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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1168",
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"results": [
{
"id": "jvasp-69053",
"created_at": "2022-09-04T14:36:04.773763Z",
"updated_at": "2022-09-04T14:36:04.773790Z",
"structure_string": "Ba1 Ca1 Ti4\n1.0\n-0.000000 4.256127 4.256127\n4.256127 0.000000 4.256127\n4.256127 4.256127 -0.000000\nBa Ca Ti\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Ca\n0.087224 0.637593 0.637593 Ti\n0.637593 0.637593 0.637593 Ti\n0.637593 0.087224 0.637593 Ti\n0.637593 0.637593 0.087224 Ti\n",
"nsites": 6,
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"volume": 154.19622135830627,
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{
"id": "jvasp-34245",
"created_at": "2022-09-04T14:37:13.363423Z",
"updated_at": "2022-09-04T14:37:13.363446Z",
"structure_string": "Rb4 C1 O4\n1.0\n4.907817 -0.000019 -2.194286\n-1.259181 5.424026 -2.816123\n0.023090 -0.137909 6.636952\nRb C O\n4 1 4\ndirect\n0.479548 0.377316 0.290096 Rb\n0.810533 0.912755 0.290091 Rb\n0.189454 0.622692 0.709909 Rb\n0.520429 0.087253 0.709900 Rb\n0.000007 0.499996 -0.000000 C\n0.765746 0.550658 0.836234 O\n0.929497 0.449335 0.163764 O\n0.234279 0.714419 0.163774 O\n0.070511 0.285576 0.836233 O\n",
"nsites": 9,
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"elements": [
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"O"
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"density_atomic": 0.05152748177195234,
"volume": 174.66407614933976,
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"formula_full": "Rb4 C1 O4",
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"formula_anonymous": "AB4C4",
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"spacegroup": 23
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{
"id": "jvasp-118813",
"created_at": "2022-09-04T14:38:49.268721Z",
"updated_at": "2022-09-04T14:38:49.268745Z",
"structure_string": "Na1 Zn2\n1.0\n5.511361 0.000000 -1.143920\n0.000000 2.755201 0.000000\n-0.981845 0.000000 4.437456\nNa Zn\n1 2\ndirect\n0.466667 0.000000 0.133327 Na\n-0.145555 0.000000 -0.173736 Zn\n0.078888 0.000000 0.440410 Zn\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.972816269130786,
"density_atomic": 0.046665117581357246,
"volume": 64.28784830060093,
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"formula_full": "Na1 Zn2",
"formula_reduced": "NaZn2",
"formula_anonymous": "AB2",
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"spacegroup": 65
},
{
"id": "jvasp-119065",
"created_at": "2022-09-04T14:38:50.943247Z",
"updated_at": "2022-09-04T14:38:50.943278Z",
"structure_string": "K2 Mn2 I2 O12\n1.0\n5.083506 -0.000000 0.000000\n-2.541753 4.402446 0.000000\n-0.000000 -0.000000 11.838412\nK Mn I O\n2 2 2 12\ndirect\n0.666668 0.333334 0.250000 K\n0.666668 0.333334 0.750000 K\n0.333334 0.666667 0.500000 Mn\n0.333334 0.666667 -0.000000 Mn\n0.000000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.664979 0.952148 0.590897 O\n0.664979 0.952148 0.090897 O\n0.664979 0.712831 0.909103 O\n0.664979 0.712831 0.409103 O\n0.287171 0.335023 0.590897 O\n0.287171 0.952148 0.409103 O\n0.287171 0.952148 0.909103 O\n0.047853 0.712831 0.090897 O\n0.047853 0.335023 0.909103 O\n0.047853 0.335023 0.409103 O\n0.287171 0.335023 0.090897 O\n0.047853 0.712831 0.590897 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"Mn",
"I",
"O"
],
"chemical_system": "I-K-Mn-O",
"density": 3.972843908678449,
