HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=460",
"results": [
{
"id": "jvasp-15396",
"created_at": "2022-09-04T14:36:11.484170Z",
"updated_at": "2022-09-04T14:36:11.484195Z",
"structure_string": "Sr1 Fe2 As2\n1.0\n3.785058 -0.000000 -1.140914\n-0.343900 3.769403 -1.140914\n-0.114876 -0.125834 6.467940\nSr Fe As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500001 Fe\n0.250000 0.750000 0.500001 Fe\n0.646205 0.646205 0.292411 As\n0.353795 0.353795 0.707590 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"As"
],
"chemical_system": "As-Fe-Sr",
"density": 6.357687263881433,
"density_atomic": 0.054828206678879624,
"volume": 91.19393653132285,
"volume_molar": 10.983654445002648,
"formula_full": "Sr1 Fe2 As2",
"formula_reduced": "Sr(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.213168162,
"spacegroup": 139
},
{
"id": "jvasp-97036",
"created_at": "2022-09-04T14:36:52.831164Z",
"updated_at": "2022-09-04T14:36:52.831192Z",
"structure_string": "Sr2 Fe4 As4\n1.0\n3.953274 -0.000000 0.000000\n0.000000 3.953274 0.000000\n0.000000 -0.000000 11.674296\nSr Fe As\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.500000 Sr\n0.499999 0.000000 0.250000 Fe\n0.000000 0.499999 0.750000 Fe\n0.000000 0.499999 0.250000 Fe\n0.499999 0.000000 0.750000 Fe\n0.000000 0.000000 0.646231 As\n0.499999 0.499999 0.146231 As\n0.000000 0.000000 0.353769 As\n0.499999 0.499999 0.853769 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"As"
],
"chemical_system": "As-Fe-Sr",
"density": 6.355512641580401,
"density_atomic": 0.05480945290317147,
"volume": 182.45027947398768,
"volume_molar": 10.987412646936924,
"formula_full": "Sr2 Fe4 As4",
"formula_reduced": "Sr(FeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.213170162,
"spacegroup": 139
},
{
"id": "jvasp-75642",
"created_at": "2022-09-04T14:35:42.927343Z",
"updated_at": "2022-09-04T14:35:42.927368Z",
"structure_string": "Ta2 Fe1 As1\n1.0\n0.000000 3.158408 3.158408\n3.158408 -0.000000 3.158408\n3.158408 3.158408 -0.000000\nTa Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"As"
],
"chemical_system": "As-Fe-Ta",
"density": 12.982663229805468,
"density_atomic": 0.06347830220809503,
"volume": 63.01365759416771,
"volume_molar": 9.486927895863023,
"formula_full": "Ta2 Fe1 As1",
"formula_reduced": "Ta2FeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.8692114125,
"spacegroup": 216
},
{
"id": "jvasp-62988",
"created_at": "2022-09-04T14:35:47.316060Z",
"updated_at": "2022-09-04T14:35:47.316083Z",
"structure_string": "Fe4 Te4 As4\n1.0\n0.000000 6.264046 -0.019108\n6.144869 0.000000 0.000000\n0.000000 -2.617271 -5.722200\nFe Te As\n4 4 4\ndirect\n0.285063 0.990844 0.291713 Fe\n0.714938 0.490844 0.208288 Fe\n0.714938 0.009156 0.708288 Fe\n0.285063 0.509156 0.791713 Fe\n0.152542 0.369994 0.365417 Te\n0.847459 0.869994 0.134583 Te\n0.847459 0.630006 0.634583 Te\n0.152542 0.130006 0.865417 Te\n0.357674 0.650198 0.160645 As\n0.642327 0.150198 0.339355 As\n0.642327 0.349802 0.839355 As\n0.357674 0.849802 0.660645 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"Te",
"As"
],
"chemical_system": "As-Fe-Te",
"density": 7.780532842042251,
"density_atomic": 0.05440579081673893,
"volume": 220.5647564322874,
"volume_molar": 11.06893341608625,
"formula_full": "Fe4 Te4 As4",
"formula_reduced": "FeTeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 1.887175005555556,
"spacegroup": 14
},
{
"id": "jvasp-37044",
"created_at": "2022-09-04T14:35:46.584570Z",
"updated_at": "2022-09-04T14:35:46.584597Z",
"structure_string": "Ti1 Fe2 As1\n1.0\n2.901284 2.901284 0.000000\n2.901284 0.000000 -2.901284\n-0.000000 2.901284 -2.901284\nTi Fe As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"As"
],
