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{
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"results": [
{
"id": "jvasp-120463",
"created_at": "2022-09-04T14:38:53.585182Z",
"updated_at": "2022-09-04T14:38:53.585213Z",
"structure_string": "Tm8 Br16\n1.0\n6.550157 -0.000000 0.000000\n0.000000 7.631884 0.000000\n-0.000000 -0.000000 12.730871\nTm Br\n8 16\ndirect\n0.170758 0.547274 0.904322 Tm\n0.829243 0.452726 0.095678 Tm\n0.329242 0.047274 0.095678 Tm\n0.829243 0.952725 0.404322 Tm\n0.670758 0.952725 0.904322 Tm\n0.170758 0.047274 0.595678 Tm\n0.670758 0.452726 0.595678 Tm\n0.329242 0.547274 0.404322 Tm\n0.021016 0.201697 0.954381 Br\n0.521016 0.798302 0.545619 Br\n0.978984 0.798302 0.045619 Br\n0.478984 0.201697 0.454381 Br\n0.978984 0.298302 0.454381 Br\n0.021016 0.701697 0.545619 Br\n0.206830 0.878029 0.294352 Br\n0.706830 0.621970 0.294352 Br\n0.293170 0.378029 0.705648 Br\n0.793170 0.621970 0.794352 Br\n0.521016 0.298302 0.954381 Br\n0.206830 0.378029 0.205648 Br\n0.706830 0.121971 0.205648 Br\n0.293170 0.878029 0.794352 Br\n0.793170 0.121971 0.705648 Br\n0.478984 0.701697 0.045619 Br\n",
"nsites": 24,
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"elements": [
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"formula_full": "Tm8 Br16",
"formula_reduced": "TmBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.010179361111111,
"spacegroup": 61
},
{
"id": "jvasp-119965",
"created_at": "2022-09-04T14:38:53.693055Z",
"updated_at": "2022-09-04T14:38:53.693091Z",
"structure_string": "Ba2 Se1\n1.0\n4.375748 0.000000 0.000000\n0.000000 4.350010 0.000000\n0.000000 0.000000 8.590403\nBa Se\n2 1\ndirect\n-0.033328 0.000000 0.740880 Ba\n-0.033328 0.000000 0.259120 Ba\n0.466657 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.591058266523012,
"density_atomic": 0.01834700410546806,
"volume": 163.51443444141887,
"volume_molar": 32.823564683267215,
"formula_full": "Ba2 Se1",
"formula_reduced": "Ba2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4236019899999999,
"spacegroup": 47
},
{
"id": "jvasp-121124",
"created_at": "2022-09-04T14:38:53.402117Z",
"updated_at": "2022-09-04T14:38:53.402144Z",
"structure_string": "I2 F1\n1.0\n4.563321 0.000000 -0.000861\n0.000000 3.942445 0.000000\n0.001434 0.000000 6.017580\nI F\n2 1\ndirect\n-0.033362 0.000000 -0.033395 I\n-0.033262 0.000000 0.466608 I\n0.466624 0.000000 -0.033212 F\n",
"nsites": 3,
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"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 4.184432807183181,
"density_atomic": 0.027711031981848103,
"volume": 108.26013271411641,
"volume_molar": 21.731925263356327,
"formula_full": "I2 F1",
"formula_reduced": "I2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0261066666666666,
"spacegroup": 47
},
{
"id": "jvasp-118686",
"created_at": "2022-09-04T14:38:53.435980Z",
"updated_at": "2022-09-04T14:38:53.436006Z",
"structure_string": "Mg2 Cl1\n1.0\n3.334323 0.000000 0.000000\n0.000000 3.349352 0.000000\n0.000000 0.000000 7.164038\nMg Cl\n2 1\ndirect\n-0.033309 0.000000 0.705996 Mg\n-0.033309 0.000000 0.294004 Mg\n0.466618 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Cl"
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"chemical_system": "Cl-Mg",
"density": 1.7447276400422087,
"density_atomic": 0.037496861067869765,
"volume": 80.00669694911167,
"volume_molar": 16.0603863590071,
"formula_full": "Mg2 Cl1",
"formula_reduced": "Mg2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 0.02851,
"spacegroup": 47
},
{
"id": "jvasp-121230",
"created_at": "2022-09-04T14:38:53.426563Z",
"updated_at": "2022-09-04T14:38:53.426590Z",
"structure_string": "Mg2 Zn1\n1.0\n4.964974 0.000000 1.135879\n0.000000 3.099070 0.000000\n1.678890 0.000000 4.761544\nMg Zn\n2 1\ndirect\n0.132040 0.000000 -0.203128 Mg\n-0.198742 0.000000 0.469787 Mg\n0.466701 0.000000 0.133341 Zn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.810973490387379,
"density_atomic": 0.044540150424730834,
"volume": 67.35495887176563,
"volume_molar": 13.520701440326114,
"formula_full": "Mg2 Zn1",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 65
},
{
"id": "jvasp-120311",
"created_at": "2022-09-04T14:38:53.643350Z",
"updated_at": "2022-09-04T14:38:53.643375Z",
"structure_string": "Li2 Sb1\n1.0\n4.654805 0.000000 -1.196728\n0.000000 3.328424 0.000000\n-1.224291 0.000000 4.610293\nLi Sb\n2 1\ndirect\n-0.199622 0.000000 -0.199621 Li\n0.132945 0.000000 0.466266 Li\n0.466677 0.000000 0.133355 Sb\n",
"nsites": 3,
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"elements": [
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"Sb"
],
"chemical_system": "Li-Sb",
"density": 3.3844337554902206,
"density_atomic": 0.04507793266576936,
