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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=437",
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"results": [
{
"id": "jvasp-9995",
"created_at": "2022-09-04T14:36:51.612018Z",
"updated_at": "2022-09-04T14:36:51.612037Z",
"structure_string": "Ba2 Na2 B2 O6\n1.0\n5.528362 0.002760 0.755211\n2.684356 4.832911 0.755211\n0.013624 0.008022 6.169039\nBa Na B O\n2 2 2 6\ndirect\n0.833867 0.833866 0.242816 Ba\n0.166133 0.166133 0.757184 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.832006 0.832006 0.751375 B\n0.167994 0.167994 0.248625 B\n0.888635 0.316331 0.210560 O\n0.683668 0.111364 0.789440 O\n0.111365 0.683668 0.789440 O\n0.316332 0.888635 0.210560 O\n0.701687 0.701687 0.680635 O\n0.298313 0.298313 0.319365 O\n",
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"formula_full": "Ba2 Na2 B2 O6",
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{
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"updated_at": "2022-09-04T14:36:51.560998Z",
"structure_string": "Li1 Cd1 Hg2\n1.0\n-11.850093 2.648331 -2.516947\n-8.367555 1.565350 1.005845\n-7.420513 4.243989 -0.634479\nLi Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 -0.000000 Cd\n0.691947 0.040572 0.040572 Hg\n0.308055 0.959424 0.959428 Hg\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-104598",
"created_at": "2022-09-04T14:36:51.857312Z",
"updated_at": "2022-09-04T14:36:51.857332Z",
"structure_string": "Mg2 Hg4\n1.0\n6.150909 0.150715 1.914058\n5.125047 3.404452 1.914058\n0.084250 0.026563 6.728556\nMg Hg\n2 4\ndirect\n0.000237 0.000236 0.749858 Mg\n-0.000236 -0.000237 0.250143 Mg\n0.653945 0.653941 0.917607 Hg\n0.346058 0.346056 0.082394 Hg\n0.654042 0.654038 0.417073 Hg\n0.345961 0.345959 0.582928 Hg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Hg-Mg",
"density": 10.45749282072137,
"density_atomic": 0.04440332358473521,
"volume": 135.12502028255054,
"volume_molar": 13.562364872322908,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2974458333333333,
"spacegroup": 12
},
{
"id": "jvasp-82067",
"created_at": "2022-09-04T14:36:51.940551Z",
"updated_at": "2022-09-04T14:36:51.940581Z",
"structure_string": "Hf2 V1 Rh1\n1.0\n-7.086503 -2.268743 -7.796242\n-4.374180 -0.800630 -0.852720\n-3.513886 1.632644 -2.342788\nHf V Rh\n2 1 1\ndirect\n0.753124 -0.001999 -0.001998 Hf\n0.246875 0.001999 0.001999 Hf\n0.000000 0.000000 0.000000 V\n0.500000 -0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"Rh"
],
"chemical_system": "Hf-Rh-V",
"density": 11.96338507867742,
"density_atomic": 0.056414550471902525,
"volume": 70.90369357799305,
"volume_molar": 10.674800578264556,
"formula_full": "Hf2 V1 Rh1",
"formula_reduced": "Hf2VRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.5251783,
"spacegroup": 12
},
{
"id": "jvasp-80565",
"created_at": "2022-09-04T14:36:52.166657Z",
"updated_at": "2022-09-04T14:36:52.166683Z",
"structure_string": "Al2 Os1 Pd1\n1.0\n-7.159231 -1.956364 -7.495241\n-2.939263 -1.183526 -6.575647\n-3.789672 -3.512554 -5.152498\nAl Os Pd\n2 1 1\ndirect\n0.767004 -0.014118 -0.014083 Al\n0.232996 0.014119 0.014081 Al\n0.500000 0.000000 -0.000001 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.899463396981945,
"density_atomic": 0.0680133924516322,
"volume": 58.811946527216755,
"volume_molar": 8.854345508912312,
"formula_full": "Al2 Os1 Pd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-42476",
"created_at": "2022-09-04T14:36:52.414230Z",
"updated_at": "2022-09-04T14:36:52.414262Z",
"structure_string": "Cr6 S8\n1.0\n0.000000 6.045682 0.023595\n3.456824 0.000000 0.000000\n0.000000 -0.287277 -11.172783\nCr S\n6 8\ndirect\n-0.000007 0.000000 -0.000001 Cr\n0.500010 0.499999 0.500002 Cr\n0.516777 0.499999 0.235545 Cr\n0.016853 0.000000 0.735554 Cr\n0.983149 0.000000 0.264436 Cr\n0.483220 0.499999 0.764460 Cr\n0.675242 0.000000 0.123252 S\n0.175323 0.499999 0.623271 S\n0.154898 0.499999 0.133124 S\n0.654964 0.000000 0.633131 S\n0.345043 0.000000 0.366876 S\n0.845094 0.499999 0.866873 S\n0.824691 0.499999 0.376726 S\n0.324738 0.000000 0.876751 S\n",
"nsites": 14,
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"elements": [
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"S"
],
"chemical_system": "Cr-S",
"density": 4.043306092989445,
"density_atomic": 0.05996359839377719,
"volume": 233.4749810720644,
"volume_molar": 10.04299428538791,
"formula_full": "Cr6 S8",
"formula_reduced": "Cr3S4",
"formula_anonymous": "A3B4",
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"spacegroup": 12
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{
"id": "jvasp-80420",
"created_at": "2022-09-04T14:36:52.480978Z",
"updated_at": "2022-09-04T14:36:52.480996Z",
