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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=314",
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"results": [
{
"id": "jvasp-122647",
"created_at": "2022-09-04T14:38:54.074329Z",
"updated_at": "2022-09-04T14:38:54.074365Z",
"structure_string": "Be1 Ga3\n1.0\n4.285644 -0.222985 0.017238\n-2.269553 3.642196 -0.017238\n0.017386 -0.010251 4.483189\nBe Ga\n1 3\ndirect\n0.188066 0.811938 0.918244 Be\n0.313420 0.686582 0.410714 Ga\n0.885181 0.114821 0.028566 Ga\n0.613338 0.386665 0.642477 Ga\n",
"nsites": 4,
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"elements": [
"Be",
"Ga"
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"chemical_system": "Be-Ga",
"density": 5.350849042432595,
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"volume": 67.70857735565215,
"volume_molar": 10.193764587377146,
"formula_full": "Be1 Ga3",
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{
"id": "jvasp-117491",
"created_at": "2022-09-04T14:38:53.795989Z",
"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "B2 I2\n1.0\n5.839080 1.330312 0.090861\n-0.508092 -5.948368 0.652795\n-1.658860 -2.418613 -2.996235\nB I\n2 2\ndirect\n0.893067 -0.005483 0.958558 B\n0.690158 0.197453 0.542249 B\n0.817961 0.568158 0.090133 I\n0.320176 0.070317 0.090251 I\n",
"nsites": 4,
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"elements": [
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"I"
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"chemical_system": "B-I",
"density": 4.194590820484423,
"density_atomic": 0.03668493650029375,
"volume": 109.03657963175077,
"volume_molar": 16.415840763283803,
"formula_full": "B2 I2",
"formula_reduced": "BI",
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{
"id": "jvasp-122019",
"created_at": "2022-09-04T14:38:53.796963Z",
"updated_at": "2022-09-04T14:38:53.796987Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.949621 0.000159 0.672496\n4.145593 2.704220 0.672496\n0.077156 0.022942 15.058077\nLi Mn Co O\n7 2 3 12\ndirect\n0.261700 0.261700 0.080899 Li\n0.745235 0.745235 0.256529 Li\n0.221366 0.221365 0.436856 Li\n0.747396 0.747395 0.579910 Li\n0.248134 0.248133 0.743903 Li\n0.757308 0.757307 0.908774 Li\n0.488831 0.488830 0.509618 Li\n0.009187 0.009185 0.995869 Mn\n0.513324 0.513325 0.164157 Mn\n-0.003089 -0.003091 0.666359 Co\n0.500962 0.500961 0.832381 Co\n0.982035 0.982035 0.351191 Co\n0.114603 0.114601 0.876212 O\n0.393367 0.393365 0.955059 O\n0.900672 0.900673 0.114325 O\n0.405620 0.405620 0.275076 O\n0.861350 0.861350 0.454444 O\n0.383353 0.383352 0.634505 O\n0.892259 0.892258 0.791825 O\n0.129599 0.129598 0.192952 O\n0.610322 0.610323 0.370286 O\n0.109421 0.109420 0.557767 O\n0.604327 0.604326 0.715502 O\n0.622728 0.622728 0.035608 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.347477080395979,
"density_atomic": 0.11917313035271666,
"volume": 201.38767798552584,
"volume_molar": 5.053270600659958,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6945141326149424,
"spacegroup": 8
},
{
"id": "jvasp-122014",
"created_at": "2022-09-04T14:38:53.683805Z",
