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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1153",
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"results": [
{
"id": "jvasp-5827",
"created_at": "2022-09-04T14:35:50.829216Z",
"updated_at": "2022-09-04T14:35:50.829250Z",
"structure_string": "Cu4 Se8 Cl4\n1.0\n0.000000 7.753843 0.082524\n4.874678 0.000000 0.000000\n0.000000 -5.104377 -10.217021\nCu Se Cl\n4 8 4\ndirect\n0.175544 0.329010 0.247072 Cu\n0.824455 0.829010 0.252929 Cu\n0.824455 0.670991 0.752929 Cu\n0.175544 0.170990 0.747072 Cu\n0.293064 0.504038 0.647432 Se\n0.706935 0.004038 0.852569 Se\n0.706936 0.495962 0.352569 Se\n0.293064 -0.004038 0.147432 Se\n0.575888 0.333407 0.652741 Se\n0.424111 0.833407 0.847259 Se\n0.424111 0.666593 0.347259 Se\n0.575889 0.166593 0.152741 Se\n0.902193 0.576806 0.111282 Cl\n0.097807 0.076806 0.388718 Cl\n0.097807 0.423194 0.888718 Cl\n0.902193 0.923194 0.611282 Cl\n",
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"elements": [
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"volume": 384.12434929481003,
"volume_molar": 14.457818129979705,
"formula_full": "Cu4 Se8 Cl4",
"formula_reduced": "CuSe2Cl",
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{
"id": "jvasp-14101",
"created_at": "2022-09-04T14:37:15.578420Z",
"updated_at": "2022-09-04T14:37:15.578442Z",
"structure_string": "In2 Cu2 P4 Se12\n1.0\n3.224693 -5.585333 -0.000000\n3.224693 5.585333 0.000000\n-0.000000 0.000000 13.329358\nIn Cu P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 In\n0.000000 0.000000 0.750000 In\n0.666666 0.333333 0.250000 Cu\n0.333333 0.666666 0.750000 Cu\n0.666666 0.333333 0.664457 P\n0.666666 0.333333 0.835543 P\n0.333333 0.666666 0.335543 P\n0.333333 0.666666 0.164457 P\n0.348071 0.006898 0.120559 Se\n0.993101 0.341172 0.120559 Se\n0.993101 0.651928 0.379441 Se\n0.651929 0.658827 0.620559 Se\n0.006898 0.348071 0.620559 Se\n0.658827 0.006898 0.379441 Se\n0.651928 0.993101 0.879442 Se\n0.341172 0.348070 0.879442 Se\n0.658827 0.651929 0.120559 Se\n0.006898 0.658827 0.879442 Se\n0.341172 0.993101 0.620559 Se\n0.348070 0.341172 0.379441 Se\n",
"nsites": 20,
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"elements": [
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"P",
"Se"
],
"chemical_system": "Cu-In-P-Se",
"density": 4.939058084742066,
"density_atomic": 0.04165367476327416,
"volume": 480.14971340857306,
"volume_molar": 14.457645800100432,
"formula_full": "In2 Cu2 P4 Se12",
"formula_reduced": "InCu(PSe3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 163
},
{
"id": "jvasp-94922",
"created_at": "2022-09-04T14:36:13.491561Z",
"updated_at": "2022-09-04T14:36:13.491577Z",
"structure_string": "Pd1 Br4 N2\n1.0\n-0.000000 0.000000 3.424193\n7.005452 0.000000 -0.000000\n-0.000000 7.005452 0.000000\nPd Br N\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pd\n0.000000 0.244526 0.244526 Br\n0.000000 0.755474 0.755474 Br\n0.000000 0.755474 0.244526 Br\n0.000000 0.244526 0.755474 Br\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pd",
"Br",
"N"
],
"chemical_system": "Br-N-Pd",
"density": 4.486644350526295,
"density_atomic": 0.04165503286599602,
"volume": 168.04692058505768,
"volume_molar": 14.4571744292537,
"formula_full": "Pd1 Br4 N2",
"formula_reduced": "Pd(Br2N)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0957769457142854,
"spacegroup": 123
},
{
"id": "jvasp-105493",
"created_at": "2022-09-04T14:36:45.643760Z",
"updated_at": "2022-09-04T14:36:45.643772Z",
