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{
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"results": [
{
"id": "jvasp-94806",
"created_at": "2022-09-04T14:36:01.731963Z",
"updated_at": "2022-09-04T14:36:01.731991Z",
"structure_string": "K1 Sr1 Mg6\n1.0\n7.523481 -0.161598 0.000000\n-3.901689 6.757925 0.000000\n0.000000 0.000000 5.094242\nK Sr Mg\n1 1 6\ndirect\n0.085786 0.292892 0.250000 K\n0.248357 0.874177 0.250000 Sr\n0.670563 0.388248 0.250000 Mg\n0.670562 0.782315 0.250000 Mg\n0.396016 0.252035 0.750000 Mg\n0.396016 0.643982 0.750000 Mg\n0.678914 0.089458 0.750000 Mg\n0.853783 0.676890 0.750000 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
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"volume": 255.79521327099582,
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"formula_full": "K1 Sr1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-92199",
"created_at": "2022-09-04T14:37:41.280447Z",
"updated_at": "2022-09-04T14:37:41.280465Z",
"structure_string": "K1 Mg6 Ti1\n1.0\n6.600542 0.000992 0.000000\n-3.299413 5.716733 0.000000\n0.000000 0.000000 5.154630\nK Mg Ti\n1 6 1\ndirect\n0.416654 0.083345 0.750000 K\n0.064629 0.907242 0.250000 Mg\n0.592757 0.435371 0.250000 Mg\n0.592668 0.907331 0.250000 Mg\n0.397148 0.573576 0.750000 Mg\n0.926424 0.102852 0.750000 Mg\n0.926389 0.573610 0.750000 Mg\n0.083332 0.416668 0.250000 Ti\n",
"nsites": 8,
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"elements": [
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"Mg",
"Ti"
],
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"density_atomic": 0.041127026685329984,
"volume": 194.51928925495605,
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"formula_full": "K1 Mg6 Ti1",
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"spacegroup": 187
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{
"id": "jvasp-94073",
"created_at": "2022-09-04T14:36:10.040882Z",
"updated_at": "2022-09-04T14:36:10.040906Z",
"structure_string": "K1 Mg6 V1\n1.0\n6.534310 0.000333 0.000000\n-3.266868 5.659044 0.000000\n0.000000 0.000000 5.233848\nK Mg V\n1 6 1\ndirect\n0.416681 0.083319 0.750000 K\n0.066454 0.908211 0.250000 Mg\n0.591788 0.433544 0.250000 Mg\n0.591805 0.908193 0.250000 Mg\n0.398564 0.574276 0.750000 Mg\n0.925723 0.101435 0.750000 Mg\n0.925659 0.574340 0.750000 Mg\n0.083322 0.416677 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"V"
],
"chemical_system": "K-Mg-V",
"density": 2.0236935567168834,
"density_atomic": 0.04133455816002107,
"volume": 193.5426518660027,
"volume_molar": 14.569263657509312,
"formula_full": "K1 Mg6 V1",
"formula_reduced": "KMg6V",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-91830",
"created_at": "2022-09-04T14:36:19.398861Z",
"updated_at": "2022-09-04T14:36:19.398879Z",
"structure_string": "K1 Mg6 W1\n1.0\n6.294560 -1.686123 0.000000\n-4.607506 7.980434 0.000000\n0.000000 0.000000 4.373889\nK Mg W\n1 6 1\ndirect\n0.249929 0.374964 0.250000 K\n0.750017 0.375045 0.250000 Mg\n0.750016 0.874971 0.250000 Mg\n0.250007 0.090742 0.750000 Mg\n0.250006 0.659265 0.750000 Mg\n0.681424 0.090712 0.750000 Mg\n0.818589 0.659295 0.750000 Mg\n0.250009 0.875004 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"W"