"chemical_system": "As-Fe-Ti",
"density": 7.971711725816822,
"density_atomic": 0.08189535442057662,
"volume": 48.842819330848144,
"volume_molar": 7.353458328140413,
"formula_full": "Ti1 Fe2 As1",
"formula_reduced": "TiFe2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.164732770833333,
"spacegroup": 225
},
{
"id": "jvasp-90136",
"created_at": "2022-09-04T14:35:46.466986Z",
"updated_at": "2022-09-04T14:35:46.467002Z",
"structure_string": "Ti3 Fe3 As3\n1.0\n0.000000 0.000000 -3.707128\n-3.090334 -5.352615 0.000000\n-3.090241 5.352561 0.000000\nTi Fe As\n3 3 3\ndirect\n0.500000 0.578995 -0.000001 Ti\n0.500000 0.420957 0.420961 Ti\n0.500000 -0.000005 0.579038 Ti\n0.000000 0.242456 -0.000000 Fe\n0.000000 0.757531 0.757532 Fe\n0.000000 -0.000002 0.242467 Fe\n0.000000 0.333328 0.666664 As\n0.000000 0.666664 0.333335 As\n0.500000 -0.000027 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"As"
],
"chemical_system": "As-Fe-Ti",
"density": 7.256099413905966,
"density_atomic": 0.07338583343927918,
"volume": 122.63947383587009,
"volume_molar": 8.206135268577189,
"formula_full": "Ti3 Fe3 As3",
"formula_reduced": "TiFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.6156585277777777,
"spacegroup": 189
},
{
"id": "jvasp-90729",
"created_at": "2022-09-04T14:36:10.286293Z",
"updated_at": "2022-09-04T14:36:10.286310Z",
"structure_string": "U2 Fe2 As4\n1.0\n3.993301 -0.000000 -0.000000\n0.000000 3.993301 -0.000000\n-0.000000 -0.000000 8.719719\nU Fe As\n2 2 4\ndirect\n0.750000 0.750000 0.743014 U\n0.250000 0.250000 0.256986 U\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.000000 As\n0.750000 0.250000 0.000000 As\n0.750000 0.750000 0.343217 As\n0.250000 0.250000 0.656784 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Fe",
"As"
],
"chemical_system": "As-Fe-U",
"density": 10.597872377981513,
"density_atomic": 0.05753384559705265,
"volume": 139.0485881307024,
"volume_molar": 10.467127127529439,
"formula_full": "U2 Fe2 As4",
"formula_reduced": "UFeAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3724587500000003,
"spacegroup": 129
},
{
"id": "jvasp-63111",
"created_at": "2022-09-04T14:36:12.984320Z",
"updated_at": "2022-09-04T14:36:12.984336Z",
"structure_string": "V3 Fe3 As3\n1.0\n3.027478 -5.243381 0.000000\n3.027478 5.243381 0.000000\n0.000000 0.000000 3.660183\nV Fe As\n3 3 3\ndirect\n0.583465 0.999971 0.500000 V\n0.999971 0.583465 0.500000 V\n0.416537 0.416537 0.500000 V\n0.247877 0.000011 0.000000 Fe\n0.000011 0.247877 0.000000 Fe\n0.752134 0.752134 0.000000 Fe\n0.333326 0.666666 0.000000 As\n0.666666 0.333326 0.000000 As\n0.000018 0.000018 0.500000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Fe",
"As"
],
"chemical_system": "As-Fe-V",
"density": 7.789676683133961,
"density_atomic": 0.07744926529461359,
"volume": 116.20510492597182,
"volume_molar": 7.77559443216413,
"formula_full": "V3 Fe3 As3",
"formula_reduced": "VFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8965504833333338,
"spacegroup": 189
},
{
"id": "jvasp-90125",
"created_at": "2022-09-04T14:35:49.783785Z",
"updated_at": "2022-09-04T14:35:49.783815Z",
"structure_string": "V3 Fe3 As3\n1.0\n0.000000 0.000000 -3.691084\n-3.022034 -5.234316 0.000000\n-3.021863 5.234217 0.000000\nV Fe As\n3 3 3\ndirect\n0.499999 0.581445 -0.000001 V\n0.499999 0.418586 0.418619 V\n0.499999 0.999965 0.581379 V\n0.000000 0.246636 -0.000000 Fe\n0.000000 0.753331 0.753358 Fe\n0.000000 0.999973 0.246640 Fe\n0.000000 0.333303 0.666669 As\n0.000000 0.666635 0.333330 As\n0.499999 0.000021 -0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"V",
"Fe",
"As"
],
"chemical_system": "As-Fe-V",
"density": 7.752072496945818,
"density_atomic": 0.07707538371894054,
"volume": 116.76879913850283,
