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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=667",
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"results": [
{
"id": "jvasp-111281",
"created_at": "2022-09-04T14:38:51.740821Z",
"updated_at": "2022-09-04T14:38:51.740846Z",
"structure_string": "Mg2 Pb4\n1.0\n7.133738 0.133482 1.720461\n6.210334 3.512803 1.720461\n0.196320 0.053645 7.097246\nMg Pb\n2 4\ndirect\n0.338194 0.338193 0.066917 Mg\n0.661809 0.661804 0.933084 Mg\n0.011027 0.011025 0.750172 Pb\n0.321868 0.321865 0.623266 Pb\n0.678135 0.678132 0.376734 Pb\n0.988976 0.988972 0.249829 Pb\n",
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"elements": [
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"Pb"
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{
"id": "jvasp-69087",
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"updated_at": "2022-09-04T14:35:58.370935Z",
"structure_string": "Ba1 Ir1 Cl2\n1.0\n4.321404 0.000000 0.000000\n0.000000 4.337558 0.000000\n0.000000 0.000000 6.072656\nBa Ir Cl\n1 1 2\ndirect\n0.500000 0.500000 0.775134 Ba\n0.000000 0.000000 0.531496 Ir\n0.000000 0.000000 0.909041 Cl\n0.500000 0.500000 0.284331 Cl\n",
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"density": 5.841825103812068,
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"volume": 113.82793175133747,
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"formula_full": "Ba1 Ir1 Cl2",
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"spacegroup": 99
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{
"id": "jvasp-86657",
"created_at": "2022-09-04T14:35:42.261573Z",
"updated_at": "2022-09-04T14:35:42.261602Z",
"structure_string": "Eu2 Sn2\n1.0\n4.340119 0.000000 -0.000000\n-0.000000 4.194883 -1.754096\n0.000000 0.127644 6.198294\nEu Sn\n2 2\ndirect\n0.750000 0.134370 0.268741 Eu\n0.250000 0.865628 0.731258 Eu\n0.250000 0.593332 0.186666 Sn\n0.750000 0.406666 0.813332 Sn\n",
"nsites": 4,
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"elements": [
"Eu",
"Sn"
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"density": 7.897837656633674,
"density_atomic": 0.035143301598463766,
"volume": 113.819698721046,
"volume_molar": 17.135956173973273,
"formula_full": "Eu2 Sn2",
"formula_reduced": "EuSn",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-86058",
"created_at": "2022-09-04T14:36:11.723901Z",
"updated_at": "2022-09-04T14:36:11.723926Z",
"structure_string": "Eu2 Sn2\n1.0\n4.340119 0.000000 -0.000000\n-0.000000 4.194883 -1.754096\n0.000000 0.127644 6.198294\nEu Sn\n2 2\ndirect\n0.750000 0.134370 0.268741 Eu\n0.250000 0.865628 0.731258 Eu\n0.250000 0.593332 0.186666 Sn\n0.750000 0.406666 0.813332 Sn\n",
"nsites": 4,
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"elements": [
"Eu",
"Sn"
],
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"density": 7.897837656633674,
"density_atomic": 0.035143301598463766,
"volume": 113.819698721046,
"volume_molar": 17.135956173973273,
"formula_full": "Eu2 Sn2",
"formula_reduced": "EuSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.2472458499999998,
"spacegroup": 63
},
{
"id": "jvasp-35238",
"created_at": "2022-09-04T14:38:03.464376Z",
"updated_at": "2022-09-04T14:38:03.464398Z",
"structure_string": "In3 Sb1\n1.0\n4.846201 -0.000000 -0.000000\n0.000000 4.846201 0.000000\n0.000000 -0.000000 4.846201\nIn Sb\n3 1\ndirect\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 6.801898385949485,
"density_atomic": 0.03514436677539516,
"volume": 113.81624900410584,
"volume_molar": 17.13543680694838,
"formula_full": "In3 Sb1",
"formula_reduced": "In3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0388140025,
"spacegroup": 221
},
{
"id": "jvasp-118862",
"created_at": "2022-09-04T14:38:29.740247Z",
"updated_at": "2022-09-04T14:38:29.740273Z",