"density_atomic": 0.06793939525042639,
"volume": 264.94201094448266,
"volume_molar": 8.863989350806307,
"formula_full": "K2 Mn2 I2 O12",
"formula_reduced": "KMnIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.160903612931034,
"spacegroup": 149
},
{
"id": "jvasp-44379",
"created_at": "2022-09-04T14:38:14.622467Z",
"updated_at": "2022-09-04T14:38:14.622485Z",
"structure_string": "Zn4 Cr4 O16\n1.0\n5.004199 4.599764 -0.018242\n-5.004199 4.599764 0.018242\n-1.632005 0.000000 6.593858\nZn Cr O\n4 4 16\ndirect\n0.205446 0.794553 0.864163 Zn\n0.181670 0.181671 0.500000 Zn\n0.818328 0.818329 0.500000 Zn\n0.794553 0.205446 0.135837 Zn\n0.275776 0.724223 0.411139 Cr\n0.255078 0.255078 -0.000000 Cr\n0.744921 0.744921 -0.000000 Cr\n0.724223 0.275777 0.588862 Cr\n0.487305 0.218962 0.107052 O\n0.781037 0.512694 0.107052 O\n0.784863 0.513090 0.520584 O\n0.486909 0.215136 0.520584 O\n0.110585 0.199316 0.184531 O\n0.800683 0.889414 0.184531 O\n0.199316 0.110586 0.815469 O\n0.218962 0.487305 0.892948 O\n0.513090 0.784864 0.479416 O\n0.215135 0.486909 0.479416 O\n0.786975 0.213025 0.835196 O\n0.512694 0.781038 0.892948 O\n0.213024 0.786975 0.164805 O\n0.142653 0.857346 0.537069 O\n0.889414 0.800683 0.815469 O\n0.857346 0.142654 0.462931 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 3.9728771927118003,
"density_atomic": 0.07913407799874696,
"volume": 303.28273996419125,
"volume_molar": 7.610047292261822,
"formula_full": "Zn4 Cr4 O16",
"formula_reduced": "ZnCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.080471966666668,
"spacegroup": 12
},
{
"id": "jvasp-34172",
"created_at": "2022-09-04T14:37:28.906684Z",
"updated_at": "2022-09-04T14:37:28.906709Z",
"structure_string": "Mg18 Sn10\n1.0\n8.790197 0.048783 -1.092622\n-1.242779 8.702037 -1.092622\n0.042074 0.048783 8.857743\nMg Sn\n18 10\ndirect\n0.650884 0.339203 0.247184 Mg\n0.665132 0.597464 0.968408 Mg\n0.597464 0.968408 0.665133 Mg\n0.989199 0.071543 0.670882 Mg\n0.071543 0.670882 0.989199 Mg\n0.000717 0.918417 0.319099 Mg\n0.918417 0.319099 0.000718 Mg\n0.319098 0.000717 0.918416 Mg\n0.968408 0.665132 0.597464 Mg\n0.670882 0.989200 0.071544 Mg\n0.324804 0.392432 0.021476 Mg\n0.021475 0.324804 0.392432 Mg\n0.742731 0.339031 0.650709 Mg\n0.650709 0.742731 0.339031 Mg\n0.339031 0.650709 0.742731 Mg\n0.247184 0.650884 0.339204 Mg\n0.339203 0.247184 0.650883 Mg\n0.392432 0.021475 0.324804 Mg\n0.244970 0.906870 0.583444 Sn\n0.406510 0.744939 0.083054 Sn\n0.083053 0.406510 0.744938 Sn\n0.744939 0.083053 0.406510 Sn\n0.863124 0.863124 0.863124 Sn\n0.626451 0.626451 0.626452 Sn\n0.126827 0.126827 0.126827 Sn\n0.906870 0.583444 0.244970 Sn\n0.363495 0.363495 0.363495 Sn\n0.583444 0.244970 0.906869 Sn\n",
"nsites": 28,
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"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.9729153897119587,
"density_atomic": 0.04123580472335459,
"volume": 679.0215490602934,
"volume_molar": 14.604154812551187,
"formula_full": "Mg18 Sn10",
"formula_reduced": "Mg9Sn5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.0888774918367347,
"spacegroup": 148
},
{
"id": "jvasp-119932",
"created_at": "2022-09-04T14:38:49.052174Z",
"updated_at": "2022-09-04T14:38:49.052193Z",
"structure_string": "Ba1 Ca1 Br2\n1.0\n4.212349 0.000000 -0.000000\n0.000000 4.212349 0.000000\n-0.000000 0.000000 7.942599\nBa Ca Br\n1 1 2\ndirect\n0.500001 0.500001 0.809150 Ba\n0.000000 0.000000 0.392423 Ca\n0.000000 0.000000 0.007015 Br\n0.500001 0.500001 0.291412 Br\n",
