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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4379",
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"results": [
{
"id": "jvasp-66269",
"created_at": "2022-09-04T14:36:09.228510Z",
"updated_at": "2022-09-04T14:36:09.228537Z",
"structure_string": "Ba4 Mo1 Pb1\n1.0\n0.000000 4.973213 4.973213\n4.973213 0.000000 4.973213\n4.973213 4.973213 -0.000000\nBa Mo Pb\n4 1 1\ndirect\n0.123531 0.625489 0.625489 Ba\n0.625489 0.625489 0.625489 Ba\n0.625489 0.123531 0.625489 Ba\n0.625489 0.625489 0.123531 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Pb\n",
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"elements": [
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"formula_full": "Ba4 Mo1 Pb1",
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{
"id": "jvasp-66579",
"created_at": "2022-09-04T14:35:58.210664Z",
"updated_at": "2022-09-04T14:35:58.210678Z",
"structure_string": "Ba4 Mo1 P1\n1.0\n0.000000 4.859507 4.859507\n4.859507 -0.000000 4.859507\n4.859507 4.859507 -0.000000\nBa Mo P\n4 1 1\ndirect\n0.122729 0.625757 0.625757 Ba\n0.625757 0.625757 0.625757 Ba\n0.625757 0.122729 0.625757 Ba\n0.625757 0.625757 0.122729 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 P\n",
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"elements": [
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"chemical_system": "Ba-Mo-P",
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"formula_full": "Ba4 Mo1 P1",
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{
"id": "jvasp-66597",
"created_at": "2022-09-04T14:36:16.749559Z",
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"structure_string": "Ba4 Mo1 Ir1\n1.0\n-0.000000 4.712198 4.712198\n4.712198 0.000000 4.712198\n4.712198 4.712198 -0.000000\nBa Mo Ir\n4 1 1\ndirect\n0.126691 0.624436 0.624436 Ba\n0.624436 0.624436 0.624436 Ba\n0.624436 0.126691 0.624436 Ba\n0.624436 0.624436 0.126691 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ba-Ir-Mo",
"density": 6.645308933921945,
"density_atomic": 0.02867151640314033,
"volume": 209.26692246186298,
"volume_molar": 21.003914391289076,
"formula_full": "Ba4 Mo1 Ir1",
"formula_reduced": "Ba4MoIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.015630146666666,
"spacegroup": 216
},
{
"id": "jvasp-64715",
"created_at": "2022-09-04T14:35:42.221295Z",
"updated_at": "2022-09-04T14:35:42.221325Z",
"structure_string": "Ba4 Mo1 Cl1\n1.0\n0.000000 4.883512 4.883512\n4.883512 0.000000 4.883512\n4.883512 4.883512 0.000000\nBa Mo Cl\n4 1 1\ndirect\n0.122624 0.625791 0.625791 Ba\n0.625791 0.625791 0.625791 Ba\n0.625791 0.122624 0.625791 Ba\n0.625791 0.625791 0.122624 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"Cl"
],
"chemical_system": "Ba-Cl-Mo",
"density": 4.852647139767155,
"density_atomic": 0.025758731787720156,
"volume": 232.9307222671713,
"volume_molar": 23.37902661368953,
"formula_full": "Ba4 Mo1 Cl1",
"formula_reduced": "Ba4MoCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.08720064125,
"spacegroup": 216
},
{
"id": "jvasp-64752",
"created_at": "2022-09-04T14:36:04.597932Z",
"updated_at": "2022-09-04T14:36:04.597953Z",
"structure_string": "Ba4 Mo1 Br1\n1.0\n0.000000 5.072560 5.072560\n5.072560 0.000000 5.072560\n5.072560 5.072560 0.000000\nBa Mo Br\n4 1 1\ndirect\n0.123762 0.625413 0.625413 Ba\n0.625413 0.625413 0.625413 Ba\n0.625413 0.123762 0.625413 Ba\n0.625413 0.625413 0.123762 Ba\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mo",
"Br"
],
"chemical_system": "Ba-Br-Mo",
"density": 4.612820687319478,
"density_atomic": 0.02298474429301252,
"volume": 261.0427126580665,
"volume_molar": 26.200599333318504,
"formula_full": "Ba4 Mo1 Br1",
"formula_reduced": "Ba4MoBr",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64549",
"created_at": "2022-09-04T14:35:59.167967Z",
"updated_at": "2022-09-04T14:35:59.167992Z",
"structure_string": "Ba4 Mn1 Zn1\n1.0\n0.000000 4.897982 4.897982\n4.897982 0.000000 4.897982\n4.897982 4.897982 0.000000\nBa Mn Zn\n4 1 1\ndirect\n0.126328 0.624557 0.624557 Ba\n0.624557 0.624557 0.624557 Ba\n0.624557 0.126328 0.624557 Ba\n0.624557 0.624557 0.126328 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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"elements": [
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"Zn"
],
"chemical_system": "Ba-Mn-Zn",
"density": 4.731716243818382,
"density_atomic": 0.025531110214961555,
"volume": 235.0074066298897,
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"formula_full": "Ba4 Mn1 Zn1",
"formula_reduced": "Ba4MnZn",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-64090",
"created_at": "2022-09-04T14:35:42.117437Z",
"updated_at": "2022-09-04T14:35:42.117459Z",
