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{
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"results": [
{
"id": "jvasp-9157",
"created_at": "2022-09-04T14:37:36.314708Z",
"updated_at": "2022-09-04T14:37:36.314735Z",
"structure_string": "Mn2 P8\n1.0\n-5.144923 -0.003441 0.000480\n-0.388656 -5.853494 0.004766\n2.570176 1.928472 4.940359\nMn P\n2 8\ndirect\n0.001310 0.724092 0.215971 Mn\n0.998690 0.275908 0.784030 Mn\n0.443809 0.197270 0.044004 P\n0.556191 0.802730 0.955997 P\n0.448885 0.695298 0.510753 P\n0.551115 0.304702 0.489249 P\n0.126826 0.668327 0.882265 P\n0.873174 0.331672 0.117736 P\n0.879664 0.848318 0.578598 P\n0.120336 0.151682 0.421403 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"P"
],
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"density": 3.9905778351895838,
"density_atomic": 0.06719064419903713,
"volume": 148.83024443666972,
"volume_molar": 8.96276681342832,
"formula_full": "Mn2 P8",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.364397848275862,
"spacegroup": 2
},
{
"id": "jvasp-20213",
"created_at": "2022-09-04T14:37:41.334599Z",
"updated_at": "2022-09-04T14:37:41.334617Z",
"structure_string": "Mn6 P3\n1.0\n3.042970 -5.270578 0.000000\n3.042970 5.270578 -0.000000\n0.000000 -0.000000 3.273546\nMn P\n6 3\ndirect\n0.256506 0.256506 0.000000 Mn\n0.743494 -0.000000 0.000000 Mn\n0.599194 0.599194 0.500001 Mn\n-0.000000 0.743494 0.000000 Mn\n0.400806 -0.000000 0.500001 Mn\n-0.000000 0.400806 0.500001 Mn\n0.333333 0.666667 -0.000006 P\n0.000000 0.000000 0.500001 P\n0.666667 0.333333 0.000006 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.682244893970557,
"density_atomic": 0.08571131340242064,
"volume": 105.0036412083008,
"volume_molar": 7.026074529654711,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-36319",
"created_at": "2022-09-04T14:37:16.346098Z",
"updated_at": "2022-09-04T14:37:16.346123Z",
"structure_string": "Mn1 P1\n1.0\n2.585378 2.585378 0.000000\n2.585378 -0.000000 -2.585378\n0.000000 2.585378 -2.585378\nMn P\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 4.127620957064272,
"density_atomic": 0.05786658501073559,
"volume": 34.562260752538855,
"volume_molar": 10.406939961780626,
"formula_full": "Mn1 P1",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy_above_hull": 2.4144363706896548,
"spacegroup": 216
},
{
"id": "jvasp-90496",
"created_at": "2022-09-04T14:36:04.060427Z",
"updated_at": "2022-09-04T14:36:04.060446Z",
"structure_string": "Mn6 P3\n1.0\n6.085981 -0.000000 0.000000\n-3.042992 5.270615 -0.000000\n-0.000000 0.000000 3.273728\nMn P\n6 3\ndirect\n0.256502 0.256501 0.000000 Mn\n0.743498 0.000000 0.000000 Mn\n0.599205 0.599205 0.500000 Mn\n-0.000000 0.743498 0.000000 Mn\n0.400794 0.000000 0.500000 Mn\n-0.000000 0.400794 0.500000 Mn\n0.333333 0.666666 0.000004 P\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.999997 P\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 6.6817814793037495,
"density_atomic": 0.08570536931022224,
"volume": 105.01092373131578,
"volume_molar": 7.0265618227512014,
"formula_full": "Mn6 P3",
"formula_reduced": "Mn2P",
"formula_anonymous": "AB2",
"energy_above_hull": 3.245913327586207,
"spacegroup": 189
},
{
"id": "jvasp-30315",
"created_at": "2022-09-04T14:37:59.911030Z",
"updated_at": "2022-09-04T14:37:59.911041Z",