"updated_at": "2022-09-04T14:38:53.683834Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.818290 -0.101559 0.280331\n0.134111 5.686074 0.670894\n-0.006269 -0.127525 14.326188\nLi Mn Co O\n8 2 4 14\ndirect\n0.000059 0.503637 -0.000097 Li\n0.581613 0.782375 0.836888 Li\n0.146499 0.063418 0.707133 Li\n0.425703 0.219451 0.148574 Li\n0.854526 0.927145 0.290961 Li\n0.283488 0.638816 0.432933 Li\n0.709583 0.363982 0.580490 Li\n0.145529 0.580795 0.708722 Li\n-0.001143 -0.000209 0.002422 Mn\n0.574984 0.292670 0.850352 Mn\n0.856589 0.429400 0.286823 Co\n0.427616 0.715902 0.144886 Co\n0.713387 0.849690 0.572943 Co\n0.285509 0.141962 0.428860 Co\n0.789562 0.371606 0.421217 O\n0.496350 0.766513 0.006991 O\n0.066644 0.047808 0.866436 O\n0.636840 0.311655 0.726492 O\n0.924941 0.488665 0.149741 O\n0.354068 0.199672 0.291381 O\n0.782933 0.913365 0.433518 O\n0.215073 0.628199 0.569067 O\n0.500643 0.231454 0.999314 O\n0.070585 0.510883 0.859573 O\n0.648469 0.824472 0.702946 O\n0.930827 0.950456 0.138949 O\n0.360327 0.660316 0.279795 O\n0.218789 0.085880 0.562689 O\n",
"nsites": 28,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512886917833775,
"density_atomic": 0.12172901473378486,
"volume": 230.0191130375496,
"volume_molar": 4.947169557865982,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.556065252955665,
"spacegroup": 8
},
{
"id": "jvasp-120611",
"created_at": "2022-09-04T14:38:53.731378Z",
"updated_at": "2022-09-04T14:38:53.731401Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.193706 -0.059264 1.490922\n5.567219 2.715065 1.490922\n0.117191 0.026464 11.695228\nLi Mn Co O\n7 4 1 12\ndirect\n0.669995 0.669994 0.074342 Li\n0.000381 0.000380 0.252200 Li\n0.333003 0.333002 0.428041 Li\n0.329662 0.329660 0.899111 Li\n-0.010063 -0.010065 0.747259 Li\n0.676503 0.676501 0.596943 Li\n0.330669 0.330667 0.675059 Li\n-0.000888 -0.000890 0.998776 Mn\n0.995330 0.995328 0.504744 Mn\n0.333466 0.333465 0.167060 Mn\n0.670075 0.670073 0.331274 Mn\n0.667037 0.667034 0.830283 Co\n0.496040 0.496040 0.117246 O\n0.832090 0.832089 0.282379 O\n0.165746 0.165745 0.444591 O\n0.156853 0.156850 0.952082 O\n0.822659 0.822657 0.794468 O\n0.505736 0.505734 0.608756 O\n0.836397 0.836396 0.052336 O\n0.170967 0.170967 0.214220 O\n0.509437 0.509436 0.380919 O\n0.500228 0.500225 0.887496 O\n0.161718 0.161717 0.724872 O\n0.846967 0.846965 0.535539 O\n",
"nsites": 24,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.310872754635336,
"density_atomic": 0.11998809295463063,
"volume": 200.01984704494615,
"volume_molar": 5.018948640409731,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.787270911063218,
"spacegroup": 8
},
{
"id": "jvasp-121200",
"created_at": "2022-09-04T14:38:53.909960Z",
"updated_at": "2022-09-04T14:38:53.909997Z",
"structure_string": "Li2 Te2\n1.0\n6.392225 0.351714 0.744897\n4.771842 -3.735748 0.242939\n-1.106127 -1.738062 -4.197058\nLi Te\n2 2\ndirect\n0.901967 0.001985 0.886369 Li\n0.539108 0.832403 0.703556 Li\n0.707130 0.447149 0.289878 Te\n0.476131 0.160713 0.170166 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Te"
],
"chemical_system": "Li-Te",
"density": 4.4408041849826265,
"density_atomic": 0.0397546441587387,
"volume": 100.617175292229,
"volume_molar": 15.148269812084932,
"formula_full": "Li2 Te2",
"formula_reduced": "LiTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.1467388833333334,
"spacegroup": 8
},
{
"id": "jvasp-123614",
"created_at": "2022-09-04T14:38:54.254474Z",
"updated_at": "2022-09-04T14:38:54.254497Z",
"structure_string": "P3 S1\n1.0\n3.088364 -0.000000 -0.988933\n-0.013687 4.208212 -0.042742\n0.291374 -0.218491 6.226770\nP S\n3 1\ndirect\n0.639314 0.211960 0.278630 P\n0.093728 0.525437 0.187457 P\n0.901584 0.466983 0.803174 P\n0.365367 0.795620 0.730739 S\n",
"nsites": 4,
