Cl\n0.500000 0.000000 0.500000 Cl\n0.747464 -0.002121 0.250415 Cl\n-0.002122 0.747464 0.250415 Cl\n0.246321 0.246321 0.492642 Cl\n0.497050 0.747464 0.749586 Cl\n-0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.246321 0.753678 0.000000 Cl\n0.747464 0.497050 0.749586 Cl\n",
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"Cl"
],
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"density_atomic": 0.043390081731681816,
"volume": 553.1217974746542,
"volume_molar": 13.87907217423575,
"formula_full": "Li2 Zr6 Mn1 Cl15",
"formula_reduced": "Li2Zr6MnCl15",
"formula_anonymous": "AB2C6D15",
"energy_above_hull": 1.6799993855783044,
"spacegroup": 139
},
{
"id": "jvasp-98291",
"created_at": "2022-09-04T14:35:48.970159Z",
"updated_at": "2022-09-04T14:35:48.970185Z",
"structure_string": "H16 Pb4 C8 O24\n1.0\n7.744282 -0.000009 -0.000010\n-0.000010 7.622388 -0.000003\n-0.000011 -0.000003 9.373292\nH Pb C O\n16 4 8 24\ndirect\n0.851883 0.038308 0.166782 H\n0.150488 0.664313 0.603131 H\n0.349512 0.835688 0.103132 H\n0.849513 0.335689 0.396869 H\n0.148116 0.961692 0.833218 H\n0.650488 0.164311 0.896868 H\n0.648117 0.461691 0.666782 H\n0.150487 0.835688 0.103132 H\n0.849513 0.164312 0.896868 H\n0.148117 0.538310 0.333218 H\n0.351883 0.538310 0.333218 H\n0.349513 0.664313 0.603131 H\n0.851883 0.461691 0.666782 H\n0.648117 0.038308 0.166781 H\n0.650488 0.335689 0.396869 H\n0.351883 0.961692 0.833218 H\n0.750000 0.455591 0.095889 Pb\n0.250000 0.544410 0.904111 Pb\n0.249999 0.955591 0.404112 Pb\n0.750000 0.044410 0.595888 Pb\n0.649312 0.722842 0.369064 C\n0.350688 0.277159 0.630935 C\n0.850688 0.722843 0.369065 C\n0.850687 0.777160 0.869066 C\n0.149312 0.222840 0.130934 C\n0.350689 0.222842 0.130936 C\n0.149312 0.277158 0.630935 C\n0.649311 0.777158 0.869063 C\n0.426997 0.111320 0.208586 O\n0.426996 0.388679 0.708586 O\n0.750000 -0.015549 0.121201 O\n0.926421 0.666333 0.948751 O\n0.573578 0.666335 0.948753 O\n0.926998 0.611322 0.291412 O\n0.750000 0.232848 0.863914 O\n0.426421 0.333666 0.051247 O\n0.573002 0.888680 0.791414 O\n0.926996 0.888679 0.791413 O\n0.573580 0.833666 0.448752 O\n0.250000 0.015548 0.878799 O\n0.073579 0.333668 0.051248 O\n0.750000 0.515548 0.621201 O\n0.250000 0.484454 0.378800 O\n0.573004 0.611322 0.291414 O\n0.250000 0.732849 0.636086 O\n0.073003 0.388679 0.708587 O\n0.750000 0.267153 0.363914 O\n0.250000 0.767152 0.136086 O\n0.073578 0.166333 0.551247 O\n0.926422 0.833667 0.448753 O\n0.073004 0.111321 0.208588 O\n0.426421 0.166335 0.551247 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
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"density": 3.9764913457574362,
"density_atomic": 0.09398076728118003,
"volume": 553.3046973794305,
"volume_molar": 6.407843789977181,
"formula_full": "H16 Pb4 C8 O24",
"formula_reduced": "H4Pb(CO3)2",
"formula_anonymous": "AB2C4D6",
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},
{
"id": "jvasp-116943",
"created_at": "2022-09-04T14:38:47.339639Z",
"updated_at": "2022-09-04T14:38:47.339657Z",