"structure_string": "Li1 Ge1 Pt2\n1.0\n-9.520252 -2.693438 -3.361799\n-6.650670 -2.456231 0.114042\n-4.076313 1.381786 -1.383654\nLi Ge Pt\n1 1 2\ndirect\n0.000036 -0.000036 0.999964 Li\n0.500038 -0.000040 -0.000035 Ge\n0.747875 0.005679 0.998413 Pt\n0.252049 -0.005601 0.001660 Pt\n",
"nsites": 4,
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"elements": [
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"Ge",
"Pt"
],
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"density": 13.05795635087485,
"density_atomic": 0.06696073963761881,
"volume": 59.73649666427495,
"volume_molar": 8.993539785538356,
"formula_full": "Li1 Ge1 Pt2",
"formula_reduced": "LiGePt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5773921875,
"spacegroup": 12
},
{
"id": "jvasp-13036",
"created_at": "2022-09-04T14:36:52.502631Z",
"updated_at": "2022-09-04T14:36:52.502641Z",
"structure_string": "Sn4 O2 F10\n1.0\n5.406661 0.009423 -1.860374\n-2.155148 5.224994 -0.864775\n-0.046349 -0.011466 8.252104\nSn O F\n4 2 10\ndirect\n0.499999 0.499999 -0.000000 Sn\n-0.000001 0.499999 0.499999 Sn\n0.293367 0.028637 0.322005 Sn\n0.706631 0.971361 0.677994 Sn\n0.694580 0.194580 0.500000 O\n0.305418 0.805418 0.499999 O\n0.340853 0.799588 0.140442 F\n0.659145 0.200410 0.859557 F\n0.771396 0.721855 0.493252 F\n0.228603 0.278143 0.506747 F\n0.158239 0.606228 0.764468 F\n0.841759 0.393770 0.235531 F\n0.682070 0.697409 0.800356 F\n0.897053 0.881713 0.199643 F\n0.317929 0.302589 0.199643 F\n0.102946 0.118285 0.800356 F\n",
"nsites": 16,
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"elements": [
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"F"
],
"chemical_system": "F-O-Sn",
"density": 4.9716936835490655,
"density_atomic": 0.06874686147088149,
"volume": 232.73789752244878,
"volume_molar": 8.759877369166512,
"formula_full": "Sn4 O2 F10",
"formula_reduced": "Sn2OF5",
"formula_anonymous": "AB2C5",
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"spacegroup": 12
},
{
"id": "jvasp-8670",
"created_at": "2022-09-04T14:36:52.566235Z",
"updated_at": "2022-09-04T14:36:52.566255Z",
"structure_string": "Sb2 Te2 I2\n1.0\n4.282476 0.000127 -0.000345\n-2.140743 6.947513 -0.092674\n-2.137393 -1.030896 7.342200\nSb Te I\n2 2 2\ndirect\n0.378346 0.511919 0.245405 Sb\n0.621656 0.488080 0.754595 Sb\n0.077804 0.252176 0.903149 Te\n0.922198 0.747823 0.096851 Te\n0.783578 0.202467 0.365059 I\n0.216424 0.797532 0.634940 I\n",
"nsites": 6,
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"elements": [
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"I"
],
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"density": 5.731174605707423,
"density_atomic": 0.02751836244939753,
"volume": 218.03622984591368,
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"formula_full": "Sb2 Te2 I2",
"formula_reduced": "SbTeI",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-106473",
"created_at": "2022-09-04T14:36:52.663398Z",
"updated_at": "2022-09-04T14:36:52.663423Z",
"structure_string": "K2 Li2 Sn2 O4\n1.0\n5.656887 -0.019755 3.912280\n4.672638 3.188608 3.912280\n-0.211811 -0.064979 9.726802\nK Li Sn O\n2 2 2 4\ndirect\n0.487193 0.487191 0.716108 K\n0.512809 0.512807 0.283892 K\n0.239200 0.239199 0.423181 Li\n0.760802 0.760800 0.576818 Li\n0.188660 0.188659 0.850592 Sn\n0.811342 0.811340 0.149408 Sn\n0.833316 0.833314 0.342371 O\n0.186144 0.186143 0.269178 O\n0.813858 0.813855 0.730822 O\n0.166686 0.166685 0.657628 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "K-Li-O-Sn",
"density": 3.6451779856652884,
"density_atomic": 0.05578649789379337,
"volume": 179.25484440765672,
"volume_molar": 10.794979049348076,
"formula_full": "K2 Li2 Sn2 O4",
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"formula_anonymous": "ABCD2",
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{
"id": "jvasp-4140",
"created_at": "2022-09-04T14:36:52.720591Z",
"updated_at": "2022-09-04T14:36:52.720612Z",
"structure_string": "Ga2 Cl6\n1.0\n5.928761 -0.000000 3.375131\n2.036331 5.626611 3.317779\n0.005523 0.043201 6.885098\nGa Cl\n2 6\ndirect\n0.339349 0.084780 0.236520 Ga\n0.660650 0.915219 0.763480 Ga\n0.741109 0.000000 -0.000000 Cl\n0.258891 0.000000 -0.000000 Cl\n0.689347 0.193083 0.428223 Cl\n0.310653 0.806916 0.571778 Cl\n0.828232 0.547985 0.795550 Cl\n0.171767 0.452015 0.204451 Cl\n",
"nsites": 8,
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"elements": [
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"formula_full": "Ga2 Cl6",
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},
{
"id": "jvasp-79513",
"created_at": "2022-09-04T14:36:52.753204Z",
"updated_at": "2022-09-04T14:36:52.753224Z",
"structure_string": "Na1 N3\n1.0\n2.384795 2.907436 -1.896520\n2.384795 -2.907436 -1.896520\n0.668200 0.000000 -6.163180\nNa N\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.500001 N\n0.933231 0.933231 0.623046 N\n0.066767 0.066767 0.376956 N\n",
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}