"structure_string": "As1 S1 I2\n1.0\n4.323125 0.000000 0.000000\n0.000000 4.323125 0.000000\n0.000000 0.000000 6.089878\nAs S I\n1 1 2\ndirect\n0.499999 0.499999 0.502516 As\n0.000000 0.000000 0.002491 S\n0.000000 0.000000 0.502493 I\n0.499999 0.499999 0.002500 I\n",
"nsites": 4,
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"elements": [
"As",
"S",
"I"
],
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"density": 5.2638812023987835,
"density_atomic": 0.03514437407482178,
"volume": 113.81622536466485,
"volume_molar": 17.13543324794735,
"formula_full": "As1 S1 I2",
"formula_reduced": "AsSI2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-97982",
"created_at": "2022-09-04T14:36:19.516454Z",
"updated_at": "2022-09-04T14:36:19.516481Z",
"structure_string": "Ba8 Cd8 Sn8 S32\n1.0\n12.296289 0.017513 -3.431725\n-7.041403 10.080559 -3.431725\n-0.006221 -0.011954 12.849590\nBa Cd Sn S\n8 8 8 32\ndirect\n0.998622 0.998622 0.000001 Ba\n0.245033 0.242817 0.495044 Ba\n0.747773 0.749989 0.504957 Ba\n0.992817 0.495033 0.995044 Ba\n0.748622 0.248622 0.500000 Ba\n0.244700 0.744700 0.500000 Ba\n0.494700 0.494700 0.000000 Ba\n0.499989 0.997773 0.004957 Ba\n0.329707 0.978731 0.249516 Cd\n0.830192 0.979215 0.250485 Cd\n0.728731 0.579707 0.749516 Cd\n0.729215 0.080192 0.750485 Cd\n0.261189 0.485809 0.248329 Cd\n0.237481 0.012860 0.751672 Cd\n0.762860 0.487481 0.251672 Cd\n0.235810 0.511189 0.748329 Cd\n0.487056 0.763246 0.250972 Sn\n0.512275 0.236085 0.749029 Sn\n0.016634 0.652398 0.750296 Sn\n0.402398 0.266633 0.250295 Sn\n0.016338 0.152103 0.749705 Sn\n0.513247 0.737056 0.750972 Sn\n0.902103 0.266338 0.249705 Sn\n0.986085 0.762275 0.249030 Sn\n0.294819 0.052565 0.077493 S\n0.967326 0.225072 0.422507 S\n0.802565 0.544819 0.577494 S\n0.975072 0.217326 0.922507 S\n0.465233 0.222713 0.421889 S\n0.302015 0.041786 0.579078 S\n0.800824 0.043344 0.578111 S\n0.972714 0.715233 0.921890 S\n0.793344 0.050824 0.078111 S\n0.476559 0.215065 0.921638 S\n0.293427 0.554922 0.078363 S\n0.965065 0.726559 0.421638 S\n0.304922 0.543427 0.578363 S\n0.180126 0.765979 0.248500 S\n0.517479 0.931626 0.751501 S\n0.515979 0.430125 0.748500 S\n0.681626 0.767479 0.251501 S\n0.472938 0.712709 0.920923 S\n0.212848 0.273071 0.248572 S\n0.023072 0.462848 0.748573 S\n0.714275 0.274499 0.251428 S\n0.047091 0.468394 0.246998 S\n0.221397 0.800093 0.753003 S\n0.218394 0.297091 0.746998 S\n0.550093 0.471396 0.253003 S\n0.028978 0.965184 0.246840 S\n0.718344 0.782138 0.753161 S\n0.715184 0.278977 0.746840 S\n0.532138 0.968344 0.253161 S\n0.462709 0.722937 0.420923 S\n0.024500 0.964276 0.751428 S\n0.791786 0.552015 0.079078 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Sn",
"S"
],
"chemical_system": "Ba-Cd-S-Sn",
"density": 4.141285213826088,
"density_atomic": 0.035146568498011205,
"volume": 1593.3276673416583,
"volume_molar": 17.134363374167716,
"formula_full": "Ba8 Cd8 Sn8 S32",
"formula_reduced": "BaCdSnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7968096314285713,
"spacegroup": 43
},
{
"id": "jvasp-86799",
"created_at": "2022-09-04T14:35:41.489923Z",
"updated_at": "2022-09-04T14:35:41.489950Z",
"structure_string": "Mg3 Bi2\n1.0\n4.691333 -0.000000 0.000000\n-2.345666 4.062814 -0.000000\n-0.000000 0.000000 7.463808\nMg Bi\n3 2\ndirect\n0.333332 0.666666 0.627203 Mg\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.372797 Mg\n0.333332 0.666666 0.221261 Bi\n0.666666 0.333333 0.778739 Bi\n",
"nsites": 5,
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"elements": [
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"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.729768283138332,
"density_atomic": 0.03514684481814639,
"volume": 142.26028042831572,
"volume_molar": 17.134228665927807,
"formula_full": "Mg3 Bi2",