"nsites": 4,
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"elements": [
"Ba",
"Ca",
"Br"
],
"chemical_system": "Ba-Br-Ca",
"density": 3.9732151022833286,
"density_atomic": 0.02838237034038042,
"volume": 140.93255609131012,
"volume_molar": 21.217892261211627,
"formula_full": "Ba1 Ca1 Br2",
"formula_reduced": "BaCaBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-110535",
"created_at": "2022-09-04T14:38:39.069548Z",
"updated_at": "2022-09-04T14:38:39.069563Z",
"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
"nsites": 10,
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"elements": [
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"Fe",
"S"
],
"chemical_system": "Fe-S-Ti",
"density": 3.9732626707776055,
"density_atomic": 0.06106520862846989,
"volume": 163.75936846202453,
"volume_molar": 9.861819676470164,
"formula_full": "Ti3 Fe1 S6",
"formula_reduced": "Ti3FeS6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.01650305,
"spacegroup": 148
},
{
"id": "jvasp-10303",
"created_at": "2022-09-04T14:37:07.186735Z",
"updated_at": "2022-09-04T14:37:07.186759Z",
"structure_string": "Rb4 Sn2 As4\n1.0\n6.411261 -0.000000 -2.810181\n-1.409085 6.580193 -3.214745\n-0.008717 0.021606 8.698662\nRb Sn As\n4 2 4\ndirect\n0.855286 0.014692 0.710571 Rb\n0.644713 0.304119 0.289428 Rb\n0.144713 0.985308 0.289428 Rb\n0.355285 0.695881 0.710570 Rb\n0.250000 0.500000 -0.000001 Sn\n0.749999 0.500000 -0.000000 Sn\n0.394478 0.210662 0.788955 As\n0.105521 0.421705 0.211044 As\n0.605521 0.789338 0.211044 As\n0.894477 0.578295 0.788955 As\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "As-Rb-Sn",
"density": 3.973334121981435,
"density_atomic": 0.027222510991579546,
"volume": 367.3430420541733,
"volume_molar": 22.121915064568313,
"formula_full": "Rb4 Sn2 As4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
"nsites": 38,
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],
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"density": 3.973409363886416,
"density_atomic": 0.06373764463605174,
"volume": 596.1939795074601,
"volume_molar": 9.448326486469684,
"formula_full": "Rb4 U2 Si8 O24",
"formula_reduced": "Rb2U(SiO3)4",
"formula_anonymous": "AB2C4D12",
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"spacegroup": 2
},
{
"id": "jvasp-80946",
"created_at": "2022-09-04T14:37:13.950209Z",
"updated_at": "2022-09-04T14:37:13.950218Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-9.155880 0.000000 -5.286150\n-6.054391 0.217442 -0.085787\n-5.172594 2.711543 -1.613105\nLi Cd Ga\n2 1 1\ndirect\n0.758248 -0.000000 -0.000000 Li\n0.241752 -0.000000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ga"
],
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"density": 3.973414598398501,
"density_atomic": 0.04882960986381481,
"volume": 81.9175088876596,
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"formula_full": "Li2 Cd1 Ga1",
"formula_reduced": "Li2CdGa",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-109378",
"created_at": "2022-09-04T14:38:26.852415Z",
"updated_at": "2022-09-04T14:38:26.852436Z",
"structure_string": "Na1 Sb1 S2\n1.0\n4.004799 0.000000 0.000000\n0.000000 4.004799 0.000000\n0.000000 -0.000000 5.442384\nNa Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.9736979084634174,
"density_atomic": 0.04582572689205921,
"volume": 87.28721334681391,
"volume_molar": 13.141397133066603,
"formula_full": "Na1 Sb1 S2",
"formula_reduced": "NaSbS2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
}
]
}