"structure_string": "Ba4 In2 Sb2 Se10\n1.0\n9.860121 0.015834 0.000000\n-8.908040 4.227181 0.000000\n-0.000000 -0.000000 13.231190\nBa In Sb Se\n4 2 2 10\ndirect\n0.886520 0.113479 0.812071 Ba\n0.113479 0.886520 0.312071 Ba\n0.870489 0.129509 0.189510 Ba\n0.129509 0.870490 0.689510 Ba\n0.560275 0.439724 0.053480 In\n0.439724 0.560275 0.553480 In\n0.782316 0.217683 0.477580 Sb\n0.217683 0.782316 0.977580 Sb\n0.355595 0.644404 0.998434 Se\n0.644404 0.355595 0.498434 Se\n0.310246 0.689753 0.634002 Se\n0.689753 0.310245 0.134002 Se\n0.954723 0.045275 0.439700 Se\n0.716707 0.283292 0.834959 Se\n0.045276 0.954723 0.939700 Se\n0.496130 0.503869 0.225424 Se\n0.283292 0.716707 0.334959 Se\n0.503869 0.496130 0.725424 Se\n",
"nsites": 18,
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"elements": [
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"In",
"Sb",
"Se"
],
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"density": 5.437802530546256,
"density_atomic": 0.03252919438586655,
"volume": 553.3490865614775,
"volume_molar": 18.51303382605912,
"formula_full": "Ba4 In2 Sb2 Se10",
"formula_reduced": "Ba2InSbSe5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 36
},
{
"id": "jvasp-26862",
"created_at": "2022-09-04T14:38:33.974086Z",
"updated_at": "2022-09-04T14:38:33.974115Z",
"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.221214231702037,
"density_atomic": 0.06505592251181855,
"volume": 553.3700639393742,
"volume_molar": 9.256867826147532,
"formula_full": "Ti20 Si16",
"formula_reduced": "Ti5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.083012896296297,
"spacegroup": 92
},
{
"id": "jvasp-99073",
"created_at": "2022-09-04T14:36:07.170557Z",
"updated_at": "2022-09-04T14:36:07.170581Z",
"structure_string": "Ge12 Pb3 O27\n1.0\n11.510481 0.000000 0.000000\n-5.755240 9.968369 -0.000000\n-0.000000 -0.000000 4.823608\nGe Pb O\n12 3 27\ndirect\n0.666667 0.333333 0.114801 Ge\n0.000000 0.000000 0.000000 Ge\n0.333333 0.666667 0.885199 Ge\n0.148907 0.491400 0.395037 Ge\n0.508600 0.657506 0.395037 Ge\n0.342494 0.851093 0.395037 Ge\n0.657506 0.508600 0.604964 Ge\n0.851093 0.342494 0.604964 Ge\n0.491400 0.148907 0.604964 Ge\n0.180437 0.000000 0.500000 Ge\n0.000000 0.180437 0.500000 Ge\n0.819563 0.819563 0.500000 Ge\n0.673931 0.000000 0.000000 Pb\n0.000000 0.673932 0.000000 Pb\n0.326069 0.326069 0.000000 Pb\n0.248554 0.738397 0.664044 O\n0.491149 0.000000 0.500000 O\n0.602840 0.179484 0.884948 O\n0.820516 0.423355 0.884948 O\n0.576645 0.397161 0.884948 O\n0.423355 0.820516 0.115053 O\n0.397160 0.576645 0.115053 O\n0.179484 0.602840 0.115053 O\n0.510158 0.261603 0.335957 O\n0.738397 0.248553 0.335957 O\n0.751447 0.489842 0.335957 O\n0.489842 0.751447 0.664044 O\n0.154411 0.095314 0.238649 O\n0.324605 0.106790 0.713581 O\n0.893209 0.217814 0.713581 O\n0.782186 0.675395 0.713581 O\n0.217814 0.893210 0.286419 O\n0.675395 0.782186 0.286419 O\n0.106791 0.324605 0.286419 O\n0.000000 0.491149 0.500000 O\n0.904686 0.059097 0.238649 O\n0.940903 0.845589 0.238649 O\n0.059097 0.904686 0.761351 O\n0.845589 0.940903 0.761351 O\n0.095314 0.154411 0.761351 O\n0.261603 0.510158 0.664044 O\n0.508850 0.508850 0.500000 O\n",
"nsites": 42,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 5.776300221671111,
"density_atomic": 0.07588565820411938,
"volume": 553.4642644467446,
"volume_molar": 7.935808824114664,
"formula_full": "Ge12 Pb3 O27",
"formula_reduced": "Ge4PbO9",
"formula_anonymous": "AB4C9",
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"spacegroup": 150
},
{
"id": "jvasp-54522",