"volume_molar": 7.813312719869232,
"formula_full": "V3 Fe3 As3",
"formula_reduced": "VFeAs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.894360483333333,
"spacegroup": 189
},
{
"id": "jvasp-75516",
"created_at": "2022-09-04T14:35:49.113507Z",
"updated_at": "2022-09-04T14:35:49.113540Z",
"structure_string": "Zn2 Fe1 As1\n1.0\n-0.000000 3.123299 3.123299\n3.123299 -0.000000 3.123299\n3.123299 3.123299 0.000000\nZn Fe As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"As"
],
"chemical_system": "As-Fe-Zn",
"density": 7.1283758138248405,
"density_atomic": 0.06564313427605108,
"volume": 60.935542522675384,
"volume_molar": 9.174060358962917,
"formula_full": "Zn2 Fe1 As1",
"formula_reduced": "Zn2FeAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7282145124999999,
"spacegroup": 216
},
{
"id": "jvasp-29472",
"created_at": "2022-09-04T14:37:52.573898Z",
"updated_at": "2022-09-04T14:37:52.573928Z",
"structure_string": "Fe2 As8 F36\n1.0\n7.264374 -0.099342 0.000000\n-0.320081 7.292926 0.000000\n0.000000 0.000000 12.349409\nFe As F\n2 8 36\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.525425 0.437007 0.792841 As\n0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.974574 0.062993 0.292841 As\n0.000000 0.500000 0.500000 As\n0.025426 0.937007 0.707159 As\n0.474574 0.562993 0.207159 As\n0.500000 0.000000 0.000000 As\n0.430778 0.217080 0.955443 F\n0.763585 0.434895 0.459541 F\n0.263586 0.934895 0.040459 F\n0.236414 0.565106 0.540459 F\n0.569222 0.782920 0.044557 F\n0.930778 0.717081 0.544557 F\n0.069222 0.282920 0.455443 F\n0.362355 0.758597 0.245721 F\n0.044165 0.592286 0.371687 F\n0.544165 0.092286 0.128313 F\n0.955835 0.407715 0.628313 F\n0.736414 0.065106 0.959541 F\n0.137645 0.741404 0.745721 F\n0.575032 0.547668 0.658256 F\n0.924968 0.952333 0.158256 F\n0.455835 0.907715 0.871687 F\n0.862355 0.258597 0.254279 F\n0.772553 0.447455 0.044043 F\n0.272554 0.947455 0.455957 F\n0.307797 0.352268 0.748449 F\n0.192203 0.147732 0.248449 F\n0.692203 0.647733 0.251551 F\n0.807797 0.852268 0.751551 F\n0.935255 0.730246 0.961867 F\n0.564744 0.769755 0.461867 F\n0.064744 0.269755 0.038133 F\n0.435255 0.230246 0.538133 F\n0.936543 0.422324 0.870339 F\n0.563457 0.077676 0.370339 F\n0.063457 0.577676 0.129661 F\n0.436543 0.922325 0.629661 F\n0.075032 0.047667 0.841744 F\n0.727446 0.052545 0.544043 F\n0.227446 0.552546 0.955957 F\n0.637644 0.241404 0.754279 F\n0.424968 0.452333 0.341744 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Fe",
"As",
"F"
],
"chemical_system": "As-F-Fe",
"density": 3.5427419769934856,
"density_atomic": 0.0703513434170651,
"volume": 653.8610034395135,
"volume_molar": 8.560093478668684,
"formula_full": "Fe2 As8 F36",
"formula_reduced": "FeAs4F18",
"formula_anonymous": "AB4C18",
"energy_above_hull": 0.4639594602173912,
"spacegroup": 14
},
{
"id": "jvasp-90660",
"created_at": "2022-09-04T14:36:08.387994Z",
"updated_at": "2022-09-04T14:36:08.388021Z",
"structure_string": "Sr2 Fe2 As2 F2\n1.0\n-3.986141 0.000000 0.015027\n-0.014958 0.000000 -3.986508\n0.000000 -8.757915 0.000000\nSr Fe As F\n2 2 2 2\ndirect\n0.750000 0.250000 0.166402 Sr\n0.250000 0.750000 0.833598 Sr\n0.750000 0.750000 0.500010 Fe\n0.250000 0.250000 0.499990 Fe\n0.750000 0.250000 0.640457 As\n0.250000 0.750000 0.359543 As\n0.750000 0.750000 0.000024 F\n0.250000 0.250000 0.999975 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"As",
"F"
],
"chemical_system": "As-F-Fe-Sr",
"density": 5.664742935856658,
"density_atomic": 0.057482787675499594,
"volume": 139.1720952219889,
"volume_molar": 10.47642434113676,
"formula_full": "Sr2 Fe2 As2 F2",
"formula_reduced": "SrFeAsF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.773475960625,
"spacegroup": 129
}
]
}