"structure_string": "Mn6 P24\n1.0\n4.819766 0.000000 -0.011639\n0.000000 13.711430 0.000000\n-1.471053 0.000000 6.867963\nMn P\n6 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.130140 0.335666 0.857490 Mn\n0.000000 0.000000 0.000000 Mn\n0.130140 0.164334 0.357490 Mn\n0.869861 0.835666 0.642509 Mn\n0.869861 0.664334 0.142509 Mn\n0.489977 0.278539 0.446831 P\n0.641985 0.890990 0.868951 P\n0.737453 0.113846 0.791649 P\n0.510024 0.778539 0.053169 P\n0.788349 0.448740 0.748114 P\n0.641985 0.609010 0.368951 P\n0.630423 0.556605 0.936745 P\n0.737453 0.386154 0.291649 P\n0.788349 0.051260 0.248115 P\n0.630423 0.943395 0.436745 P\n0.369578 0.443395 0.063255 P\n0.262548 0.886154 0.208351 P\n0.358016 0.109010 0.131049 P\n0.921125 0.224892 0.616197 P\n0.489977 0.221461 0.946831 P\n0.369578 0.056605 0.563255 P\n0.358017 0.390990 0.631048 P\n0.211652 0.551260 0.251885 P\n0.262549 0.613846 0.708350 P\n0.211652 0.948740 0.751885 P\n0.078876 0.775108 0.383803 P\n0.078877 0.724892 0.883803 P\n0.510024 0.721461 0.553168 P\n0.921125 0.275108 0.116197 P\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.9276816162018835,
"density_atomic": 0.0661316403038615,
"volume": 453.6406455692929,
"volume_molar": 9.106292740251838,
"formula_full": "Mn6 P24",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.374641848275862,
"spacegroup": 14
},
{
"id": "jvasp-37180",
"created_at": "2022-09-04T14:38:04.070617Z",
"updated_at": "2022-09-04T14:38:04.070655Z",
"structure_string": "Mn2 P2\n1.0\n1.680266 -2.910308 0.000000\n1.680266 2.910308 -0.000000\n-0.000000 -0.000000 5.330028\nMn P\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666668 0.250000 P\n0.666668 0.333334 0.750000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 5.473378324925751,
"density_atomic": 0.07673323578638419,
"volume": 52.128650108481075,
"volume_molar": 7.848151714551558,
"formula_full": "Mn2 P2",
"formula_reduced": "MnP",
"formula_anonymous": "AB",
"energy_above_hull": 2.1848913706896544,
"spacegroup": 194
},
{
"id": "jvasp-100064",
"created_at": "2022-09-04T14:36:32.775343Z",
"updated_at": "2022-09-04T14:36:32.775370Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n4.696726 0.000073 -2.711590\n1.565656 4.834157 -2.711375\n-0.000057 -0.000268 5.423273\nZr Mn O\n2 2 6\ndirect\n0.796788 0.609581 0.203154 Zr\n0.296790 0.109577 0.703150 Zr\n0.515935 0.452160 0.484013 Mn\n0.015915 0.952169 0.984007 Mn\n0.188559 0.312968 0.417214 O\n0.915695 0.312947 0.811395 O\n0.415694 0.812955 0.917204 O\n0.582753 0.312944 0.084244 O\n0.082729 0.812964 0.311384 O\n0.688547 0.812936 0.584240 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Zr",
"density": 5.236906352255703,
"density_atomic": 0.08121484192379504,
"volume": 123.13020333627112,
"volume_molar": 7.415074162984462,
"formula_full": "Zr2 Mn2 O6",
"formula_reduced": "ZrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8146984482758617,
"spacegroup": 161
},
{
"id": "jvasp-44228",
"created_at": "2022-09-04T14:38:08.855719Z",
"updated_at": "2022-09-04T14:38:08.855743Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n5.423345 0.000042 0.000395\n2.711633 4.696771 0.000115\n2.711257 1.565696 4.834287\nZr Mn O\n2 2 6\ndirect\n0.203152 0.203213 0.390412 Zr\n0.703148 0.703220 0.890415 Zr\n0.983997 0.984083 0.047842 Mn\n0.484002 0.484051 0.547868 Mn\n0.417237 0.811434 0.687021 O\n0.811395 0.084292 0.687052 O\n0.917216 0.584310 0.187034 O\n0.084235 0.417253 0.687061 O\n0.311381 0.917288 0.187022 O\n0.584236 0.311460 0.187062 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Zr",
"density": 5.236698468312054,
"density_atomic": 0.08121161802394151,
"volume": 123.13509130001522,
"volume_molar": 7.415368523041431,
"formula_full": "Zr2 Mn2 O6",
"formula_reduced": "ZrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.814690448275861,
"spacegroup": 161
},
{
"id": "jvasp-102844",
"created_at": "2022-09-04T14:36:56.026734Z",
"updated_at": "2022-09-04T14:36:56.026744Z",