"created_at": "2022-09-04T14:38:31.951124Z",
"updated_at": "2022-09-04T14:38:31.951144Z",
"structure_string": "Sm12 Si8 Ni4\n1.0\n4.197630 0.000000 0.000000\n0.000000 11.415697 0.000000\n0.000000 0.000000 11.550087\nSm Si Ni\n12 8 4\ndirect\n0.250000 0.376900 0.058194 Sm\n0.750000 0.941183 0.117554 Sm\n0.250000 0.123100 0.558194 Sm\n0.750000 0.301688 0.786312 Sm\n0.250000 0.441183 0.382446 Sm\n0.250000 0.801688 0.713688 Sm\n0.250000 0.058817 0.882446 Sm\n0.750000 0.623100 0.941806 Sm\n0.250000 0.698313 0.213688 Sm\n0.750000 0.198313 0.286312 Sm\n0.750000 0.558817 0.617554 Sm\n0.750000 0.876901 0.441806 Sm\n0.750000 0.312672 0.526050 Si\n0.750000 0.187328 0.026049 Si\n0.250000 0.006990 0.302576 Si\n0.750000 0.506991 0.197424 Si\n0.750000 0.993010 0.697425 Si\n0.250000 0.812672 0.973951 Si\n0.250000 0.493010 0.802576 Si\n0.250000 0.687328 0.473951 Si\n0.250000 0.364199 0.629692 Ni\n0.250000 0.135801 0.129691 Ni\n0.750000 0.864200 0.870309 Ni\n0.750000 0.635801 0.370309 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Si",
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],
"chemical_system": "Ni-Si-Sm",
"density": 6.791895763988032,
"density_atomic": 0.04336300774293564,
"volume": 553.4671428300518,
"volume_molar": 13.887737667323318,
"formula_full": "Sm12 Si8 Ni4",
"formula_reduced": "Sm3Si2Ni",
"formula_anonymous": "AB2C3",
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"spacegroup": 62
},
{
"id": "jvasp-19109",
"created_at": "2022-09-04T14:37:04.944897Z",
"updated_at": "2022-09-04T14:37:04.944920Z",
"structure_string": "Ba2 Ga8 S14\n1.0\n5.967420 0.000000 0.000000\n0.000000 6.261993 0.000000\n0.000000 0.000000 14.812603\nBa Ga S\n2 8 14\ndirect\n0.450857 0.665977 0.500000 Ba\n0.950857 0.334022 0.000000 Ba\n0.340410 0.828134 0.880245 Ga\n0.840410 0.171866 0.619755 Ga\n0.840410 0.171866 0.380245 Ga\n0.340410 0.828134 0.119755 Ga\n0.356803 0.312210 0.751462 Ga\n0.856803 0.687790 0.748538 Ga\n0.856803 0.687790 0.251462 Ga\n0.356803 0.312210 0.248538 Ga\n0.958293 0.369252 0.500000 S\n0.458293 0.630748 0.000000 S\n0.949628 0.824159 0.612791 S\n0.449628 0.175841 0.887208 S\n0.956938 0.809032 0.114236 S\n0.456938 0.190968 0.385764 S\n0.461852 0.673259 0.744564 S\n0.956938 0.809032 0.885764 S\n0.961852 0.326741 0.244564 S\n0.461852 0.673259 0.255436 S\n0.449628 0.175841 0.112791 S\n0.961852 0.326741 0.755436 S\n0.456938 0.190968 0.614236 S\n0.949628 0.824159 0.387209 S\n",
"nsites": 24,
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"elements": [
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"Ga",
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],
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"density": 3.844019890932154,
"density_atomic": 0.043359141545497075,
"volume": 553.5164937436923,
"volume_molar": 13.888975992942395,
"formula_full": "Ba2 Ga8 S14",
"formula_reduced": "BaGa4S7",
"formula_anonymous": "AB4C7",
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"spacegroup": 31
},
{
"id": "jvasp-10706",
"created_at": "2022-09-04T14:37:10.544574Z",
"updated_at": "2022-09-04T14:37:10.544597Z",