"volume": 66.5514104704739,
"volume_molar": 13.359398720991054,
"formula_full": "Li2 Sb1",
"formula_reduced": "Li2Sb",
"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-118689",
"created_at": "2022-09-04T14:38:53.450662Z",
"updated_at": "2022-09-04T14:38:53.450688Z",
"structure_string": "Mg1 Cl2\n1.0\n3.516042 0.000000 -0.424753\n0.000000 3.872213 0.000000\n-0.664852 0.000000 5.783081\nMg Cl\n1 2\ndirect\n0.466680 0.000000 0.133340 Mg\n-0.159685 0.000000 -0.142600 Cl\n0.093006 0.000000 0.409259 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
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"chemical_system": "Cl-Mg",
"density": 2.036280162847681,
"density_atomic": 0.03863870489240384,
"volume": 77.64235391310395,
"volume_molar": 15.585772806748293,
"formula_full": "Mg1 Cl2",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1772466666666666,
"spacegroup": 10
},
{
"id": "jvasp-123685",
"created_at": "2022-09-04T14:38:55.079691Z",
"updated_at": "2022-09-04T14:38:55.079726Z",
"structure_string": "Nd1 Se2\n1.0\n2.235777 -3.785582 -0.603521\n2.160524 3.742135 -0.000000\n-0.727405 0.419967 5.872878\nNd Se\n1 2\ndirect\n-0.000000 0.333310 0.166667 Nd\n0.767861 0.717275 0.434174 Se\n0.232138 -0.050586 0.899160 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nd",
"Se"
],
"chemical_system": "Nd-Se",
"density": 5.282775906778543,
"density_atomic": 0.03158599042085153,
"volume": 94.9788168750772,
"volume_molar": 19.065860147999274,
"formula_full": "Nd1 Se2",
"formula_reduced": "NdSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-121958",
"created_at": "2022-09-04T14:38:53.476978Z",
"updated_at": "2022-09-04T14:38:53.477014Z",
"structure_string": "Tb8 Al4\n1.0\n5.088296 0.000000 0.000000\n0.000000 6.531842 0.000000\n-0.000000 -0.000000 9.486450\nTb Al\n8 4\ndirect\n0.250000 0.811574 0.926127 Tb\n0.250000 0.311574 0.573873 Tb\n0.750001 0.188426 0.073873 Tb\n0.750001 0.688426 0.426127 Tb\n0.250000 0.973117 0.291076 Tb\n0.250000 0.473117 0.208924 Tb\n0.750001 0.026883 0.708924 Tb\n0.750001 0.526882 0.791076 Tb\n0.250000 0.291279 0.897512 Al\n0.250000 0.791278 0.602488 Al\n0.750001 0.708721 0.102488 Al\n0.750001 0.208721 0.397512 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 7.264490996999863,
"density_atomic": 0.03806006148939365,
"volume": 315.2911353898913,
"volume_molar": 15.822729980817854,
"formula_full": "Tb8 Al4",
"formula_reduced": "Tb2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 1.240809866666667,
"spacegroup": 62
},
{
"id": "jvasp-120273",
"created_at": "2022-09-04T14:38:53.484361Z",
"updated_at": "2022-09-04T14:38:53.484389Z",
"structure_string": "K2 Se1\n1.0\n10.811675 -0.000000 0.000000\n-0.000000 10.811675 0.000000\n-0.000000 -0.000000 12.848540\nK Se\n2 1\ndirect\n0.000000 0.000000 0.219475 K\n0.000000 0.000000 0.780525 K\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
"K",
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],
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"density": 0.17375686670281298,
"density_atomic": 0.001997475721024455,
"volume": 1501.8956017454748,
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"formula_full": "K2 Se1",
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"formula_anonymous": "AB2",
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"spacegroup": 123
},
{
"id": "jvasp-117639",
"created_at": "2022-09-04T14:38:53.527313Z",
"updated_at": "2022-09-04T14:38:53.527348Z",
"structure_string": "Be1 Br2\n1.0\n7.418932 0.000000 0.952778\n0.000000 4.061980 0.000000\n1.273390 0.000000 3.315605\nBe Br\n1 2\ndirect\n0.111274 0.000000 -0.137438 Be\n-0.188857 0.000000 0.162589 Br\n0.304678 0.000000 0.169275 Br\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.9511989743517706,
"density_atomic": 0.03158248397183188,
"volume": 94.98936190945815,
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"formula_full": "Be1 Br2",
"formula_reduced": "BeBr2",
"formula_anonymous": "AB2",
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"spacegroup": 25
},
{
"id": "jvasp-120945",
"created_at": "2022-09-04T14:38:53.530344Z",
"updated_at": "2022-09-04T14:38:53.530368Z",
"structure_string": "Ca2 Br1\n1.0\n3.688687 0.000000 0.000000\n0.000000 3.756475 0.000000\n0.000000 0.000000 8.335285\nCa Br\n2 1\ndirect\n-0.033349 0.000000 0.714825 Ca\n-0.033349 0.000000 0.285176 Ca\n0.466698 0.000000 0.000000 Br\n",
"nsites": 3,
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"chemical_system": "Br-Ca",
"density": 2.3012253429640146,
"density_atomic": 0.02597457754704056,
"volume": 115.4975473447809,
"volume_molar": 23.184749584834496,
"formula_full": "Ca2 Br1",
"formula_reduced": "Ca2Br",
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"spacegroup": 47
}
]
}