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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=537",
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"results": [
{
"id": "jvasp-119257",
"created_at": "2022-09-04T14:38:50.220457Z",
"updated_at": "2022-09-04T14:38:50.220481Z",
"structure_string": "Li8 V4 O8 F4\n1.0\n4.981573 0.019400 -1.118178\n-1.440149 5.461019 1.065578\n-0.014711 -0.003450 7.749259\nLi V O F\n8 4 8 4\ndirect\n0.500006 0.666669 0.833343 Li\n0.500003 0.166661 0.833344 Li\n0.000004 0.166665 0.333338 Li\n0.000004 0.666668 0.333339 Li\n0.479170 0.493240 0.506390 Li\n0.479166 0.993238 0.506390 Li\n0.520827 0.340080 0.160274 Li\n0.520827 0.840081 0.160272 Li\n0.014658 0.335538 0.672533 V\n0.985340 0.997795 -0.005868 V\n0.014656 0.835537 0.672531 V\n0.985338 0.497796 -0.005871 V\n0.761851 0.503070 0.749577 O\n0.761853 0.003069 0.749578 O\n0.238149 0.330266 0.917085 O\n0.238148 0.830268 0.917083 O\n0.226744 0.161540 0.580652 O\n0.226745 0.661539 0.580652 O\n0.773248 0.671794 0.086008 O\n0.773247 0.171793 0.086007 O\n0.254133 0.501910 0.246699 F\n0.745871 0.831434 0.419975 F\n0.745873 0.331435 0.419975 F\n0.254132 0.001907 0.246701 F\n",
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],
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"volume": 210.95357197724155,
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"formula_full": "Li8 V4 O8 F4",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-115480",
"created_at": "2022-09-04T14:38:50.298475Z",
"updated_at": "2022-09-04T14:38:50.298491Z",
"structure_string": "B2 Br2\n1.0\n5.438144 0.415854 0.553375\n-0.653265 -6.085429 -0.024879\n-1.564682 -0.667219 -2.721929\nB Br\n2 2\ndirect\n0.167533 0.047864 -0.037032 B\n0.361903 0.842185 0.260019 B\n0.533445 0.675213 0.014878 Br\n-0.004033 0.214822 0.208097 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
"chemical_system": "B-Br",
"density": 3.57649474991082,
"density_atomic": 0.04748532176334031,
"volume": 84.23655671820858,
"volume_molar": 12.682110042369393,
"formula_full": "B2 Br2",
"formula_reduced": "BBr",
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"energy_above_hull": 1.722753344166667,
"spacegroup": 12
},
{
"id": "jvasp-118245",
"created_at": "2022-09-04T14:38:50.126781Z",
"updated_at": "2022-09-04T14:38:50.126805Z",
"structure_string": "Li1 In1 F4\n1.0\n3.621016 0.007870 0.027185\n0.014813 3.622785 0.030164\n0.424275 0.405186 5.038456\nLi In F\n1 1 4\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 In\n0.459157 0.953239 0.249355 F\n0.952553 0.459993 0.249234 F\n0.540843 0.046760 0.750646 F\n0.047446 0.540006 0.750766 F\n",
"nsites": 6,
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"elements": [
"Li",
"In",
"F"
],
"chemical_system": "F-In-Li",
"density": 4.974720694365963,
"density_atomic": 0.09089680641683974,
"volume": 66.0089197466945,
"volume_molar": 6.625250102168964,
"formula_full": "Li1 In1 F4",
"formula_reduced": "LiInF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-118392",
"created_at": "2022-09-04T14:38:50.163263Z",
"updated_at": "2022-09-04T14:38:50.163296Z",
"structure_string": "Ge2 P2\n1.0\n5.230820 -1.001428 0.105493\n-3.548119 -4.837670 -0.412999\n-1.576824 -1.492942 -3.062809\nGe P\n2 2\ndirect\n0.083942 0.156195 0.026670 Ge\n0.616488 0.259191 0.690689 Ge\n0.529815 0.538436 0.868194 P\n0.170616 0.876945 0.849174 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"P"
],
"chemical_system": "Ge-P",
"density": 4.083717966404873,
"density_atomic": 0.04746999616967833,
"volume": 84.26375232267277,
"volume_molar": 12.686204436322809,
"formula_full": "Ge2 P2",
"formula_reduced": "GeP",
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"energy_above_hull": 1.302955725,
"spacegroup": 12
},
{
"id": "jvasp-119256",
"created_at": "2022-09-04T14:38:50.167625Z",
"updated_at": "2022-09-04T14:38:50.167650Z",
