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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=583",
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"results": [
{
"id": "jvasp-96782",
"created_at": "2022-09-04T14:35:58.348785Z",
"updated_at": "2022-09-04T14:35:58.348803Z",
"structure_string": "Al4 Ga4 Cl16\n1.0\n7.148255 0.187942 0.000000\n-0.269104 9.413469 0.000000\n0.000000 0.000000 9.492050\nAl Ga Cl\n4 4 16\ndirect\n0.250083 0.682970 0.499777 Al\n0.249918 0.817030 0.999777 Al\n0.749918 0.317030 0.500223 Al\n0.750083 0.182970 0.000223 Al\n0.823792 0.750182 0.749878 Ga\n0.676210 0.749818 0.249878 Ga\n0.176209 0.249818 0.250122 Ga\n0.323791 0.250182 0.750122 Ga\n0.669003 0.053301 0.822175 Cl\n0.830998 0.446699 0.322175 Cl\n0.509029 0.184419 0.456331 Cl\n-0.009029 0.315581 -0.043669 Cl\n0.490972 0.815581 0.543669 Cl\n0.009029 0.684419 0.043669 Cl\n0.830691 0.053485 0.178390 Cl\n0.010020 0.815582 0.455900 Cl\n0.169310 0.946515 0.821610 Cl\n0.330691 0.553486 0.321610 Cl\n0.169003 0.553301 0.677825 Cl\n0.489981 0.684418 0.955900 Cl\n0.989981 0.184418 0.544100 Cl\n0.510020 0.315582 0.044100 Cl\n0.669310 0.446514 0.678390 Cl\n0.330998 0.946699 0.177825 Cl\n",
"nsites": 24,
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],
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"density": 2.478514919519226,
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"volume": 639.1989449106635,
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"formula_full": "Al4 Ga4 Cl16",
"formula_reduced": "AlGaCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 52
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
"formula_reduced": "AlBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07416877875,
"spacegroup": 14
},
{
"id": "jvasp-41963",
"created_at": "2022-09-04T14:37:30.519855Z",
"updated_at": "2022-09-04T14:37:30.519873Z",
"structure_string": "Ac2 Ga1 Cu1\n1.0\n0.000000 3.865084 3.865084\n3.865084 -0.000000 3.865084\n3.865084 3.865084 0.000000\nAc Ga Cu\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ac\n0.000000 0.000000 0.000000 Ac\n0.749999 0.749999 0.749999 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Cu"
],
"chemical_system": "Ac-Cu-Ga",
"density": 8.444605535070783,
"density_atomic": 0.03463803007646966,
"volume": 115.48000827902983,
"volume_molar": 17.385921620557077,
"formula_full": "Ac2 Ga1 Cu1",
"formula_reduced": "Ac2GaCu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.07420569375,
"spacegroup": 225
},
{
"id": "jvasp-18271",
"created_at": "2022-09-04T14:38:12.233630Z",
"updated_at": "2022-09-04T14:38:12.233650Z",
"structure_string": "Tb1 In1 Cu2\n1.0\n4.070799 -0.000000 2.350277\n1.356933 3.837986 2.350277\n0.000000 0.000000 4.700553\nTb In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500001 0.500000 In\n0.749999 0.750001 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
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"elements": [
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"In",
"Cu"
],
"chemical_system": "Cu-In-Tb",
"density": 9.063232342779688,
"density_atomic": 0.054466314837416964,
"volume": 73.43988687209847,
"volume_molar": 11.05663340355633,
"formula_full": "Tb1 In1 Cu2",
"formula_reduced": "TbInCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.07428354625,
"spacegroup": 225
},
{
"id": "jvasp-100855",
"created_at": "2022-09-04T14:36:43.457507Z",
"updated_at": "2022-09-04T14:36:43.457535Z",
"structure_string": "Pm1 S1\n1.0\n3.488718 -0.000000 2.014212\n1.162906 3.289195 2.014212\n-0.000000 -0.000000 4.028425\nPm S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.499999 0.499999 S\n",
"nsites": 2,
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"elements": [
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"S"
],
"chemical_system": "Pm-S",
"density": 6.360496988741902,
"density_atomic": 0.04326525082088143,
"volume": 46.22647418086214,
"volume_molar": 13.919116717782876,
"formula_full": "Pm1 S1",
"formula_reduced": "PmS",
"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-8555",
"created_at": "2022-09-04T14:36:50.820270Z",
"updated_at": "2022-09-04T14:36:50.820298Z",
"structure_string": "Na1 Cl1\n1.0\n3.458077 -0.000000 0.000000\n-0.000000 3.458077 -0.000000\n0.000000 -0.000000 3.458077\nNa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cl-Na",
