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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=871",
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"results": [
{
"id": "jvasp-93413",
"created_at": "2022-09-04T14:36:31.077169Z",
"updated_at": "2022-09-04T14:36:31.077199Z",
"structure_string": "Sr1 U1 O4\n1.0\n6.640850 0.023306 0.014339\n5.464455 3.773747 0.014339\n5.464455 1.714028 3.362066\nSr U O\n1 1 4\ndirect\n0.499999 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 U\n0.106620 0.106621 0.106621 O\n0.359491 0.359492 0.359492 O\n0.640508 0.640510 0.640510 O\n0.893378 0.893381 0.893381 O\n",
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{
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"created_at": "2022-09-04T14:37:31.429276Z",
"updated_at": "2022-09-04T14:37:31.429307Z",
"structure_string": "Sr1 U2 O6\n1.0\n3.182800 -0.000000 2.247061\n0.001498 5.608369 10.129254\n0.000999 -0.000000 6.752835\nSr U O\n1 2 6\ndirect\n0.000000 0.666667 -0.000001 Sr\n0.000001 0.997787 0.003318 U\n0.000000 0.335546 0.996681 U\n0.266124 0.309093 0.270237 O\n0.220694 0.666667 0.279295 O\n0.733876 0.024240 0.729763 O\n0.266124 0.024240 0.197520 O\n0.733877 0.309093 0.802480 O\n0.779307 0.666667 0.720704 O\n",
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"formula_full": "Sr1 U2 O6",
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{
"id": "jvasp-78444",
"created_at": "2022-09-04T14:37:15.455235Z",
"updated_at": "2022-09-04T14:37:15.455265Z",
"structure_string": "Sr1 U1\n1.0\n-1.639823 -2.840258 0.000000\n1.639823 -2.840258 0.000000\n0.000000 -1.893505 6.555180\nSr U\n1 1\ndirect\n0.854550 0.854550 0.436351 Sr\n0.683451 0.683451 -0.050351 U\n",
"nsites": 2,
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"elements": [
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"density": 8.855831483825348,
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"volume": 61.0617690770607,
"volume_molar": 18.38612842183374,
"formula_full": "Sr1 U1",
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"formula_anonymous": "AB",
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"spacegroup": 160
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{
"id": "jvasp-106587",
"created_at": "2022-09-04T14:36:58.016223Z",
"updated_at": "2022-09-04T14:36:58.016251Z",
"structure_string": "Sr1 Tm1 O3\n1.0\n4.294097 -0.000000 0.000000\n0.000000 4.294097 0.000000\n-0.000000 -0.000000 4.294097\nSr Tm O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tm\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Tm",
"O"
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"chemical_system": "O-Sr-Tm",
"density": 6.3869804428442745,
"density_atomic": 0.06314725152144987,
"volume": 79.18000989008364,
"volume_molar": 9.536663298725518,
"formula_full": "Sr1 Tm1 O3",
"formula_reduced": "SrTmO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1132562119999998,
"spacegroup": 221
},
{
"id": "jvasp-37634",
"created_at": "2022-09-04T14:37:55.017348Z",
"updated_at": "2022-09-04T14:37:55.017363Z",
"structure_string": "Sr1 Tl1 O3\n1.0\n4.259964 0.000000 0.000000\n-0.000000 4.259964 -0.000000\n0.000000 0.000000 4.259964\nSr Tl O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.499999 0.499999 Tl\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"chemical_system": "O-Sr-Tl",
"density": 7.3031823338745445,
"density_atomic": 0.0646773499907157,
"volume": 77.30681607576284,
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"formula_full": "Sr1 Tl1 O3",
"formula_reduced": "SrTlO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-37625",
"created_at": "2022-09-04T14:37:54.327740Z",
"updated_at": "2022-09-04T14:37:54.327760Z",
"structure_string": "Sr1 Tl1 Hg2\n1.0\n0.000000 3.833256 3.833256\n3.833256 0.000000 3.833256\n3.833256 3.833256 0.000000\nSr Tl Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Sr-Tl",
"density": 10.217948764271645,
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"volume": 112.65058932273449,
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"formula_full": "Sr1 Tl1 Hg2",
"formula_reduced": "SrTlHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
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{
"id": "jvasp-107977",
"created_at": "2022-09-04T14:37:51.005741Z",
"updated_at": "2022-09-04T14:37:51.005767Z",