"structure_string": "Zr2 Mn2 O6\n1.0\n4.806304 0.000101 2.572317\n3.091471 4.490065 -0.000040\n0.028454 -0.019525 5.723271\nZr Mn O\n2 2 6\ndirect\n0.710279 0.144862 0.434580 Zr\n0.289718 0.855137 0.565425 Zr\n0.724316 0.637844 0.913534 Mn\n0.275685 0.362153 0.086465 Mn\n0.505383 0.446924 0.257969 O\n0.789725 0.763355 0.257969 O\n0.188959 0.047682 0.257960 O\n0.811042 0.952315 0.742040 O\n0.210274 0.236642 0.742031 O\n0.494616 0.553074 0.742031 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Zr",
"density": 5.241341036655505,
"density_atomic": 0.08128361577008632,
"volume": 123.02602320602182,
"volume_molar": 7.408800288896898,
"formula_full": "Zr2 Mn2 O6",
"formula_reduced": "ZrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8155304482758616,
"spacegroup": 148
},
{
"id": "jvasp-57945",
"created_at": "2022-09-04T14:36:46.479438Z",
"updated_at": "2022-09-04T14:36:46.479462Z",
"structure_string": "Mn4 Zn1 O8\n1.0\n2.930801 0.005218 0.001267\n1.446308 6.928087 -0.039887\n1.450887 0.681080 7.044280\nMn Zn O\n4 1 8\ndirect\n0.634214 0.174081 0.557853 Mn\n0.143401 0.501326 0.209017 Mn\n0.837500 0.486909 0.839830 Mn\n0.347012 0.803639 0.500520 Mn\n0.356263 0.113913 0.175117 Zn\n0.849018 0.675199 0.625801 O\n0.454967 0.341725 0.749284 O\n0.531042 0.641095 0.293552 O\n0.137354 0.305052 0.420191 O\n0.159550 0.019353 0.662054 O\n0.801398 0.315691 0.086554 O\n0.832274 0.980130 0.353397 O\n0.213497 0.617997 0.957477 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.796039541103717,
"density_atomic": 0.09087879214679827,
"volume": 143.04767584279563,
"volume_molar": 6.62656337935513,
"formula_full": "Mn4 Zn1 O8",
"formula_reduced": "Mn4ZnO8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.14671979734748,
"spacegroup": 8
},
{
"id": "jvasp-19372",
"created_at": "2022-09-04T14:38:36.751192Z",
"updated_at": "2022-09-04T14:38:36.751216Z",
"structure_string": "Mn4 Zn4 O12\n1.0\n5.038018 0.000000 0.000000\n0.000000 5.119533 0.000000\n0.000000 0.000000 7.325637\nMn Zn O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.996211 0.043360 0.250000 Zn\n0.496211 0.456639 0.750000 Zn\n0.503790 0.543360 0.250000 Zn\n0.003790 0.956639 0.750000 Zn\n0.183067 0.187731 0.938688 O\n0.683067 0.312269 0.061312 O\n0.316933 0.687731 0.938688 O\n0.816933 0.812269 0.061312 O\n0.183067 0.187731 0.561312 O\n0.385297 0.940066 0.250000 O\n0.114704 0.440066 0.250000 O\n0.614704 0.059933 0.750000 O\n0.316933 0.687731 0.561312 O\n0.885297 0.559933 0.750000 O\n0.683067 0.312269 0.438688 O\n0.816933 0.812269 0.438688 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 5.917993536872072,
"density_atomic": 0.10585089619884999,
"volume": 188.9450228406974,
"volume_molar": 5.689267617240473,
"formula_full": "Mn4 Zn4 O12",
"formula_reduced": "MnZnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7718256282758618,
"spacegroup": 62
},
{
"id": "jvasp-9824",
"created_at": "2022-09-04T14:38:33.296844Z",
"updated_at": "2022-09-04T14:38:33.296870Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n3.092833 -0.201508 -0.116275\n0.888672 7.999566 -0.179261\n1.155461 0.024575 8.325241\nMn Zn O\n4 4 8\ndirect\n0.049444 0.241709 0.414413 Mn\n0.299933 0.401153 0.770706 Mn\n0.724118 0.578765 0.201091 Mn\n0.974677 0.738204 0.557386 Mn\n0.671820 0.072071 0.726409 Zn\n0.352132 0.907847 0.245391 Zn\n0.269806 0.737352 0.872621 Zn\n0.754328 0.242550 0.099169 Zn\n0.521085 0.725945 0.404163 O\n0.209921 0.382542 0.211209 O\n0.814122 0.597373 0.760582 O\n0.503005 0.253983 0.567631 O\n0.828096 0.062623 0.255565 O\n0.781778 0.257348 0.873600 O\n0.195863 0.917298 0.716246 O\n0.242248 0.722569 0.098195 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.8510301849347695,
"density_atomic": 0.07670333671333564,
"volume": 208.59587973072155,
"volume_molar": 7.851210935590226,
"formula_full": "Mn4 Zn4 O8",
"formula_reduced": "MnZnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5329136603448272,
"spacegroup": 2
}
]
}