"density": 2.3467990620323067,
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"volume": 41.352710216991895,
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"formula_full": "Na1 Cl1",
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"spacegroup": 221
},
{
"id": "jvasp-57630",
"created_at": "2022-09-04T14:37:18.035291Z",
"updated_at": "2022-09-04T14:37:18.035309Z",
"structure_string": "Rb2 Cr1 F6\n1.0\n5.180506 -0.000000 2.990967\n1.726836 4.884229 2.990967\n-0.000000 -0.000000 5.981933\nRb Cr F\n2 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.218441 0.781560 0.781559 F\n0.218441 0.781560 0.218441 F\n0.781560 0.218441 0.781559 F\n0.781560 0.218441 0.218441 F\n0.781560 0.781560 0.218441 F\n0.218441 0.218441 0.781559 F\n",
"nsites": 9,
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"elements": [
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"Cr",
"F"
],
"chemical_system": "Cr-F-Rb",
"density": 3.6963141748830837,
"density_atomic": 0.05946107629676664,
"volume": 151.35952055562439,
"volume_molar": 10.127870423912038,
"formula_full": "Rb2 Cr1 F6",
"formula_reduced": "Rb2CrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0746866122222219,
"spacegroup": 225
},
{
"id": "jvasp-15762",
"created_at": "2022-09-04T14:37:15.706438Z",
"updated_at": "2022-09-04T14:37:15.706456Z",
"structure_string": "Sn1\n1.0\n3.120852 -0.000000 -1.103388\n-1.560426 2.702737 -1.103388\n-0.000000 -0.000000 3.310164\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
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"elements": [
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"density_atomic": 0.035815706966327285,
"volume": 27.920710903184634,
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"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy_above_hull": 0.0747217,
"spacegroup": 229
},
{
"id": "jvasp-25322",
"created_at": "2022-09-04T14:37:40.084359Z",
"updated_at": "2022-09-04T14:37:40.084380Z",
"structure_string": "Sn1\n1.0\n3.120850 -0.000000 -1.103388\n-1.560426 2.702736 -1.103388\n-0.000000 -0.000000 3.310162\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
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"elements": [
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"density": 7.060096415235904,
"density_atomic": 0.03581576481039083,
"volume": 27.920665809986588,
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"formula_full": "Sn1",
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"spacegroup": 229
},
{
"id": "jvasp-74304",
"created_at": "2022-09-04T14:36:07.365099Z",
"updated_at": "2022-09-04T14:36:07.365130Z",
"structure_string": "Sr1 Be1 Br2\n1.0\n-2.691719 2.691719 3.804316\n2.691719 -2.691719 3.804316\n2.691719 2.691719 -3.804316\nSr Be Br\n1 1 2\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Br\n0.500001 0.500001 0.000000 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.8622391217454384,
"density_atomic": 0.036279724131482026,
"volume": 110.25442160209172,
"volume_molar": 16.599191157504524,
"formula_full": "Sr1 Be1 Br2",
"formula_reduced": "SrBeBr2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-118796",
"created_at": "2022-09-04T14:38:29.108522Z",
"updated_at": "2022-09-04T14:38:29.108542Z",
"structure_string": "Na2 Se2\n1.0\n4.622529 -0.505935 -0.482710\n1.937151 -4.260159 -0.006655\n-0.433480 -0.405433 -5.503626\nNa Se\n2 2\ndirect\n0.887826 0.180739 0.059985 Na\n0.571946 0.864849 0.564868 Na\n0.210020 0.501301 0.801822 Se\n0.260581 0.553660 0.344454 Se\n",
"nsites": 4,
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"volume": 104.24394904733674,
"volume_molar": 15.694293363533243,
"formula_full": "Na2 Se2",
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"spacegroup": 8
},
{
"id": "jvasp-39871",
"created_at": "2022-09-04T14:37:38.566721Z",
"updated_at": "2022-09-04T14:37:38.566736Z",
"structure_string": "Ac1 Tl1 Au2\n1.0\n-0.000000 3.743395 3.743395\n3.743395 0.000000 3.743395\n3.743395 3.743395 0.000000\nAc Tl Au\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ac\n0.749999 0.749999 0.749999 Tl\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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],
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"formula_full": "Ac1 Tl1 Au2",
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