],
"chemical_system": "K-Mg-W",
"density": 3.29692386925657,
"density_atomic": 0.04307211790715896,
"volume": 185.73500419096715,
"volume_molar": 13.981529241214925,
"formula_full": "K1 Mg6 W1",
"formula_reduced": "KMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3185465375,
"spacegroup": 123
},
{
"id": "jvasp-91776",
"created_at": "2022-09-04T14:35:54.633997Z",
"updated_at": "2022-09-04T14:35:54.634014Z",
"structure_string": "K6 Mn2\n1.0\n-8.104829 -0.000000 0.000000\n0.000000 8.104829 0.000000\n4.052414 -4.052414 -5.997443\nK Mn\n6 2\ndirect\n0.290614 0.209387 0.000000 K\n0.709387 0.790614 0.000000 K\n0.209387 0.709387 0.000000 K\n0.790614 0.290614 0.000000 K\n0.750000 0.750000 0.500000 K\n0.250000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Mn"
],
"chemical_system": "K-Mn",
"density": 1.4519159594712692,
"density_atomic": 0.02030655002188589,
"volume": 393.96155385222016,
"volume_molar": 29.65614914157988,
"formula_full": "K6 Mn2",
"formula_reduced": "K3Mn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5265103103448274,
"spacegroup": 140
},
{
"id": "jvasp-97499",
"created_at": "2022-09-04T14:35:41.682083Z",
"updated_at": "2022-09-04T14:35:41.682111Z",
"structure_string": "K8 Mn2 Mo8 O30\n1.0\n10.373256 -0.000000 -0.000000\n-5.186628 8.983503 -0.000000\n-0.000000 -0.000000 8.066690\nK Mn Mo O\n8 2 8 30\ndirect\n0.912384 0.611498 0.133952 K\n0.388501 0.300886 0.133952 K\n0.087616 0.388501 0.866048 K\n0.611499 0.699114 0.866048 K\n0.000000 0.000000 0.000000 K\n0.300885 0.912384 0.866048 K\n0.699115 0.087616 0.133952 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.458005 Mn\n0.333333 0.666667 0.541995 Mn\n0.983977 0.659860 0.638907 Mo\n0.324116 0.983976 0.361094 Mo\n0.666667 0.333333 0.856789 Mo\n0.340140 0.324116 0.638907 Mo\n0.333333 0.666667 0.143211 Mo\n0.675884 0.016024 0.638907 Mo\n0.016023 0.340139 0.361094 Mo\n0.659861 0.675884 0.361094 Mo\n0.364087 0.507511 0.665058 O\n0.635913 0.492488 0.334942 O\n0.007904 0.269350 0.559593 O\n0.208942 0.991218 0.204430 O\n0.143424 0.635912 0.665058 O\n0.261445 0.992095 0.559593 O\n0.791058 0.008782 0.795570 O\n0.825503 0.346370 0.950044 O\n0.519501 0.331807 0.655477 O\n0.738555 0.007904 0.440407 O\n0.730650 0.738554 0.559593 O\n0.174497 0.653630 0.049956 O\n0.008781 0.217724 0.204430 O\n0.346370 0.520867 0.049956 O\n0.269350 0.261446 0.440407 O\n0.856576 0.364087 0.334942 O\n0.480499 0.668193 0.344523 O\n0.992096 0.730650 0.440407 O\n0.812307 0.480499 0.655477 O\n0.507512 0.143424 0.334942 O\n0.782276 0.791057 0.204430 O\n0.492488 0.856576 0.665058 O\n0.331807 0.812306 0.344523 O\n0.187693 0.519500 0.344523 O\n0.668193 0.187694 0.655477 O\n0.520867 0.174497 0.950044 O\n0.217724 0.208943 0.795570 O\n0.479133 0.825502 0.049956 O\n0.653630 0.479133 0.950044 O\n0.991219 0.782276 0.795570 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Mn",
"Mo",
"O"
],
"chemical_system": "K-Mn-Mo-O",
"density": 3.6893695807973867,
"density_atomic": 0.06385355139883857,
"volume": 751.7201306499777,