"structure_string": "Li6 Mn2 Co6 O16\n1.0\n5.648495 0.022163 -0.040810\n-2.854672 4.719462 -1.668482\n0.071602 -0.025429 9.778982\nLi Mn Co O\n6 2 6 16\ndirect\n0.750014 0.499998 0.249990 Li\n0.250017 0.499992 0.750011 Li\n0.999899 0.500015 -0.000074 Li\n0.500096 0.499984 0.500061 Li\n0.000081 0.499999 0.499965 Li\n0.499900 0.500003 0.000056 Li\n0.999981 0.000017 0.000004 Mn\n0.500020 -0.000018 0.499994 Mn\n0.749995 -0.000006 0.249997 Co\n0.249997 -0.000005 0.249999 Co\n0.000009 -0.000012 0.499998 Co\n0.250006 0.000005 0.750002 Co\n0.750001 0.000004 0.750000 Co\n0.499993 0.000015 0.000002 Co\n0.856409 0.215994 0.119177 O\n0.356436 0.215968 0.619170 O\n0.143571 0.784040 0.880830 O\n0.643590 0.783999 0.380820 O\n0.640470 0.784037 0.880829 O\n0.140493 0.784013 0.380824 O\n0.394916 0.789812 0.128219 O\n0.888943 0.777864 0.127882 O\n0.605066 0.210200 0.871776 O\n0.105076 0.210178 0.371775 O\n0.611047 0.222121 0.372111 O\n0.111043 0.222150 0.872113 O\n0.388962 0.777862 0.627888 O\n0.859533 0.215969 0.619172 O\n0.894936 0.789807 0.628228 O\n0.359505 0.215981 0.119177 O\n",
"nsites": 30,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.840987490209279,
"density_atomic": 0.11490997822913693,
"volume": 261.0739333722466,
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"formula_full": "Li6 Mn2 Co6 O16",
"formula_reduced": "Li3MnCo3O8",
"formula_anonymous": "AB3C3D8",
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"spacegroup": 12
},
{
"id": "jvasp-119259",
"created_at": "2022-09-04T14:38:50.261931Z",
"updated_at": "2022-09-04T14:38:50.261949Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.923934 0.084689 0.005344\n-1.737807 4.574429 0.005377\n-0.009272 -0.013732 8.457751\nLi Fe O\n6 4 12\ndirect\n0.000018 0.250020 0.249991 Li\n0.000020 0.750023 0.749991 Li\n0.999915 0.750067 0.098944 Li\n0.000044 0.249962 0.598966 Li\n-0.000068 0.250059 0.901034 Li\n0.000065 0.749950 0.401053 Li\n0.500003 0.250014 0.417613 Fe\n0.500004 0.750020 0.582394 Fe\n0.499996 0.749971 0.917609 Fe\n0.499997 0.249976 0.082388 Fe\n0.726566 0.011987 0.435020 O\n0.726566 0.511941 0.935004 O\n0.726586 0.011954 0.064993 O\n0.726577 0.512003 0.564997 O\n0.273432 0.988049 0.564998 O\n0.270513 0.541275 0.749994 O\n0.729485 0.958718 0.750009 O\n0.729477 0.458718 0.250005 O\n0.270521 0.041275 0.249998 O\n0.273414 0.488036 0.435009 O\n0.273434 0.488003 0.064982 O\n0.273426 0.987987 0.935006 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9577566375978868,
"density_atomic": 0.11473306713440629,
"volume": 191.74942803740853,
"volume_molar": 5.24882748313984,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
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"spacegroup": 12
},
{
"id": "jvasp-118828",
"created_at": "2022-09-04T14:38:50.292204Z",
"updated_at": "2022-09-04T14:38:50.292235Z",
"structure_string": "Ca2 Cu1 As2\n1.0\n3.656771 -2.867434 0.508259\n3.656771 2.867434 0.508259\n-1.643339 0.000000 5.752699\nCa Cu As\n2 1 2\ndirect\n0.321623 0.321623 0.742786 Ca\n0.678378 0.678378 0.257215 Ca\n0.000000 0.000000 0.000000 Cu\n0.274117 0.274117 0.243753 As\n0.725884 0.725884 0.756248 As\n",
"nsites": 5,
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"elements": [
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"Cu",
"As"
],
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"density": 3.886164656988312,
"density_atomic": 0.03986273764484706,
"volume": 125.43042187786958,
"volume_molar": 15.107193122694284,
"formula_full": "Ca2 Cu1 As2",
"formula_reduced": "Ca2CuAs2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5565729579999998,
"spacegroup": 12
},
{
"id": "jvasp-118854",
"created_at": "2022-09-04T14:38:50.361636Z",
"updated_at": "2022-09-04T14:38:50.361668Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n3.556973 -2.556205 0.490116\n3.556973 2.556205 0.490116\n-1.470745 0.000000 5.392116\nMg Cu As\n2 1 2\ndirect\n0.335334 0.335334 0.746183 Mg\n0.664667 0.664667 0.253819 Mg\n0.000000 0.000000 0.000000 Cu\n0.291066 0.291066 0.250317 As\n0.708935 0.708935 0.749685 As\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.276225140106089,
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"formula_full": "Mg2 Cu1 As2",
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"spacegroup": 12
},
{