"formula_reduced": "Mg3Bi2",
"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-86197",
"created_at": "2022-09-04T14:36:03.968338Z",
"updated_at": "2022-09-04T14:36:03.968366Z",
"structure_string": "Mg3 Bi2\n1.0\n4.691176 -0.000000 -0.000000\n-2.345587 4.062677 -0.000000\n0.000000 -0.000000 7.463803\nMg Bi\n3 2\ndirect\n0.333333 0.666667 0.627207 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.372792 Mg\n0.333333 0.666667 0.221262 Bi\n0.666668 0.333333 0.778738 Bi\n",
"nsites": 5,
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"density": 5.730157103890745,
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"formula_full": "Mg3 Bi2",
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"spacegroup": 164
},
{
"id": "jvasp-21995",
"created_at": "2022-09-04T14:37:37.890112Z",
"updated_at": "2022-09-04T14:37:37.890135Z",
"structure_string": "Ba4 Zn8 Sb8\n1.0\n4.554816 0.000000 0.000000\n0.000000 10.633402 0.000000\n0.000000 0.000000 11.747515\nBa Zn Sb\n4 8 8\ndirect\n0.250000 0.746972 0.319838 Ba\n0.750001 0.253028 0.680162 Ba\n0.250000 0.246972 0.180162 Ba\n0.750001 0.753028 0.819838 Ba\n0.250000 0.556791 0.620672 Zn\n0.750001 0.443209 0.379329 Zn\n0.750001 0.943208 0.120671 Zn\n0.250000 0.056791 0.879329 Zn\n0.250000 0.096619 0.452361 Zn\n0.250000 0.596619 0.047639 Zn\n0.750001 0.403381 0.952361 Zn\n0.750001 0.903381 0.547639 Zn\n0.750001 0.026009 0.336990 Sb\n0.750001 0.650445 0.533904 Sb\n0.250000 0.349555 0.466097 Sb\n0.250000 0.849555 0.033903 Sb\n0.750001 0.150445 0.966097 Sb\n0.750001 0.526009 0.163011 Sb\n0.250000 0.473990 0.836990 Sb\n0.250000 0.973990 0.663011 Sb\n",
"nsites": 20,
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"elements": [
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"Zn",
"Sb"
],
"chemical_system": "Ba-Sb-Zn",
"density": 5.973181627278924,
"density_atomic": 0.03515126162327936,
"volume": 568.9696209013093,
"volume_molar": 17.132075726157613,
"formula_full": "Ba4 Zn8 Sb8",
"formula_reduced": "Ba(ZnSb)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 62
},
{
"id": "jvasp-105232",
"created_at": "2022-09-04T14:36:50.462304Z",
"updated_at": "2022-09-04T14:36:50.462336Z",
"structure_string": "Pm2 Cd1 Pb1\n1.0\n4.710568 -0.000000 2.719648\n1.570189 4.441166 2.719648\n-0.000000 -0.000000 5.439295\nPm Cd Pb\n2 1 1\ndirect\n0.750000 0.750001 0.750001 Pm\n0.250000 0.250000 0.250000 Pm\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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],
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"volume": 113.79230567386493,
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"formula_full": "Pm2 Cd1 Pb1",
"formula_reduced": "Pm2CdPb",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-28714",
"created_at": "2022-09-04T14:36:43.442269Z",
"updated_at": "2022-09-04T14:36:43.442284Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.315186 0.000000 -0.000000\n-1.657594 2.871037 -0.000008\n-0.000000 -0.000279 35.865944\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.666687 0.333372 0.416898 Te\n0.666698 0.333394 0.524416 Te\n0.333297 0.666591 0.098171 Mo\n0.666680 0.333357 0.275483 Mo\n0.666670 0.333338 0.658618 Mo\n0.333361 0.666719 0.470647 W\n0.333355 0.666709 0.322257 Se\n0.333337 0.666673 0.228696 Se\n0.333330 0.666660 0.701159 S\n0.666632 0.333259 0.055605 S\n0.666628 0.333254 0.140770 S\n0.333341 0.666681 0.616026 S\n",
"nsites": 12,
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"elements": [
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],
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"volume": 341.3728321236429,
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"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
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"spacegroup": 156
}
]
}