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"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.5277349440277574,
"density_atomic": 0.04871694688860953,
"volume": 82.10695159419436,
"volume_molar": 12.36149049686862,
"formula_full": "P3 S1",
"formula_reduced": "P3S",
"formula_anonymous": "AB3",
"energy_above_hull": 2.720639125,
"spacegroup": 8
},
{
"id": "jvasp-119589",
"created_at": "2022-09-04T14:38:53.972012Z",
"updated_at": "2022-09-04T14:38:53.972043Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n7.137852 -0.004376 2.363873\n6.573328 2.782139 2.363873\n0.030364 0.006152 9.959905\nLi Mn Co O\n7 2 3 12\ndirect\n0.162385 0.162385 0.255497 Li\n0.838279 0.838277 0.735944 Li\n0.499364 0.499363 0.277783 Li\n0.171955 0.171954 0.743627 Li\n0.833463 0.833461 0.256009 Li\n0.495027 0.495026 0.729077 Li\n-0.004938 -0.004938 0.503981 Li\n0.000480 0.000480 0.000268 Mn\n0.663077 0.663075 0.496559 Mn\n0.666743 0.666741 0.001167 Co\n0.336069 0.336068 0.501023 Co\n0.333771 0.333770 -0.001230 Co\n0.753181 0.753179 0.609531 O\n0.244457 0.244456 0.895597 O\n0.907412 0.907410 0.387177 O\n0.579795 0.579793 0.889596 O\n0.246740 0.246739 0.388568 O\n0.914905 0.914903 0.890074 O\n0.592436 0.592434 0.379386 O\n0.093179 0.093179 0.613704 O\n0.755905 0.755904 0.104652 O\n0.409812 0.409810 0.620545 O\n0.085810 0.085810 0.110796 O\n0.420705 0.420704 0.110670 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
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"density_atomic": 0.1212935857545964,
"volume": 197.86701704538012,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
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{
"id": "jvasp-123559",
"created_at": "2022-09-04T14:38:54.026273Z",
"updated_at": "2022-09-04T14:38:54.026299Z",
"structure_string": "P3 C1\n1.0\n2.933843 0.000000 -0.939453\n0.116685 4.892153 0.364399\n-0.056471 0.336019 4.874456\nP C\n3 1\ndirect\n0.581895 0.065853 0.163790 P\n0.096940 0.362514 0.193878 P\n0.881951 0.705185 0.763902 P\n0.439217 0.866447 0.878434 C\n",
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{
"id": "jvasp-123611",
"created_at": "2022-09-04T14:38:54.106191Z",
"updated_at": "2022-09-04T14:38:54.106218Z",
"structure_string": "P3 Rh1\n1.0\n3.169351 -0.000000 -1.014866\n-0.187430 3.650047 -0.585330\n0.065654 -0.871883 5.661288\nP Rh\n3 1\ndirect\n0.593079 0.124736 0.186158 P\n0.131985 0.547407 0.263971 P\n0.906456 0.470413 0.812915 P\n0.368476 0.857448 0.736955 Rh\n",
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{
"id": "jvasp-123616",
"created_at": "2022-09-04T14:38:54.144972Z",
"updated_at": "2022-09-04T14:38:54.144997Z",
"structure_string": "Sc1 P3\n1.0\n3.365482 -0.000000 -1.077670\n-0.042133 3.837018 -0.131579\n-0.142501 -0.204947 5.348888\nSc P\n1 3\ndirect\n0.339401 -0.024704 0.678804 Sc\n0.621458 0.069102 0.242915 P\n0.128541 0.461539 0.257080 P\n0.910600 0.494062 0.821202 P\n",
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{
"id": "jvasp-123557",
"created_at": "2022-09-04T14:38:54.190888Z",
"updated_at": "2022-09-04T14:38:54.190915Z",
"structure_string": "Bi1 P3\n1.0\n3.510181 -0.000000 -1.124004\n-0.034566 4.572038 -0.107948\n-0.068940 -0.150978 5.827721\nBi P\n1 3\ndirect\n0.368906 0.919119 0.737815 Bi\n0.612260 0.126010 0.224519 P\n0.107664 0.445060 0.215328 P\n0.911168 0.509812 0.822337 P\n",
"nsites": 4,
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"formula_full": "Bi1 P3",
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"spacegroup": 8
}
]
}