"id": "jvasp-122467",
"created_at": "2022-09-04T14:38:50.413399Z",
"updated_at": "2022-09-04T14:38:50.413426Z",
"structure_string": "Sr3 Sn3 Au8\n1.0\n7.655638 0.040771 4.858727\n6.157654 4.549039 4.858727\n0.097619 0.032436 9.795655\nSr Sn Au\n3 3 8\ndirect\n0.700623 0.700624 0.264264 Sr\n0.299376 0.299377 0.735737 Sr\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sn\n0.328249 0.328250 0.323567 Sn\n0.671750 0.671751 0.676434 Sn\n0.874099 0.874100 0.853582 Au\n0.125900 0.125900 0.146419 Au\n0.136141 0.136141 0.573988 Au\n0.863859 0.863859 0.426013 Au\n0.493772 0.493773 0.318625 Au\n0.506227 0.506228 0.681376 Au\n0.649059 0.649060 0.974181 Au\n0.350941 0.350941 0.025820 Au\n",
"nsites": 14,
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"elements": [
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],
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"density": 10.836566100684749,
"density_atomic": 0.041628522442178906,
"volume": 336.3078768756611,
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"formula_full": "Sr3 Sn3 Au8",
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"formula_anonymous": "A3B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-118867",
"created_at": "2022-09-04T14:38:50.422201Z",
"updated_at": "2022-09-04T14:38:50.422226Z",
"structure_string": "As2 Se2 I2\n1.0\n6.631845 -1.977438 -0.063746\n6.631845 1.977438 -0.063746\n-5.623192 0.000000 6.875036\nAs Se I\n2 2 2\ndirect\n0.137321 0.137321 0.775159 As\n0.862679 0.862679 0.224840 As\n0.188072 0.188072 0.096009 Se\n0.811928 0.811928 0.903990 Se\n0.421789 0.421789 0.641996 I\n0.578210 0.578210 0.358004 I\n",
"nsites": 6,
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"elements": [
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"Se",
"I"
],
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"density": 5.212430778439932,
"density_atomic": 0.03353797985103323,
"volume": 178.90165199724015,
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"formula_full": "As2 Se2 I2",
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"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-117844",
"created_at": "2022-09-04T14:38:50.430164Z",
"updated_at": "2022-09-04T14:38:50.430191Z",
"structure_string": "P2 Br1\n1.0\n3.463862 0.028744 -0.619293\n1.843688 -2.997070 0.008738\n1.489235 1.896562 -6.394541\nP Br\n2 1\ndirect\n0.705517 0.976541 0.621448 P\n0.279904 0.144135 0.417902 P\n-0.007347 0.060361 0.019770 Br\n",
"nsites": 3,
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],
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"volume": 61.73679410258345,
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"formula_full": "P2 Br1",
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"spacegroup": 12
},
{
"id": "jvasp-119275",
"created_at": "2022-09-04T14:38:50.501475Z",
"updated_at": "2022-09-04T14:38:50.501501Z",
"structure_string": "Li8 Cr4 O12\n1.0\n2.824267 -0.005050 0.540134\n1.319998 9.478141 0.836691\n0.017203 0.016607 7.566880\nLi Cr O\n8 4 12\ndirect\n0.333299 0.000001 0.333327 Li\n0.333353 0.500001 0.833335 Li\n0.333328 0.249995 0.083323 Li\n0.333268 0.750000 0.583347 Li\n0.993583 0.756211 0.257046 Li\n0.993494 0.256219 0.757028 Li\n0.673272 0.243788 0.409618 Li\n0.673327 0.743784 0.909640 Li\n-0.009804 0.002807 0.016663 Cr\n0.676341 0.997194 0.649999 Cr\n-0.009721 0.502811 0.516668 Cr\n0.676474 0.497190 0.149997 Cr\n0.843109 0.118393 0.195262 O\n0.502893 0.885291 0.108728 O\n0.502958 0.385295 0.608726 O\n0.163787 0.614705 0.057941 O\n0.163656 0.114709 0.557936 O\n0.159903 0.393122 0.287094 O\n0.159798 0.893125 0.787095 O\n0.506829 0.606878 0.379572 O\n0.506734 0.106876 0.879569 O\n0.823435 0.881606 0.471403 O\n0.823528 0.381607 0.971400 O\n0.843164 0.618395 0.695267 O\n",
"nsites": 24,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.73539286257681,
"density_atomic": 0.11852366973695509,
"volume": 202.49119904289395,
"volume_molar": 5.080960430406186,
"formula_full": "Li8 Cr4 O12",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.103882983333334,
"spacegroup": 12
}
]
}