"structure_string": "Sr2 Tl6\n1.0\n7.173601 0.000000 0.000000\n-3.586801 6.212520 0.000000\n-0.000000 -0.000000 5.508358\nSr Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160384 0.320768 0.250000 Tl\n0.679232 0.839616 0.250000 Tl\n0.160384 0.839616 0.250000 Tl\n0.839616 0.679232 0.750000 Tl\n0.320768 0.160384 0.750000 Tl\n0.839616 0.160384 0.750000 Tl\n",
"nsites": 8,
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"elements": [
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"density": 9.480415183179675,
"density_atomic": 0.032588382986243614,
"volume": 245.48625206034322,
"volume_molar": 18.479409556902834,
"formula_full": "Sr2 Tl6",
"formula_reduced": "SrTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-111319",
"created_at": "2022-09-04T14:38:48.915615Z",
"updated_at": "2022-09-04T14:38:48.915655Z",
"structure_string": "Sr1 Tl3\n1.0\n4.968375 -0.000000 0.000000\n0.000000 4.968375 0.000000\n-0.000000 -0.000000 4.968375\nSr Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 9.488147629458881,
"density_atomic": 0.03261496282646141,
"volume": 122.64309547992772,
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"formula_full": "Sr1 Tl3",
"formula_reduced": "SrTl3",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-91588",
"created_at": "2022-09-04T14:35:54.795002Z",
"updated_at": "2022-09-04T14:35:54.795027Z",
"structure_string": "Sr2 Tl4 Pd2\n1.0\n4.411159 0.000000 -0.000000\n-2.205579 5.607978 -0.000000\n-0.000000 -0.000000 8.493161\nSr Tl Pd\n2 4 2\ndirect\n0.434560 0.869119 0.750000 Sr\n0.565440 0.130882 0.250000 Sr\n0.144567 0.289135 0.950244 Tl\n0.855433 0.710865 0.049756 Tl\n0.144567 0.289135 0.549756 Tl\n0.855433 0.710865 0.450244 Tl\n0.280036 0.560073 0.250000 Pd\n0.719964 0.439928 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Pd-Sr-Tl",
"density": 9.5285917813771,
"density_atomic": 0.03807690292167486,
"volume": 210.10112131378438,
"volume_molar": 15.815731579818072,
"formula_full": "Sr2 Tl4 Pd2",
"formula_reduced": "SrTl2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-18794",
"created_at": "2022-09-04T14:36:42.331994Z",
"updated_at": "2022-09-04T14:36:42.332015Z",
"structure_string": "Sr2 Tl4\n1.0\n2.581473 -4.471243 0.000000\n2.581473 4.471243 0.000000\n-0.000000 -0.000000 8.294453\nSr Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.333333 0.666666 0.451116 Tl\n0.666666 0.333333 0.951116 Tl\n0.666666 0.333333 0.548884 Tl\n0.333333 0.666666 0.048884 Tl\n",
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"volume": 191.47567383474748,
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"formula_full": "Sr2 Tl4",
"formula_reduced": "SrTl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.01086,
"spacegroup": 194
},
{
"id": "jvasp-14550",
"created_at": "2022-09-04T14:38:14.339175Z",
"updated_at": "2022-09-04T14:38:14.339209Z",
"structure_string": "Sr1 Tl1\n1.0\n4.055032 0.000000 0.000000\n-0.000000 4.055032 -0.000000\n0.000000 -0.000000 4.055032\nSr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
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"density": 7.27200216838187,
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"volume": 66.67804491785698,
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"formula_full": "Sr1 Tl1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-57484",
"created_at": "2022-09-04T14:37:14.558284Z",
"updated_at": "2022-09-04T14:37:14.558305Z",
"structure_string": "Sr2 Ti2 Si4 O14\n1.0\n5.059328 0.000000 -1.869518\n0.000000 7.135591 -0.000000\n-0.015274 0.000000 7.739254\nSr Ti Si O\n2 2 4 14\ndirect\n0.801357 0.250000 0.602712 Sr\n0.198645 0.750000 0.397287 Sr\n0.890696 0.750000 0.781389 Ti\n0.109305 0.250000 0.218610 Ti\n0.609805 0.524850 0.219610 Si\n0.609805 0.975150 0.219610 Si\n0.390196 0.024850 0.780390 Si\n0.390196 0.475150 0.780390 Si\n0.992672 0.250000 0.985341 O\n0.595823 0.562710 0.690362 O\n0.905460 0.437290 0.309637 O\n0.500000 0.500000 -0.000000 O\n0.595823 0.937289 0.690362 O\n0.905460 0.062710 0.309637 O\n0.094541 0.937289 0.690362 O\n0.404178 0.062710 0.309638 O\n0.094541 0.562710 0.690362 O\n0.404178 0.437290 0.309638 O\n0.007329 0.750000 0.014658 O\n0.359346 0.250000 0.718690 O\n0.640655 0.750000 0.281310 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "O-Si-Sr-Ti",
"density": 3.6120417644045717,
"density_atomic": 0.07879844196955947,
"volume": 279.1933374583573,
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"formula_full": "Sr2 Ti2 Si4 O14",
"formula_reduced": "SrTiSi2O7",
"formula_anonymous": "ABC2D7",
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}