"volume_molar": 9.43117591437449,
"formula_full": "K8 Mn2 Mo8 O30",
"formula_reduced": "K4MnMo4O15",
"formula_anonymous": "AB4C4D15",
"energy_above_hull": 3.129403972557471,
"spacegroup": 147
},
{
"id": "jvasp-57380",
"created_at": "2022-09-04T14:37:09.536906Z",
"updated_at": "2022-09-04T14:37:09.536923Z",
"structure_string": "K4 Na4 Mn4 O8\n1.0\n6.687691 0.059956 0.000000\n-0.187991 6.685318 0.000000\n0.000000 0.000000 7.023171\nK Na Mn O\n4 4 4 8\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.649379 0.649379 0.250000 Na\n0.350621 0.350622 0.250000 Na\n0.649379 0.649379 0.750000 Na\n0.350621 0.350622 0.750000 Na\n0.631258 0.164280 0.000000 Mn\n0.164279 0.631259 0.500000 Mn\n0.368742 0.835721 0.000000 Mn\n0.835721 0.368742 0.500000 Mn\n0.301341 0.698659 0.750000 O\n0.864290 0.690070 0.500000 O\n0.301341 0.698659 0.250000 O\n0.698659 0.301342 0.250000 O\n0.135710 0.309931 0.500000 O\n0.690069 0.864290 0.000000 O\n0.309931 0.135711 0.000000 O\n0.698659 0.301342 0.750000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Na",
"Mn",
"O"
],
"chemical_system": "K-Mn-Na-O",
"density": 3.1515702085938875,
"density_atomic": 0.06367794106586135,
"volume": 314.08050676943583,
"volume_molar": 9.457185108688378,
"formula_full": "K4 Na4 Mn4 O8",
"formula_reduced": "KNaMnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.290576248275862,
"spacegroup": 66
},
{
"id": "jvasp-79450",
"created_at": "2022-09-04T14:37:17.331943Z",
"updated_at": "2022-09-04T14:37:17.331973Z",
"structure_string": "K1 Mn1 O2\n1.0\n2.826254 -0.001237 0.686312\n1.338913 -3.101024 0.643118\n2.819538 -0.016870 -5.448787\nK Mn O\n1 1 2\ndirect\n0.000003 0.499989 0.500002 K\n-0.000014 0.000024 0.000002 Mn\n0.497706 0.820594 0.183987 O\n0.502293 0.179405 0.816008 O\n",
"nsites": 4,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.893022173631691,
"density_atomic": 0.0744056826991013,
"volume": 53.75933470264783,
"volume_molar": 8.093657018582448,
"formula_full": "K1 Mn1 O2",
"formula_reduced": "KMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5829330603448275,
"spacegroup": 12
},
{
"id": "jvasp-119657",
"created_at": "2022-09-04T14:38:36.651844Z",
"updated_at": "2022-09-04T14:38:36.651870Z",
"structure_string": "K1 Mn8 O16\n1.0\n5.594076 0.000643 -1.164991\n-1.401186 6.925089 0.289671\n0.013291 0.006060 7.073831\nK Mn O\n1 8 16\ndirect\n0.000000 0.000000 0.000000 K\n0.575255 0.818875 0.481713 Mn\n0.075783 0.818267 0.485138 Mn\n0.924216 0.181733 0.514862 Mn\n0.424745 0.181125 0.518287 Mn\n0.166978 0.485426 0.181710 Mn\n0.665571 0.481817 0.181095 Mn\n0.334429 0.518183 0.818905 Mn\n0.833022 0.514574 0.818290 Mn\n0.167150 0.291333 0.374842 O\n0.667392 0.293784 0.378213 O\n0.021710 0.374770 0.708831 O\n0.520182 0.377274 0.707127 O\n0.479818 0.622726 0.292873 O\n0.978290 0.625230 0.291168 O\n0.349411 0.356139 0.046259 O\n0.326456 0.953977 0.356091 O\n0.148446 0.645021 0.953220 O\n0.650589 0.643861 0.953741 O\n0.832850 0.708666 0.625158 O\n0.828243 0.953683 0.355031 O\n0.171757 0.046317 0.644969 O\n0.673544 0.046023 0.643909 O\n0.851554 0.354978 0.046780 O\n0.332608 0.706216 0.621787 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 4.449460965115372,