"structure_string": "Ba4 Mn1 W1\n1.0\n0.000000 4.804736 4.804736\n4.804736 -0.000000 4.804736\n4.804736 4.804736 -0.000000\nBa Mn W\n4 1 1\ndirect\n0.124523 0.625160 0.625160 Ba\n0.625160 0.625160 0.625160 Ba\n0.625160 0.124523 0.625160 Ba\n0.625160 0.625160 0.124523 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"elements": [
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"Mn",
"W"
],
"chemical_system": "Ba-Mn-W",
"density": 5.899078142277846,
"density_atomic": 0.027046599161120694,
"volume": 221.8393508276989,
"volume_molar": 22.26579661319042,
"formula_full": "Ba4 Mn1 W1",
"formula_reduced": "Ba4MnW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.378078520229885,
"spacegroup": 216
},
{
"id": "jvasp-66144",
"created_at": "2022-09-04T14:36:02.458324Z",
"updated_at": "2022-09-04T14:36:02.458352Z",
"structure_string": "Ba4 Mn1 V1\n1.0\n0.000000 4.979951 4.979951\n4.979951 -0.000000 4.979951\n4.979951 4.979951 0.000000\nBa Mn V\n4 1 1\ndirect\n0.124337 0.625221 0.625221 Ba\n0.625221 0.625221 0.625221 Ba\n0.625221 0.124337 0.625221 Ba\n0.625221 0.625221 0.124337 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 V\n",
"nsites": 6,
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"elements": [
"Ba",
"Mn",
"V"
],
"chemical_system": "Ba-Mn-V",
"density": 4.404630949684671,
"density_atomic": 0.024291036470194333,
"volume": 247.00469275414162,
"volume_molar": 24.79161713576655,
"formula_full": "Ba4 Mn1 V1",
"formula_reduced": "Ba4MnV",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.6342475535632184,
"spacegroup": 216
},
{
"id": "jvasp-64424",
"created_at": "2022-09-04T14:35:41.064731Z",
"updated_at": "2022-09-04T14:35:41.064760Z",
"structure_string": "Ba4 Mn1 Tl1\n1.0\n-0.000000 4.975966 4.975966\n4.975966 0.000000 4.975966\n4.975966 4.975966 0.000000\nBa Mn Tl\n4 1 1\ndirect\n0.125124 0.624959 0.624959 Ba\n0.624959 0.624959 0.624959 Ba\n0.624959 0.125124 0.624959 Ba\n0.624959 0.624959 0.125124 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 6,
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"elements": [
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"Mn",
"Tl"
],
"chemical_system": "Ba-Mn-Tl",
"density": 5.449245658593589,
"density_atomic": 0.02434944361551216,
"volume": 246.41220122900938,
"volume_molar": 24.732149346375657,
"formula_full": "Ba4 Mn1 Tl1",
"formula_reduced": "Ba4MnTl",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.650060620229885,
"spacegroup": 216
},
{
"id": "jvasp-64511",
"created_at": "2022-09-04T14:36:20.418016Z",
"updated_at": "2022-09-04T14:36:20.418043Z",
"structure_string": "Ba4 Mn1 Te1\n1.0\n-0.000000 4.959628 4.959628\n4.959628 -0.000000 4.959628\n4.959628 4.959628 -0.000000\nBa Mn Te\n4 1 1\ndirect\n0.125284 0.624906 0.624906 Ba\n0.624906 0.624906 0.624906 Ba\n0.624906 0.125284 0.624906 Ba\n0.624906 0.624906 0.125284 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
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"Mn",
"Te"
],
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"density": 4.980713057570613,
"density_atomic": 0.024590872902695557,
"volume": 243.99296534700494,
"volume_molar": 24.489333029491103,
"formula_full": "Ba4 Mn1 Te1",
"formula_reduced": "Ba4MnTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8902281480076627,
"spacegroup": 216
},
{
"id": "jvasp-66508",
"created_at": "2022-09-04T14:36:13.781806Z",
"updated_at": "2022-09-04T14:36:13.781831Z",
"structure_string": "Ba4 Mn1 Tc1\n1.0\n-0.000000 4.879388 4.879388\n4.879388 -0.000000 4.879388\n4.879388 4.879388 -0.000000\nBa Mn Tc\n4 1 1\ndirect\n0.123597 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123597 0.625468 Ba\n0.625468 0.625468 0.123597 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.018943912549567,
"density_atomic": 0.025824099915035044,
"volume": 232.34110848938982,
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"formula_full": "Ba4 Mn1 Tc1",
"formula_reduced": "Ba4MnTc",
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"spacegroup": 216
},
{
"id": "jvasp-64077",
"created_at": "2022-09-04T14:36:11.256060Z",
"updated_at": "2022-09-04T14:36:11.256075Z",
"structure_string": "Ba4 Mn1 Sn1\n1.0\n-0.000000 4.935329 4.935329\n4.935329 0.000000 4.935329\n4.935329 4.935329 0.000000\nBa Mn Sn\n4 1 1\ndirect\n0.124110 0.625297 0.625297 Ba\n0.625297 0.625297 0.625297 Ba\n0.625297 0.124110 0.625297 Ba\n0.625297 0.625297 0.124110 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Mn-Sn",
"density": 4.993242613331329,
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"volume": 240.42427919523726,
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"formula_full": "Ba4 Mn1 Sn1",
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"spacegroup": 216
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}