"structure_string": "In1 Ag2 Bi1 Se4\n1.0\n6.914846 -0.009776 1.204753\n5.707750 3.903432 1.204753\n0.000157 0.000048 7.100575\nIn Ag Bi Se\n1 2 1 4\ndirect\n0.500001 0.499999 -0.000000 In\n0.254815 0.254814 0.750428 Ag\n0.745187 0.745185 0.249572 Ag\n0.000000 0.000000 0.500000 Bi\n0.126431 0.126430 0.112726 Se\n0.631053 0.631051 0.632876 Se\n0.873571 0.873568 0.887274 Se\n0.368949 0.368947 0.367124 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ag",
"Bi",
"Se"
],
"chemical_system": "Ag-Bi-In-Se",
"density": 7.395845909479685,
"density_atomic": 0.04165549429003383,
"volume": 192.05149611954113,
"volume_molar": 14.457014285005881,
"formula_full": "In1 Ag2 Bi1 Se4",
"formula_reduced": "InAg2BiSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.7500840320833333,
"spacegroup": 12
},
{
"id": "jvasp-5245",
"created_at": "2022-09-04T14:37:29.039756Z",
"updated_at": "2022-09-04T14:37:29.039776Z",
"structure_string": "Pt6 Cl12\n1.0\n7.730310 -0.024380 -2.533742\n-3.490054 6.897667 -2.533742\n-0.015040 -0.024380 8.134944\nPt Cl\n6 12\ndirect\n0.077771 0.333043 0.077771 Pt\n0.333042 0.077771 0.077771 Pt\n0.666958 0.922230 0.922230 Pt\n0.922230 0.666958 0.922229 Pt\n0.922230 0.922230 0.666958 Pt\n0.077771 0.077771 0.333042 Pt\n0.600056 0.600055 0.851372 Cl\n0.600056 0.851372 0.600056 Cl\n0.851372 0.600055 0.600055 Cl\n0.248152 -0.000000 0.751848 Cl\n0.399945 0.148628 0.399945 Cl\n0.248153 0.751848 0.000000 Cl\n0.000000 0.248152 0.751848 Cl\n0.751848 -0.000000 0.248152 Cl\n0.751848 0.248152 0.000000 Cl\n0.000001 0.751848 0.248152 Cl\n0.399945 0.399945 0.148628 Cl\n0.148628 0.399945 0.399945 Cl\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt",
"density": 6.132904375955742,
"density_atomic": 0.04165556611044261,
"volume": 432.1151212367653,
"volume_molar": 14.456989358957031,
"formula_full": "Pt6 Cl12",
"formula_reduced": "PtCl2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-90335",
"created_at": "2022-09-04T14:35:54.768729Z",
"updated_at": "2022-09-04T14:35:54.768751Z",
"structure_string": "K2 Cu1 Cl4 O2\n1.0\n-3.746532 -3.746532 3.847972\n-3.746532 3.746532 -3.847972\n3.746532 -3.746532 -3.847972\nK Cu Cl O\n2 1 4 2\ndirect\n0.500000 0.750000 0.250000 K\n0.500000 0.250000 0.750000 K\n0.000000 0.000000 0.000000 Cu\n0.000000 0.215298 0.784702 Cl\n0.000000 0.784702 0.215298 Cl\n0.569404 0.784702 0.784702 Cl\n0.430595 0.215298 0.215298 Cl\n0.000000 0.419873 0.419873 O\n0.000000 0.580126 0.580126 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-K-O",
"density": 2.4253318728424835,
"density_atomic": 0.04165735796133821,
"volume": 216.0482671117264,
"volume_molar": 14.4563675055655,
"formula_full": "K2 Cu1 Cl4 O2",
"formula_reduced": "K2Cu(Cl2O)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.2670588577777777,
"spacegroup": 139
},
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
"nsites": 10,
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"elements": [
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"Mn",
"Se"
],
"chemical_system": "Mn-Se-Th",
"density": 7.247469615988211,
"density_atomic": 0.041657701208223034,
"volume": 240.05165215468122,
"volume_molar": 14.456248389460475,
"formula_full": "Th2 Mn2 Se6",
"formula_reduced": "ThMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2630705882758617,
"spacegroup": 63
},
{
"id": "jvasp-71540",
"created_at": "2022-09-04T14:35:47.825339Z",
"updated_at": "2022-09-04T14:35:47.825353Z",
"structure_string": "Na2 Be1 In1\n1.0\n3.332068 -0.000000 -0.000000\n0.000000 3.332068 -0.000000\n0.000000 0.000000 8.648360\nNa Be In\n2 1 1\ndirect\n0.000000 0.000000 0.962949 Na\n0.500000 0.500000 0.307145 Na\n0.000000 0.000000 0.537148 Be\n0.500000 0.500000 0.692759 In\n",