"structure_string": "Rb8 As8\n1.0\n6.654369 0.000000 0.000000\n0.000000 6.917468 0.000000\n0.000000 0.000000 12.025400\nRb As\n8 8\ndirect\n0.096972 0.110748 0.416164 Rb\n0.596972 0.389252 0.583836 Rb\n0.903028 0.610748 0.083836 Rb\n0.403028 0.889252 0.916164 Rb\n0.671077 0.161690 0.218763 Rb\n0.171077 0.338311 0.781237 Rb\n0.328923 0.661690 0.281237 Rb\n0.828923 0.838311 0.718763 Rb\n0.172974 0.180024 0.110838 As\n0.672974 0.319976 0.889162 As\n0.827026 0.680025 0.389162 As\n0.327026 0.819976 0.610838 As\n0.407830 0.430199 0.029195 As\n0.907830 0.069801 0.970805 As\n0.592170 0.930199 0.470805 As\n0.092170 0.569802 0.529195 As\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.028904563337549552,
"volume": 553.5458125815934,
"volume_molar": 20.83456750296834,
"formula_full": "Rb8 As8",
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"spacegroup": 19
},
{
"id": "jvasp-96563",
"created_at": "2022-09-04T14:35:56.733253Z",
"updated_at": "2022-09-04T14:35:56.733270Z",
"structure_string": "Li8 Mg4 Mn12 O32\n1.0\n8.211596 -0.000000 0.000000\n0.000000 8.211596 0.000000\n-0.000000 -0.000000 8.211596\nLi Mg Mn O\n8 4 12 32\ndirect\n0.497337 0.997337 0.502664 Li\n0.247337 0.247337 0.247337 Li\n0.252664 0.752664 0.747337 Li\n0.747337 0.252664 0.752664 Li\n0.997337 0.502664 0.497337 Li\n0.752664 0.747337 0.252664 Li\n0.502664 0.497337 0.997337 Li\n0.002663 0.002663 0.002663 Li\n0.625000 0.625000 0.625000 Mg\n0.875000 0.375000 0.125000 Mg\n0.375000 0.125000 0.875000 Mg\n0.125000 0.875000 0.375000 Mg\n0.120188 0.129812 0.625000 Mn\n0.870189 0.125000 0.379812 Mn\n0.370188 0.375000 0.620189 Mn\n0.129812 0.625000 0.120188 Mn\n0.875000 0.879812 0.629812 Mn\n0.625000 0.120188 0.129812 Mn\n0.379812 0.870189 0.125000 Mn\n0.620189 0.370188 0.375000 Mn\n0.629812 0.875000 0.879812 Mn\n0.375000 0.620189 0.370188 Mn\n0.125000 0.379812 0.870189 Mn\n0.879812 0.629812 0.875000 Mn\n0.616175 0.883826 0.116175 O\n0.357918 0.376065 0.849372 O\n0.876066 0.650629 0.642083 O\n0.623935 0.349372 0.142083 O\n0.633825 0.133825 0.366175 O\n0.849372 0.357918 0.376065 O\n0.373935 0.607918 0.599372 O\n0.116175 0.616175 0.883826 O\n0.107918 0.900629 0.626065 O\n0.349372 0.142083 0.623935 O\n0.133825 0.366175 0.633825 O\n0.642083 0.876066 0.650629 O\n0.650629 0.642083 0.876066 O\n0.883826 0.116175 0.616175 O\n0.142083 0.623935 0.349372 O\n0.626065 0.107918 0.900629 O\n0.857918 0.123935 0.150628 O\n0.900629 0.626065 0.107918 O\n0.376065 0.849372 0.357918 O\n0.383825 0.383825 0.383825 O\n0.599372 0.373935 0.607918 O\n0.400629 0.873935 0.892083 O\n0.873935 0.892083 0.400629 O\n0.150628 0.857918 0.123935 O\n0.366175 0.633825 0.133825 O\n0.099372 0.126065 0.392083 O\n0.866175 0.866175 0.866175 O\n0.392083 0.099372 0.126065 O\n0.607918 0.599372 0.373935 O\n0.126065 0.392083 0.099372 O\n0.892083 0.400629 0.873935 O\n0.123935 0.150628 0.857918 O\n",
"nsites": 56,
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"elements": [
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"O"
],
"chemical_system": "Li-Mg-Mn-O",
"density": 3.9705397695116953,
"density_atomic": 0.10113589067630249,
"volume": 553.7104545727955,
"volume_molar": 5.954504103073143,
"formula_full": "Li8 Mg4 Mn12 O32",
"formula_reduced": "Li2MgMn3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.714900626724138,
"spacegroup": 212
},
{
"id": "jvasp-22901",
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{
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{
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