"density_atomic": 0.09119089774449439,
"volume": 274.1501686938855,
"volume_molar": 6.603883621009295,
"formula_full": "K1 Mn8 O16",
"formula_reduced": "KMn8O16",
"formula_anonymous": "AB8C16",
"energy_above_hull": 3.580302477241379,
"spacegroup": 2
},
{
"id": "jvasp-52810",
"created_at": "2022-09-04T14:35:45.976240Z",
"updated_at": "2022-09-04T14:35:45.976274Z",
"structure_string": "K1 Mn4 O8\n1.0\n4.573443 -0.111721 0.116798\n2.109785 4.850767 0.074347\n0.892841 0.112165 6.835543\nK Mn O\n1 4 8\ndirect\n0.868273 0.432131 0.425243 K\n0.041580 0.888888 0.865009 Mn\n0.503355 0.974594 0.678592 Mn\n0.752943 0.405255 0.973328 Mn\n0.478986 0.041842 0.164873 Mn\n0.082604 0.074332 0.101672 O\n0.479197 -0.029471 0.423476 O\n0.462843 0.399199 0.188198 O\n0.088619 0.217809 0.746898 O\n0.935147 0.815050 0.639184 O\n0.601284 0.126123 0.895994 O\n0.847568 0.682542 0.057859 O\n0.471048 0.663620 0.808229 O\n",
"nsites": 13,
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],
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"density": 4.205881032209802,
"density_atomic": 0.08511644717318498,
"volume": 152.73193879379295,
"volume_molar": 7.075178722799429,
"formula_full": "K1 Mn4 O8",
"formula_reduced": "KMn4O8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2107165358090186,
"spacegroup": 1
},
{
"id": "jvasp-3369",
"created_at": "2022-09-04T14:35:44.699901Z",
"updated_at": "2022-09-04T14:35:44.699920Z",
"structure_string": "K3 Mn1 O4\n1.0\n5.206903 0.569899 -2.396069\n-3.236704 4.673758 -0.926011\n0.394670 -0.569899 5.718148\nK Mn O\n3 1 4\ndirect\n0.500001 0.750000 0.250000 K\n0.500000 0.250000 0.750000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Mn\n0.693478 0.987487 0.987487 O\n-0.000000 0.012513 0.705992 O\n0.000001 0.705992 0.012514 O\n0.306522 0.294009 0.294009 O\n",
"nsites": 8,
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"elements": [
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],
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"density": 2.673099704849316,
"density_atomic": 0.054515499487773976,
"volume": 146.74725674657233,
"volume_molar": 11.046657953396478,
"formula_full": "K3 Mn1 O4",
"formula_reduced": "K3MnO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.3845669051724137,
"spacegroup": 121
},
{
"id": "jvasp-103610",
"created_at": "2022-09-04T14:37:01.288728Z",
"updated_at": "2022-09-04T14:37:01.288745Z",
"structure_string": "K1 Mn1 O3\n1.0\n3.768810 -0.000000 0.000000\n0.000000 3.768810 0.000000\n-0.000000 -0.000000 3.768810\nK Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Mn\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,
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"elements": [
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],
"chemical_system": "K-Mn-O",
"density": 4.405856532209527,
"density_atomic": 0.0934022361056614,
"volume": 53.53190896140585,
"volume_molar": 6.447533818341828,
"formula_full": "K1 Mn1 O3",
"formula_reduced": "KMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9299491482758615,
"spacegroup": 221
}
]
}