"nsites": 4,
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"elements": [
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"Be",
"In"
],
"chemical_system": "Be-In-Na",
"density": 2.936636373723033,
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"volume": 96.01994901426075,
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"formula_full": "Na2 Be1 In1",
"formula_reduced": "Na2BeIn",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-28507",
"created_at": "2022-09-04T14:36:22.284557Z",
"updated_at": "2022-09-04T14:36:22.284586Z",
"structure_string": "Te4 Mo3 S2\n1.0\n3.433622 0.000000 0.000000\n-1.716811 2.973684 0.000000\n0.000000 0.000000 21.158747\nTe Mo S\n4 3 2\ndirect\n0.666593 0.333183 0.945949 Te\n0.666599 0.333197 0.571677 Te\n0.666599 0.333197 0.122288 Te\n0.666593 0.333183 0.748015 Te\n0.333271 0.666543 0.034063 Mo\n0.333271 0.666543 0.659902 Mo\n0.666778 0.333557 0.346982 Mo\n0.333446 0.666895 0.417544 S\n0.333446 0.666895 0.276421 S\n",
"nsites": 9,
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"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.6281971933072965,
"density_atomic": 0.041658656980616694,
"volume": 216.041530195935,
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"formula_full": "Te4 Mo3 S2",
"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 187
},
{
"id": "jvasp-113552",
"created_at": "2022-09-04T14:38:48.312991Z",
"updated_at": "2022-09-04T14:38:48.313012Z",
"structure_string": "Li1 Ca1 N1\n1.0\n5.301279 2.757968 0.000000\n1.680081 4.217336 0.000000\n0.000000 0.000000 4.062882\nLi Ca N\n1 1 1\ndirect\n0.424018 -0.085936 0.000000 Li\n-0.076008 -0.085921 0.000000 Ca\n-0.075982 0.414068 0.000000 N\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Ca-Li-N",
"density": 1.4072592824504326,
"density_atomic": 0.04166136638004209,
"volume": 72.00916006050997,
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"formula_full": "Li1 Ca1 N1",
"formula_reduced": "LiCaN",
"formula_anonymous": "ABC",
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"spacegroup": 47
},
{
"id": "jvasp-12974",
"created_at": "2022-09-04T14:37:18.282040Z",
"updated_at": "2022-09-04T14:37:18.282057Z",
"structure_string": "Pr4 N2 Cl6\n1.0\n-6.180324 0.000405 0.000221\n-0.000852 -6.834445 -0.001088\n3.088295 3.416065 6.819523\nPr N Cl\n4 2 6\ndirect\n0.906020 0.084044 0.811859 Pr\n0.093979 0.915955 0.188140 Pr\n0.593957 0.272197 0.188138 Pr\n0.406043 0.727802 0.811861 Pr\n0.249994 0.999974 -0.000006 N\n0.750005 0.000026 0.000005 N\n0.249987 0.500010 -0.000022 Cl\n0.750012 0.499990 0.000022 Cl\n0.199446 0.386659 0.398750 Cl\n0.800554 0.613340 0.601249 Cl\n0.300570 0.987895 0.601248 Cl\n0.699429 0.012104 0.398751 Cl\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.6372418644505276,
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"volume": 288.03210264444016,
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"formula_full": "Pr4 N2 Cl6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 72
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{
"id": "jvasp-42105",
"created_at": "2022-09-04T14:37:39.846131Z",
"updated_at": "2022-09-04T14:37:39.846146Z",
"structure_string": "Ca1 Pm1 Au2\n1.0\n-0.000264 3.634207 3.634207\n3.634207 -0.000264 3.634207\n3.634207 3.634207 -0.000264\nCa Pm Au\n1 1 2\ndirect\n0.250004 0.250004 0.250004 Ca\n0.750000 0.750000 0.750000 Pm\n0.500001 0.500001 0.500001 Au\n0.999999 0.999999 0.999999 Au\n",
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}
]
}